| 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 | 36.8 | Very low | 35.9 | Very low | 216 Ų | 216 | 180.1 Ų | 180.1 | 100% | 1.064 | 84% | 0.837 | S | S | * | * | 0 | 118.3 | 0 | -89.1 | 174.2 | -177.8 | 0 | 0 | 107.2 | W3 | M1-W3 PolarHBondContact O-N 3Å; M1-W3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | V | 34.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 176.6 Ų | 176.6 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -70.2 | 106.1 | 172.5 | 178.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | W | 35.5 | Very low | 42.1 | Very low | 222 Ų | 222 | 167 Ų | 167 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -93.2 | 124.6 | 164 | -79.2 | 46.9 | 0 | 0 | 0 | 106.3 | M1 R5 | M1-W3 PolarHBondContact O-N 3Å; M1-W3 VanDerWaalsContact O-N 3.16Å; W3-R5 PolarHBondContact O-N 3.14Å | ||
| 4 | D | 35.3 | Very low | 45.2 | Very low | 140 Ų | 140 | 166.4 Ų | 166.4 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -46.6 | 121.7 | -171.9 | -141.9 | -13.5 | 0 | 0 | 0 | 111.2 | Q6 | D4-Q6 PolarHBondContact O-N 2.97Š| ||
| 5 | R | 35.3 | Very low | 48.1 | Very low | 237 Ų | 237 | 157.3 Ų | 157.3 | 89% | 0.894 | 73% | 0.729 | S | S | * | * | trans | -73.8 | 79.1 | 162.9 | -76.9 | -176.1 | 178.5 | -175.8 | -1.3 | 106.2 | W3 T7 | W3-R5 PolarHBondContact O-N 3.14Å; R5-T7 PolarHBondContact O-N 2.7Å | ||
| 6 | Q | 31.2 | Very low | 50.8 | Low | 166 Ų | 166 | 152.9 Ų | 152.9 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -62 | 94.5 | 153.3 | -83 | -176.3 | -12.6 | 0 | 0 | 106.3 | D4 K8 | D4-Q6 PolarHBondContact O-N 2.97Å; Q6-K8 PolarHBondContact O-N 3.12Å | ||
| 7 | T | 31.3 | Very low | 53.1 | Low | 126 Ų | 126 | 153 Ų | 153 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -45.5 | 99.7 | 148.9 | 9.9 | 0 | 0 | 0 | 0 | 106.3 | R5 M9 | R5-T7 PolarHBondContact O-N 2.7Å; T7-M9 PolarHBondContact O-N 3.2Å | ||
| 8 | K | 35.4 | Very low | 55.1 | Low | 185 Ų | 185 | 152.2 Ų | 152.2 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -58 | 93.6 | 155.7 | -83.5 | -174.5 | 174.2 | -175.5 | 0 | 104.6 | Q6 E10 | Q6-K8 PolarHBondContact O-N 3.12Å; K8-E10 PolarHBondContact O-N 2.8Å | ||
| 9 | M | 30.8 | Very low | 56.9 | Low | 154 Ų | 154 | 145.2 Ų | 145.2 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -62.4 | 95.1 | 156.5 | -84 | 178.8 | 120.7 | 0 | 0 | 104.4 | T7 Y11 | T7-M9 PolarHBondContact O-N 3.2Å; M9-Y11 PolarHBondContact O-N 3.07Å | ||
| 10 | E | 42.5 | Very low | 58.7 | Low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -61.4 | 96.8 | 163.9 | -74.5 | 176.2 | 172.7 | 0 | 0 | 105.9 | K8 E12 | K8-E10 PolarHBondContact O-N 2.8Å; E10-E12 PolarHBondContact O-N 3.35Å | ||
| 11 | Y | 45.8 | Very low | 60.3 | Low | 211 Ų | 211 | 138.9 Ų | 138.9 | 83% | 0.827 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 92.8 | 164.4 | -90.5 | -91 | 0 | 0 | 0 | 106.3 | M9 W13 | M9-Y11 PolarHBondContact O-N 3.07Å; Y11-W13 PolarHBondContact O-N 2.77Å | ||
| 12 | E | 68 | Low | 62.9 | Low | 138 Ų | 138 | 135 Ų | 135 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | trans | -62.8 | 107.5 | 171.4 | -160.1 | -179 | -165.4 | 0 | 0 | 107.2 | E10 K14 | E10-E12 PolarHBondContact O-N 3.35Å; E12-K14 PolarHBondContact O-N 3.25Å | ||
| 13 | W | 84.1 | Confident | 65.7 | Low | 52 Ų | 52 | 128.4 Ų | 128.4 | 20% | 0.197 | 59% | 0.591 | C | S | . | * | trans | -56.9 | 134.5 | 179.2 | 179.3 | 94.9 | 0 | 0 | 0 | 109.4 | Y11 P15 N56 Y57 F60 F98 | Y11-W13 PolarHBondContact O-N 2.77Å; W13-P15 HydrophobicContact CH2-CB 3.61Å; W13-P15 HydrophobicContact CH2-CG 4.42Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 3.92Å; W13-P15 HydrophobicContact CZ3-CG 4.24Å; W13-N56 VanDerWaalsContact CD1-ND2 3.29Å; W13-N56 HydrophobicContact CD2-CB 3.76Å; W13-N56 VanDerWaalsContact CE2-CB 3.42Å; W13-N56 HydrophobicContact CE3-CB 4.1Å; W13-N56 HydrophobicContact CG-CB 4.38Å; W13-N56 HydrophobicContact CH2-CB 3.85Å; W13-N56 HydrophobicContact CZ2-CB 3.49Å; W13-N56 VanDerWaalsContact CZ2-CB 3.49Å; W13-N56 HydrophobicContact CZ3-CB 4.15Å; W13-N56 PolarHBondContact NE1-ND2 3.28Å; W13-Y57 AromaticContact CH2-CD1 3.88Å; W13-Y57 HydrophobicContact CH2-CD1 3.88Å; W13-Y57 AromaticContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CE1 4.11Å; W13-Y57 HydrophobicContact CH2-CE2 4.19Å; W13-Y57 AromaticContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CZ2-CD1 4.32Å; W13-Y57 AromaticContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CE1 4.25Å; W13-Y57 AromaticContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CG 4.05Å; W13-Y57 AromaticContact CZ2-CZ 3.9Å; W13-F60 HydrophobicContact CE3-CD2 4.49Å; W13-F60 HydrophobicContact CH2-CB 4.4Å; W13-F60 HydrophobicContact CZ3-CB 3.76Å; W13-F60 AromaticContact CZ3-CD2 3.91Å; W13-F60 HydrophobicContact CZ3-CD2 3.91Å; W13-F60 AromaticContact CZ3-CG 3.95Å; W13-F60 HydrophobicContact CZ3-CG 3.95Å; W13-F98 HydrophobicContact CB-CD2 4.42Å; W13-F98 HydrophobicContact CB-CE2 4.18Å; W13-F98 HydrophobicContact CB-CZ 4.33Å; W13-F98 HydrophobicContact CD2-CE1 4.39Å; W13-F98 HydrophobicContact CD2-CZ 4.46Å; W13-F98 AromaticContact CE3-CE1 3.92Å; W13-F98 HydrophobicContact CE3-CE1 3.92Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.48Å | ||
| 14 | K | 85.8 | Confident | 68.4 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | trans | -126.7 | 137.3 | 175.8 | -68.9 | -174.2 | 179.6 | -176.5 | 0 | 109.2 | E12 | E12-K14 PolarHBondContact O-N 3.25Š| ||
| 15 | P | 88.7 | Confident | 71.2 | Confident | 29 Ų | 29 | 117 Ų | 117 | 19% | 0.188 | 54% | 0.543 | C | S | . | . | trans | -67.1 | 146.4 | 176.7 | 28.6 | -34.2 | 0 | 0 | 0 | 110.7 | W13 L20 Y57 F60 | W13-P15 HydrophobicContact CH2-CB 3.61Å; W13-P15 HydrophobicContact CH2-CG 4.42Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 3.92Å; W13-P15 HydrophobicContact CZ3-CG 4.24Å; P15-L20 HydrophobicContact CB-CB 4.24Å; P15-L20 HydrophobicContact CB-CD2 4.34Å; P15-L20 HydrophobicContact CG-CD2 4.1Å; P15-Y57 HydrophobicContact CB-CD1 3.8Å; P15-Y57 HydrophobicContact CB-CE1 3.5Å; P15-Y57 VanDerWaalsContact CB-CE1 3.5Å; P15-F60 HydrophobicContact CG-CD1 4.03Å; P15-F60 HydrophobicContact CG-CD2 4.29Å; P15-F60 HydrophobicContact CG-CE1 3.71Å; P15-F60 HydrophobicContact CG-CE2 3.98Å; P15-F60 HydrophobicContact CG-CG 4.32Å; P15-F60 HydrophobicContact CG-CZ 3.69Å | ||
| 16 | D | 91.3 | Very high | 73.9 | Confident | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | trans | -69.7 | 132.9 | 160 | 176.4 | 73.6 | 0 | 0 | 0 | 109.5 | Q18 G19 L20 Y57 | D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 3.4Å; D16-Q18 WeakPolarHBondContact OD2-CA 3.39Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.29Å; D16-Q18 PolarHBondContact OD2-N 3.31Å; D16-G19 PolarHBondContact O-N 3.23Å; D16-G19 PolarHBondContact OD2-N 3.24Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.19Å; D16-Y57 WeakPolarHBondContact CB-OH 3.47Å; D16-Y57 PolarHBondContact N-OH 3.48Å; D16-Y57 VanDerWaalsContact N-OH 3.12Å | ||
| 17 | E | 90.3 | Very high | 76.9 | Confident | 154 Ų | 154 | 98.2 Ų | 98.2 | 72% | 0.72 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.9 | -35.2 | -175 | -71.3 | -174.2 | 173.5 | 0 | 0 | 112.6 | Q21 | E17-Q21 WeakPolarHBondContact O-CG 3.23Å; E17-Q21 PolarHBondContact O-N 2.88Å; E17-Q21 VanDerWaalsContact O-N 3.12Å |
| 18 | Q | 89.2 | Confident | 79.8 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.7 | -44.2 | 178.1 | -63 | -175.4 | -0.6 | 0 | 0 | 110.8 | D16 L20 Q21 Q22 | D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 3.4Å; D16-Q18 WeakPolarHBondContact OD2-CA 3.39Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.29Å; D16-Q18 PolarHBondContact OD2-N 3.31Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 2.89Å; Q18-Q21 PolarHBondContact O-N 3.15Å; Q18-Q22 WeakPolarHBondContact O-CG 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å; Q18-Q22 VanDerWaalsContact O-N 3.12Å |
| 19 | G | 88.8 | Confident | 82.4 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 19% | 0.186 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D16 Q21 Q22 I23 | D16-G19 PolarHBondContact O-N 3.23Å; D16-G19 PolarHBondContact OD2-N 3.24Å; G19-Q21 PolarHBondContact O-N 3.19Å; G19-Q22 PolarHBondContact O-N 3.08Å; G19-I23 WeakPolarHBondContact O-CG1 3.22Å; G19-I23 PolarHBondContact O-N 3.13Å |
| 20 | L | 92.6 | Very high | 85.3 | Confident | 22 Ų | 22 | 83.8 Ų | 83.8 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.7 | -176.6 | 61.8 | 0 | 0 | 0 | 112.1 | P15 D16 Q18 Q22 I23 L24 Y57 F60 V61 L65 | P15-L20 HydrophobicContact CB-CB 4.24Å; P15-L20 HydrophobicContact CB-CD2 4.34Å; P15-L20 HydrophobicContact CG-CD2 4.1Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.19Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 2.89Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.96Å; L20-I23 PolarHBondContact O-N 3.39Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.21Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.89Å; L20-Y57 HydrophobicContact CB-CD1 4.32Å; L20-Y57 HydrophobicContact CB-CE1 4.33Å; L20-Y57 HydrophobicContact CD1-CD1 4.3Å; L20-F60 HydrophobicContact CD1-CD1 4.24Å; L20-F60 HydrophobicContact CD2-CE1 4.02Å; L20-V61 HydrophobicContact CD1-CG2 3.72Å; L20-L65 HydrophobicContact CD1-CD2 4.43Å; L20-L65 HydrophobicContact CD2-CD2 4.5Å |
| 21 | Q | 92.5 | Very high | 87.4 | Confident | 136 Ų | 136 | 79.6 Ų | 79.6 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 177.1 | -75.6 | 179.6 | 1.6 | 0 | 0 | 112.6 | E17 Q18 G19 L24 Q25 | E17-Q21 WeakPolarHBondContact O-CG 3.23Å; E17-Q21 PolarHBondContact O-N 2.88Å; E17-Q21 VanDerWaalsContact O-N 3.12Å; Q18-Q21 PolarHBondContact O-N 3.15Å; G19-Q21 PolarHBondContact O-N 3.19Å; Q21-L24 PolarHBondContact O-N 3.06Å; Q21-Q25 WeakPolarHBondContact O-CB 3.48Å; Q21-Q25 PolarHBondContact O-N 3.45Å |
| 22 | Q | 91.4 | Very high | 89.5 | Confident | 136 Ų | 136 | 70.8 Ų | 70.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 176 | -69.9 | 178.5 | 15.8 | 0 | 0 | 111.9 | Q18 G19 L20 Q25 L26 | Q18-Q22 WeakPolarHBondContact O-CG 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å; Q18-Q22 VanDerWaalsContact O-N 3.12Å; G19-Q22 PolarHBondContact O-N 3.08Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.96Å; Q22-Q25 PolarHBondContact O-N 2.93Å; Q22-L26 PolarHBondContact O-N 3.48Å |
| 23 | I | 93 | Very high | 90.3 | Very high | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 177.8 | -67.6 | 171.6 | 0 | 0 | 0 | 110.8 | G19 L20 Q25 L26 L27 F54 Y57 L58 | G19-I23 WeakPolarHBondContact O-CG1 3.22Å; G19-I23 PolarHBondContact O-N 3.13Å; L20-I23 PolarHBondContact O-N 3.39Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.41Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.9Å; I23-L26 VanDerWaalsContact O-N 3.16Å; I23-L27 HydrophobicContact CG2-CD1 4.04Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.2Å; I23-F54 HydrophobicContact CD1-CD2 3.79Å; I23-F54 HydrophobicContact CD1-CE2 3.9Å; I23-F54 HydrophobicContact CG1-CD2 4.36Å; I23-F54 HydrophobicContact CG1-CE2 4.03Å; I23-F54 HydrophobicContact CG2-CE2 4.4Å; I23-Y57 HydrophobicContact CD1-CD1 3.67Å; I23-Y57 HydrophobicContact CD1-CD2 3.88Å; I23-Y57 HydrophobicContact CD1-CE1 4.46Å; I23-Y57 HydrophobicContact CD1-CG 3.34Å; I23-L58 HydrophobicContact CG2-CD2 4.48Å |
| 24 | L | 93.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 174.9 | -71.2 | 174.4 | 0 | 0 | 0 | 112.3 | L20 Q21 L26 L27 K28 V61 L65 E68 | L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.21Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.89Å; Q21-L24 PolarHBondContact O-N 3.06Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 2.89Å; L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.1Å; L24-V61 HydrophobicContact CD2-CG1 4.19Å; L24-V61 HydrophobicContact CD2-CG2 4.11Å; L24-L65 HydrophobicContact CD1-CD2 3.82Å; L24-L65 HydrophobicContact CD2-CD2 3.72Å; L24-L65 HydrophobicContact CG-CD2 4.26Å; L24-E68 HydrophobicContact CD2-CG 3.75Å |
| 25 | Q | 92.8 | Very high | 90.6 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.2 | -178.2 | 58.6 | 31.4 | 0 | 0 | 111.2 | Q21 Q22 I23 K28 E29 | Q21-Q25 WeakPolarHBondContact O-CB 3.48Å; Q21-Q25 PolarHBondContact O-N 3.45Å; Q22-Q25 PolarHBondContact O-N 2.93Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.41Å; Q25-K28 PolarHBondContact O-N 2.98Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 3.26Å; Q25-E29 WeakPolarHBondContact O-CB 3.35Å; Q25-E29 WeakPolarHBondContact O-CG 3.5Å; Q25-E29 PolarHBondContact O-N 3.31Å |
| 26 | L | 93.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.3 | -177.1 | 68.3 | 0 | 0 | 0 | 112.6 | Q22 I23 L24 K28 E29 S30 V41 K44 L45 L48 | Q22-L26 PolarHBondContact O-N 3.48Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.9Å; I23-L26 VanDerWaalsContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.38Å; L26-E29 PolarHBondContact O-N 3.44Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-V41 HydrophobicContact CD1-CB 4.21Å; L26-V41 HydrophobicContact CD1-CG1 4.14Å; L26-V41 HydrophobicContact CD1-CG2 4.01Å; L26-K44 HydrophobicContact CD1-CB 3.75Å; L26-K44 HydrophobicContact CD1-CD 3.63Å; L26-K44 HydrophobicContact CD1-CG 4.38Å; L26-K44 HydrophobicContact CD2-CB 4.36Å; L26-L45 HydrophobicContact CD2-CD2 3.59Å; L26-L45 HydrophobicContact CD2-CG 4.08Å; L26-L45 HydrophobicContact CG-CD2 4.4Å; L26-L48 HydrophobicContact CD2-CD1 3.38Å |
| 27 | L | 93.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 177.4 | -69.1 | 171.1 | 0 | 0 | 0 | 112 | I23 L24 S30 Q31 V61 T72 L75 I79 | I23-L27 HydrophobicContact CG2-CD1 4.04Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.2Å; L24-L27 PolarHBondContact O-N 2.89Å; L27-S30 WeakPolarHBondContact O-CB 3.14Å; L27-S30 PolarHBondContact O-N 3.41Å; L27-Q31 PolarHBondContact O-NE2 3.24Å; L27-V61 HydrophobicContact CD1-CB 4.46Å; L27-V61 HydrophobicContact CD1-CG1 3.84Å; L27-V61 HydrophobicContact CD1-CG2 4.43Å; L27-T72 HydrophobicContact CB-CG2 4.02Å; L27-T72 HydrophobicContact CD1-CG2 4.35Å; L27-L75 HydrophobicContact CD2-CG 4.39Å; L27-L75 WeakPolarHBondContact O-CD2 3.47Å; L27-I79 HydrophobicContact CD2-CD1 3.56Å |
| 28 | K | 91.3 | Very high | 90.3 | Very high | 92 Ų | 92 | 66.4 Ų | 66.4 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 173.4 | -72.4 | 171 | -177.8 | 169.9 | 0 | 111.4 | L24 Q25 L26 S30 Q31 E68 | L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.1Å; Q25-K28 PolarHBondContact O-N 2.98Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.38Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.21Å; K28-Q31 PolarHBondContact O-N 3.04Å; K28-E68 WeakPolarHBondContact CE-OE2 3.3Å; K28-E68 IonicContact NZ-OE1 3.88Å; K28-E68 IonicContact NZ-OE2 2.78Å; K28-E68 PolarHBondContact NZ-OE2 3.41Å |
| 29 | E | 91.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 68.3 Ų | 68.3 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 172.4 | -76 | 171.1 | -166.5 | 0 | 0 | 112 | Q25 L26 Q31 S32 I37 V41 K44 | Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 3.26Å; Q25-E29 WeakPolarHBondContact O-CB 3.35Å; Q25-E29 WeakPolarHBondContact O-CG 3.5Å; Q25-E29 PolarHBondContact O-N 3.31Å; L26-E29 PolarHBondContact O-N 3.44Å; E29-Q31 PolarHBondContact O-N 2.8Å; E29-S32 WeakPolarHBondContact O-CB 3.46Å; E29-S32 PolarHBondContact O-N 3.36Å; E29-I37 HydrophobicContact CB-CG2 3.86Å; E29-I37 HydrophobicContact CG-CG2 4.3Å; E29-I37 WeakPolarHBondContact O-CG2 3.49Å; E29-V41 HydrophobicContact CB-CG2 3.66Å; E29-K44 IonicContact OE2-NZ 3.17Å; E29-K44 PolarHBondContact OE2-NZ 3.39Å |
| 30 | S | 90 | Very high | 90.2 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.6 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | L26 L27 K28 S32 V41 | L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.25Å; L27-S30 WeakPolarHBondContact O-CB 3.14Å; L27-S30 PolarHBondContact O-N 3.41Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.21Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S30-V41 WeakPolarHBondContact OG-CG1 3.37Å |
| 31 | Q | 88 | Confident | 90 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.1 | 176.1 | -65.1 | 173 | 65.4 | 0 | 0 | 112.4 | L27 K28 E29 T72 L75 | L27-Q31 PolarHBondContact O-NE2 3.24Å; K28-Q31 PolarHBondContact O-N 3.04Å; E29-Q31 PolarHBondContact O-N 2.8Å; Q31-T72 PolarHBondContact NE2-OG1 3.35Å; Q31-L75 HydrophobicContact CG-CD2 3.6Å |
| 32 | S | 88.6 | Confident | 89.8 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | trans | -70.4 | 137.3 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | E29 S30 D34 Q38 | E29-S32 WeakPolarHBondContact O-CB 3.46Å; E29-S32 PolarHBondContact O-N 3.36Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 3.18Å; S32-D34 WeakPolarHBondContact OG-CB 3.39Å; S32-D34 PolarHBondContact OG-N 3.16Å; S32-Q38 PolarHBondContact O-NE2 2.98Å | ||
| 33 | P | 85.4 | Confident | 89.7 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 79% | 0.786 | 34% | 0.341 | S | S | * | . | trans | -74.5 | -6.8 | 170.5 | 31.8 | -35.2 | 0 | 0 | 0 | 113.2 | T35 | P33-T35 PolarHBondContact O-N 2.92Š| ||
| 34 | D | 89.6 | Confident | 89.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 35% | 0.354 | S | S | . | . | trans | -74.4 | 117.5 | -178.9 | -175.2 | -42.3 | 0 | 0 | 0 | 111.6 | S32 T36 I37 Q38 | S32-D34 PolarHBondContact O-N 3.18Å; S32-D34 WeakPolarHBondContact OG-CB 3.39Å; S32-D34 PolarHBondContact OG-N 3.16Å; D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 2.84Å; D34-T36 WeakPolarHBondContact OD1-CA 3.48Å; D34-T36 WeakPolarHBondContact OD1-CB 3.25Å; D34-T36 PolarHBondContact OD1-N 2.96Å; D34-T36 PolarHBondContact OD1-OG1 3.34Å; D34-I37 HydrophobicContact CB-CB 4.02Å; D34-I37 HydrophobicContact CB-CD1 3.82Å; D34-I37 HydrophobicContact CB-CG1 3.84Å; D34-I37 WeakPolarHBondContact O-CB 3.26Å; D34-I37 PolarHBondContact O-N 3.21Å; D34-I37 VanDerWaalsContact O-N 3.09Å; D34-I37 PolarHBondContact OD1-N 3.07Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.87Å | ||
| 35 | T | 87.2 | Confident | 89.4 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | -179.6 | -45.5 | 0 | 0 | 0 | 0 | 113.6 | P33 Q38 R39 | P33-T35 PolarHBondContact O-N 2.92Å; T35-Q38 PolarHBondContact O-N 3.19Å; T35-R39 WeakPolarHBondContact O-CG 3Å; T35-R39 PolarHBondContact O-N 3.01Å |
| 36 | T | 89.2 | Confident | 89.1 | Confident | 99 Ų | 99 | 70 Ų | 70 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.9 | -41.1 | 177.7 | -48.4 | 0 | 0 | 0 | 0 | 110.4 | D34 T40 | D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 2.84Å; D34-T36 WeakPolarHBondContact OD1-CA 3.48Å; D34-T36 WeakPolarHBondContact OD1-CB 3.25Å; D34-T36 PolarHBondContact OD1-N 2.96Å; D34-T36 PolarHBondContact OD1-OG1 3.34Å; T36-T40 WeakPolarHBondContact O-CB 3.47Å; T36-T40 PolarHBondContact O-N 2.86Å; T36-T40 VanDerWaalsContact O-N 3.07Å; T36-T40 PolarHBondContact O-OG1 3.19Å |
| 37 | I | 88.2 | Confident | 88.9 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.6 | -61.9 | -178.8 | 0 | 0 | 0 | 109.5 | E29 D34 R39 T40 V41 | E29-I37 HydrophobicContact CB-CG2 3.86Å; E29-I37 HydrophobicContact CG-CG2 4.3Å; E29-I37 WeakPolarHBondContact O-CG2 3.49Å; D34-I37 HydrophobicContact CB-CB 4.02Å; D34-I37 HydrophobicContact CB-CD1 3.82Å; D34-I37 HydrophobicContact CB-CG1 3.84Å; D34-I37 WeakPolarHBondContact O-CB 3.26Å; D34-I37 PolarHBondContact O-N 3.21Å; D34-I37 VanDerWaalsContact O-N 3.09Å; D34-I37 PolarHBondContact OD1-N 3.07Å; I37-R39 PolarHBondContact O-N 3.28Å; I37-T40 CarbonylContact O-C 3.5Å; I37-T40 WeakPolarHBondContact O-CB 3.16Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.12Å; I37-V41 HydrophobicContact CG2-CG2 4.15Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.23Å; I37-V41 PolarHBondContact O-N 3.04Å |
| 38 | Q | 86.5 | Confident | 88.8 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.2 | -70.5 | -177.9 | -0.6 | 0 | 0 | 113.2 | S32 D34 T35 T40 V41 Q42 | S32-Q38 PolarHBondContact O-NE2 2.98Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.87Å; T35-Q38 PolarHBondContact O-N 3.19Å; Q38-T40 VanDerWaalsContact C-N 3.33Å; Q38-T40 PolarHBondContact O-N 3.2Å; Q38-V41 WeakPolarHBondContact O-CB 3.17Å; Q38-V41 PolarHBondContact O-N 2.93Å; Q38-Q42 WeakPolarHBondContact O-CB 3.45Å; Q38-Q42 PolarHBondContact O-N 3.37Å |
| 39 | R | 86.5 | Confident | 88.6 | Confident | 178 Ų | 178 | 74.9 Ų | 74.9 | 67% | 0.672 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 173.6 | -76 | 179.8 | -177.6 | 179.9 | 1.6 | 112.2 | T35 I37 Q42 Q43 | T35-R39 WeakPolarHBondContact O-CG 3Å; T35-R39 PolarHBondContact O-N 3.01Å; I37-R39 PolarHBondContact O-N 3.28Å; R39-Q42 PolarHBondContact O-N 3.42Å; R39-Q43 WeakPolarHBondContact O-CG 3.37Å; R39-Q43 PolarHBondContact O-N 3.18Å; R39-Q43 VanDerWaalsContact O-N 3.1Å |
| 40 | T | 88.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 34% | 0.344 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.9 | -55.2 | 0 | 0 | 0 | 0 | 111 | T36 I37 Q38 Q43 K44 | T36-T40 WeakPolarHBondContact O-CB 3.47Å; T36-T40 PolarHBondContact O-N 2.86Å; T36-T40 VanDerWaalsContact O-N 3.07Å; T36-T40 PolarHBondContact O-OG1 3.19Å; I37-T40 CarbonylContact O-C 3.5Å; I37-T40 WeakPolarHBondContact O-CB 3.16Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.12Å; Q38-T40 VanDerWaalsContact C-N 3.33Å; Q38-T40 PolarHBondContact O-N 3.2Å; T40-Q43 PolarHBondContact O-N 3.24Å; T40-K44 HydrophobicContact CG2-CD 4.39Å; T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 3.38Å |
| 41 | V | 89.3 | Confident | 88.1 | Confident | 8 Ų | 8 | 85.6 Ų | 85.6 | 5% | 0.048 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 174.4 | 164 | 0 | 0 | 0 | 0 | 110.4 | L26 E29 S30 I37 Q38 Q43 K44 L45 | L26-V41 HydrophobicContact CD1-CB 4.21Å; L26-V41 HydrophobicContact CD1-CG1 4.14Å; L26-V41 HydrophobicContact CD1-CG2 4.01Å; E29-V41 HydrophobicContact CB-CG2 3.66Å; S30-V41 WeakPolarHBondContact OG-CG1 3.37Å; I37-V41 HydrophobicContact CG2-CG2 4.15Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.23Å; I37-V41 PolarHBondContact O-N 3.04Å; Q38-V41 WeakPolarHBondContact O-CB 3.17Å; Q38-V41 PolarHBondContact O-N 2.93Å; V41-Q43 PolarHBondContact O-N 3.3Å; V41-K44 PolarHBondContact O-N 3.17Å; V41-K44 VanDerWaalsContact O-N 3.16Å; V41-L45 HydrophobicContact CG1-CD1 3.8Å; V41-L45 HydrophobicContact CG1-CG 4.22Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.1Å |
| 42 | Q | 87.4 | Confident | 87.5 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 179.5 | -177.9 | 60.6 | 29.5 | 0 | 0 | 111.6 | Q38 R39 K44 L45 E46 | Q38-Q42 WeakPolarHBondContact O-CB 3.45Å; Q38-Q42 PolarHBondContact O-N 3.37Å; R39-Q42 PolarHBondContact O-N 3.42Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.43Å; Q42-L45 PolarHBondContact O-N 3.11Å; Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.42Å; Q42-E46 PolarHBondContact O-N 2.73Å |
| 43 | Q | 89.3 | Confident | 87.3 | Confident | 115 Ų | 115 | 86.7 Ų | 86.7 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.2 | -71.6 | 177.3 | -7.2 | 0 | 0 | 112.5 | R39 T40 V41 E46 Q47 | R39-Q43 WeakPolarHBondContact O-CG 3.37Å; R39-Q43 PolarHBondContact O-N 3.18Å; R39-Q43 VanDerWaalsContact O-N 3.1Å; T40-Q43 PolarHBondContact O-N 3.24Å; V41-Q43 PolarHBondContact O-N 3.3Å; Q43-E46 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-CG 3.32Å; Q43-Q47 WeakPolarHBondContact O-CG 3.3Å; Q43-Q47 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-N 3.09Å |
| 44 | K | 90.4 | Very high | 87.7 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 176.3 | -74.8 | 177.5 | -177.2 | 175.5 | 0 | 111.6 | L26 E29 T40 V41 Q42 Q47 L48 | L26-K44 HydrophobicContact CD1-CB 3.75Å; L26-K44 HydrophobicContact CD1-CD 3.63Å; L26-K44 HydrophobicContact CD1-CG 4.38Å; L26-K44 HydrophobicContact CD2-CB 4.36Å; E29-K44 IonicContact OE2-NZ 3.17Å; E29-K44 PolarHBondContact OE2-NZ 3.39Å; T40-K44 HydrophobicContact CG2-CD 4.39Å; T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 3.38Å; V41-K44 PolarHBondContact O-N 3.17Å; V41-K44 VanDerWaalsContact O-N 3.16Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.43Å; K44-Q47 PolarHBondContact O-N 2.91Å; K44-L48 WeakPolarHBondContact O-CB 3.46Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.49Å |
| 45 | L | 89.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 78 Ų | 78 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.2 | -73.3 | 173.9 | 0 | 0 | 0 | 111.3 | L26 V41 Q42 Q47 L48 N49 F54 I79 | L26-L45 HydrophobicContact CD2-CD2 3.59Å; L26-L45 HydrophobicContact CD2-CG 4.08Å; L26-L45 HydrophobicContact CG-CD2 4.4Å; V41-L45 HydrophobicContact CG1-CD1 3.8Å; V41-L45 HydrophobicContact CG1-CG 4.22Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.1Å; Q42-L45 PolarHBondContact O-N 3.11Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 2.97Å; L45-N49 WeakPolarHBondContact O-CB 3.46Å; L45-N49 PolarHBondContact O-N 3.33Å; L45-N49 PolarHBondContact O-OD1 3.49Å; L45-F54 HydrophobicContact CD2-CE1 4.36Å; L45-F54 HydrophobicContact CD2-CZ 3.89Å; L45-I79 HydrophobicContact CD1-CD1 4.23Å; L45-I79 HydrophobicContact CD2-CD1 4.15Å; L45-I79 HydrophobicContact CD2-CG2 3.98Å |
| 46 | E | 87.5 | Confident | 88.3 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.6 | -74.8 | 167.9 | -165.7 | 0 | 0 | 112.4 | Q42 Q43 | Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.42Å; Q42-E46 PolarHBondContact O-N 2.73Å; Q43-E46 PolarHBondContact O-N 3.22Å |
| 47 | Q | 89.6 | Confident | 88.6 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 174 | -71.1 | 172.7 | 13.3 | 0 | 0 | 111.9 | Q43 K44 L45 N49 Q50 | Q43-Q47 VanDerWaalsContact O-CG 3.32Å; Q43-Q47 WeakPolarHBondContact O-CG 3.3Å; Q43-Q47 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-N 3.09Å; K44-Q47 PolarHBondContact O-N 2.91Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.43Å; Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.13Å; Q47-Q50 WeakPolarHBondContact O-CB 3.32Å; Q47-Q50 PolarHBondContact O-N 3.16Å |
| 48 | L | 89.6 | Confident | 89 | Confident | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | -179.5 | -73.7 | 173.9 | 0 | 0 | 0 | 112.5 | L26 K44 L45 Q50 Y51 F54 | L26-L48 HydrophobicContact CD2-CD1 3.38Å; K44-L48 WeakPolarHBondContact O-CB 3.46Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.49Å; L45-L48 PolarHBondContact O-N 2.97Å; L48-Q50 PolarHBondContact O-N 2.77Å; L48-Q50 VanDerWaalsContact O-N 3.11Å; L48-Y51 HydrophobicContact CD2-CD2 4.41Å; L48-Y51 WeakPolarHBondContact O-CB 3.33Å; L48-Y51 PolarHBondContact O-N 2.85Å; L48-F54 HydrophobicContact CB-CD1 3.85Å; L48-F54 HydrophobicContact CB-CD2 3.84Å; L48-F54 HydrophobicContact CB-CE1 3.83Å; L48-F54 HydrophobicContact CB-CE2 3.84Å; L48-F54 HydrophobicContact CB-CG 3.86Å; L48-F54 HydrophobicContact CB-CZ 3.83Å; L48-F54 HydrophobicContact CD1-CD2 4.24Å; L48-F54 HydrophobicContact CD1-CE2 3.68Å; L48-F54 HydrophobicContact CD1-CZ 3.99Å; L48-F54 HydrophobicContact CG-CD2 4.43Å; L48-F54 HydrophobicContact CG-CE2 4.3Å; L48-F54 VanDerWaalsContact O-CB 3.27Å; L48-F54 WeakPolarHBondContact O-CB 3.42Å |
| 49 | N | 87.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.8 | 174.6 | -77.5 | -9.5 | 0 | 0 | 0 | 113.9 | L45 Q47 Y51 F54 N83 | L45-N49 WeakPolarHBondContact O-CB 3.46Å; L45-N49 PolarHBondContact O-N 3.33Å; L45-N49 PolarHBondContact O-OD1 3.49Å; Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.13Å; N49-Y51 VanDerWaalsContact C-N 3.3Å; N49-F54 VanDerWaalsContact OD1-CD1 3.3Å; N49-F54 WeakPolarHBondContact OD1-CD1 3.46Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.48Å; N49-N83 PolarHBondContact ND2-OD1 3.49Å; N49-N83 VanDerWaalsContact OD1-CG 3.24Å; N49-N83 PolarHBondContact OD1-ND2 3.32Å; N49-N83 PolarHBondContact OD1-OD1 3.25Å |
| 50 | Q | 84.8 | Confident | 89.9 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 73% | 0.729 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -17.3 | 173.1 | -57.2 | 179.6 | 12 | 0 | 0 | 112.8 | Q47 L48 | Q47-Q50 WeakPolarHBondContact O-CB 3.32Å; Q47-Q50 PolarHBondContact O-N 3.16Å; L48-Q50 PolarHBondContact O-N 2.77Å; L48-Q50 VanDerWaalsContact O-N 3.11Å |
| 51 | Y | 87 | Confident | 90.3 | Very high | 139 Ų | 139 | 54 Ų | 54 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -88.5 | 124.2 | 179.2 | -65.7 | -90.1 | 0 | 0 | 0 | 110.5 | L48 N49 D53 F54 | L48-Y51 HydrophobicContact CD2-CD2 4.41Å; L48-Y51 WeakPolarHBondContact O-CB 3.33Å; L48-Y51 PolarHBondContact O-N 2.85Å; N49-Y51 VanDerWaalsContact C-N 3.3Å; Y51-D53 PolarHBondContact O-N 2.79Å; Y51-F54 WeakPolarHBondContact O-CB 3.47Å; Y51-F54 PolarHBondContact O-N 3.45Å |
| 52 | P | 74.8 | Confident | 90.7 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.5 | -172.9 | 20 | -30.3 | 0 | 0 | 0 | 113.7 | P92 V95 | P52-P92 HydrophobicContact CB-CG 3.69Å; P52-V95 WeakPolarHBondContact O-CG2 3.29Å |
| 53 | D | 85.2 | Confident | 91.1 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.5 | -178 | 64.9 | -29.4 | 0 | 0 | 0 | 114 | Y51 N55 N56 Y57 | Y51-D53 PolarHBondContact O-N 2.79Å; D53-N55 PolarHBondContact O-N 3.44Å; D53-N56 WeakPolarHBondContact O-CA 3.39Å; D53-N56 VanDerWaalsContact O-CB 3.26Å; D53-N56 WeakPolarHBondContact O-CB 3.36Å; D53-N56 PolarHBondContact O-N 3.5Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 PolarHBondContact O-N 3.27Å |
| 54 | F | 93 | Very high | 91.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.2 | -40.6 | 178.1 | 175.8 | -127.4 | 0 | 0 | 0 | 112.2 | I23 L45 L48 N49 Y51 N56 Y57 L58 | I23-F54 HydrophobicContact CD1-CD2 3.79Å; I23-F54 HydrophobicContact CD1-CE2 3.9Å; I23-F54 HydrophobicContact CG1-CD2 4.36Å; I23-F54 HydrophobicContact CG1-CE2 4.03Å; I23-F54 HydrophobicContact CG2-CE2 4.4Å; L45-F54 HydrophobicContact CD2-CE1 4.36Å; L45-F54 HydrophobicContact CD2-CZ 3.89Å; L48-F54 HydrophobicContact CB-CD1 3.85Å; L48-F54 HydrophobicContact CB-CD2 3.84Å; L48-F54 HydrophobicContact CB-CE1 3.83Å; L48-F54 HydrophobicContact CB-CE2 3.84Å; L48-F54 HydrophobicContact CB-CG 3.86Å; L48-F54 HydrophobicContact CB-CZ 3.83Å; L48-F54 HydrophobicContact CD1-CD2 4.24Å; L48-F54 HydrophobicContact CD1-CE2 3.68Å; L48-F54 HydrophobicContact CD1-CZ 3.99Å; L48-F54 HydrophobicContact CG-CD2 4.43Å; L48-F54 HydrophobicContact CG-CE2 4.3Å; L48-F54 VanDerWaalsContact O-CB 3.27Å; L48-F54 WeakPolarHBondContact O-CB 3.42Å; N49-F54 VanDerWaalsContact OD1-CD1 3.3Å; N49-F54 WeakPolarHBondContact OD1-CD1 3.46Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.48Å; Y51-F54 WeakPolarHBondContact O-CB 3.47Å; Y51-F54 PolarHBondContact O-N 3.45Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 2.93Å; F54-Y57 WeakPolarHBondContact O-CB 3.31Å; F54-Y57 PolarHBondContact O-N 2.91Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; F54-L58 HydrophobicContact CD1-CD1 4.19Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CG 4.28Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CE2-CD2 4.07Å; F54-L58 HydrophobicContact CE2-CG 4.14Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.87Å; F54-L58 HydrophobicContact CZ-CG 4Å; F54-L58 PolarHBondContact O-N 3.46Å; F54-L58 VanDerWaalsContact O-N 3.14Å |
| 55 | N | 94.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -27.3 | 177.4 | -63 | -52.6 | 0 | 0 | 0 | 113 | D53 L58 I59 L80 N83 F91 V95 I99 | D53-N55 PolarHBondContact O-N 3.44Å; N55-L58 PolarHBondContact O-N 2.93Å; N55-I59 WeakPolarHBondContact O-CG2 3.33Å; N55-I59 PolarHBondContact O-N 3.43Å; N55-I59 VanDerWaalsContact O-N 3.08Å; N55-L80 HydrophobicContact CB-CD1 3.62Å; N55-L80 WeakPolarHBondContact OD1-CD1 3.47Å; N55-N83 PolarHBondContact OD1-ND2 2.86Å; N55-F91 HydrophobicContact CB-CE2 4.2Å; N55-F91 HydrophobicContact CB-CZ 4.4Å; N55-F91 VanDerWaalsContact CG-CZ 3.5Å; N55-F91 VanDerWaalsContact ND2-CE1 3.26Å; N55-F91 WeakPolarHBondContact ND2-CE1 3.49Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.4Å; N55-V95 HydrophobicContact CB-CG1 4Å; N55-I99 HydrophobicContact CB-CD1 3.9Å |
| 56 | N | 95 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -36.9 | 172.6 | -68.7 | -8.9 | 0 | 0 | 0 | 111.6 | W13 D53 F54 I59 F60 V95 F98 | W13-N56 VanDerWaalsContact CD1-ND2 3.29Å; W13-N56 HydrophobicContact CD2-CB 3.76Å; W13-N56 VanDerWaalsContact CE2-CB 3.42Å; W13-N56 HydrophobicContact CE3-CB 4.1Å; W13-N56 HydrophobicContact CG-CB 4.38Å; W13-N56 HydrophobicContact CH2-CB 3.85Å; W13-N56 HydrophobicContact CZ2-CB 3.49Å; W13-N56 VanDerWaalsContact CZ2-CB 3.49Å; W13-N56 HydrophobicContact CZ3-CB 4.15Å; W13-N56 PolarHBondContact NE1-ND2 3.28Å; D53-N56 WeakPolarHBondContact O-CA 3.39Å; D53-N56 VanDerWaalsContact O-CB 3.26Å; D53-N56 WeakPolarHBondContact O-CB 3.36Å; D53-N56 PolarHBondContact O-N 3.5Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 2.93Å; N56-I59 VanDerWaalsContact O-CG2 3.28Å; N56-I59 WeakPolarHBondContact O-CG2 3.48Å; N56-F60 WeakPolarHBondContact O-CB 3.48Å; N56-F60 PolarHBondContact O-N 3.46Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.46Å; N56-F98 HydrophobicContact CB-CD1 3.98Å; N56-F98 HydrophobicContact CB-CE1 3.96Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.41Å |
| 57 | Y | 95.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 173.8 | -71.1 | -93 | 0 | 0 | 0 | 111.6 | W13 P15 D16 L20 I23 D53 F54 F60 V61 | W13-Y57 AromaticContact CH2-CD1 3.88Å; W13-Y57 HydrophobicContact CH2-CD1 3.88Å; W13-Y57 AromaticContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CE1 4.11Å; W13-Y57 HydrophobicContact CH2-CE2 4.19Å; W13-Y57 AromaticContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CZ2-CD1 4.32Å; W13-Y57 AromaticContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CE1 4.25Å; W13-Y57 AromaticContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CG 4.05Å; W13-Y57 AromaticContact CZ2-CZ 3.9Å; P15-Y57 HydrophobicContact CB-CD1 3.8Å; P15-Y57 HydrophobicContact CB-CE1 3.5Å; P15-Y57 VanDerWaalsContact CB-CE1 3.5Å; D16-Y57 WeakPolarHBondContact CB-OH 3.47Å; D16-Y57 PolarHBondContact N-OH 3.48Å; D16-Y57 VanDerWaalsContact N-OH 3.12Å; L20-Y57 HydrophobicContact CB-CD1 4.32Å; L20-Y57 HydrophobicContact CB-CE1 4.33Å; L20-Y57 HydrophobicContact CD1-CD1 4.3Å; I23-Y57 HydrophobicContact CD1-CD1 3.67Å; I23-Y57 HydrophobicContact CD1-CD2 3.88Å; I23-Y57 HydrophobicContact CD1-CE1 4.46Å; I23-Y57 HydrophobicContact CD1-CG 3.34Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 PolarHBondContact O-N 3.27Å; F54-Y57 WeakPolarHBondContact O-CB 3.31Å; F54-Y57 PolarHBondContact O-N 2.91Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; Y57-F60 PolarHBondContact O-N 2.93Å; Y57-V61 WeakPolarHBondContact O-CG2 3.49Å; Y57-V61 PolarHBondContact O-N 3.42Å |
| 58 | L | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 178.8 | -65.3 | 175.9 | 0 | 0 | 0 | 111.7 | I23 F54 N55 F60 V61 L62 S76 I79 L80 | I23-L58 HydrophobicContact CG2-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CD1 4.19Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CG 4.28Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CE2-CD2 4.07Å; F54-L58 HydrophobicContact CE2-CG 4.14Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.87Å; F54-L58 HydrophobicContact CZ-CG 4Å; F54-L58 PolarHBondContact O-N 3.46Å; F54-L58 VanDerWaalsContact O-N 3.14Å; N55-L58 PolarHBondContact O-N 2.93Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 3.02Å; L58-V61 PolarHBondContact O-N 3.11Å; L58-L62 PolarHBondContact O-N 3.18Å; L58-S76 PolarHBondContact O-OG 2.84Å; L58-I79 HydrophobicContact CD1-CB 4.38Å; L58-I79 HydrophobicContact CD1-CG2 3.75Å; L58-I79 HydrophobicContact CD2-CG2 4.29Å; L58-L80 HydrophobicContact CB-CB 3.98Å; L58-L80 HydrophobicContact CB-CD2 4.35Å; L58-L80 HydrophobicContact CD1-CB 3.99Å; L58-L80 HydrophobicContact CD1-CD1 4.43Å |
| 59 | I | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -36.5 | 177.3 | -168.3 | 62.1 | 0 | 0 | 0 | 111.6 | N55 N56 V61 L62 T63 L80 F98 I99 E102 L121 | N55-I59 WeakPolarHBondContact O-CG2 3.33Å; N55-I59 PolarHBondContact O-N 3.43Å; N55-I59 VanDerWaalsContact O-N 3.08Å; N56-I59 VanDerWaalsContact O-CG2 3.28Å; N56-I59 WeakPolarHBondContact O-CG2 3.48Å; I59-V61 PolarHBondContact O-N 3.01Å; I59-L62 HydrophobicContact CD1-CD2 3.92Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.03Å; I59-T63 HydrophobicContact CD1-CG2 3.84Å; I59-T63 HydrophobicContact CG1-CG2 4.22Å; I59-T63 PolarHBondContact O-N 3.15Å; I59-T63 PolarHBondContact O-OG1 3.34Å; I59-L80 HydrophobicContact CB-CD2 3.72Å; I59-L80 HydrophobicContact CD1-CD2 4.13Å; I59-L80 HydrophobicContact CG1-CD2 4.43Å; I59-F98 HydrophobicContact CG2-CD1 3.76Å; I59-F98 HydrophobicContact CG2-CE1 3.52Å; I59-I99 HydrophobicContact CB-CG1 4.25Å; I59-I99 HydrophobicContact CD1-CG2 4.45Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.98Å; I59-E102 HydrophobicContact CD1-CB 4.26Å; I59-E102 HydrophobicContact CG1-CB 3.52Å; I59-E102 HydrophobicContact CG1-CG 4.23Å; I59-L121 HydrophobicContact CD1-CD2 3.85Å |
| 60 | F | 95.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 50.1 Ų | 50.1 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.1 | -179.8 | -85.8 | 0 | 0 | 0 | 112.5 | W13 P15 L20 N56 Y57 L58 K64 L65 | W13-F60 HydrophobicContact CE3-CD2 4.49Å; W13-F60 HydrophobicContact CH2-CB 4.4Å; W13-F60 HydrophobicContact CZ3-CB 3.76Å; W13-F60 AromaticContact CZ3-CD2 3.91Å; W13-F60 HydrophobicContact CZ3-CD2 3.91Å; W13-F60 AromaticContact CZ3-CG 3.95Å; W13-F60 HydrophobicContact CZ3-CG 3.95Å; P15-F60 HydrophobicContact CG-CD1 4.03Å; P15-F60 HydrophobicContact CG-CD2 4.29Å; P15-F60 HydrophobicContact CG-CE1 3.71Å; P15-F60 HydrophobicContact CG-CE2 3.98Å; P15-F60 HydrophobicContact CG-CG 4.32Å; P15-F60 HydrophobicContact CG-CZ 3.69Å; L20-F60 HydrophobicContact CD1-CD1 4.24Å; L20-F60 HydrophobicContact CD2-CE1 4.02Å; N56-F60 WeakPolarHBondContact O-CB 3.48Å; N56-F60 PolarHBondContact O-N 3.46Å; Y57-F60 PolarHBondContact O-N 2.93Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 3.02Å; F60-K64 HydrophobicContact CD2-CB 3.91Å; F60-K64 HydrophobicContact CD2-CD 3.77Å; F60-K64 HydrophobicContact CD2-CG 4.31Å; F60-K64 HydrophobicContact CE2-CB 3.79Å; F60-K64 HydrophobicContact CE2-CD 3.74Å; F60-K64 HydrophobicContact CE2-CG 4.36Å; F60-K64 HydrophobicContact CG-CB 4.35Å; F60-K64 HydrophobicContact CZ-CB 4.11Å; F60-K64 PolarHBondContact O-N 3.16Å; F60-L65 HydrophobicContact CE1-CB 4.28Å; F60-L65 HydrophobicContact CE1-CD1 4.37Å; F60-L65 PolarHBondContact O-N 3.15Å; F60-L65 VanDerWaalsContact O-N 3.15Å |
| 61 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | L20 L24 L27 Y57 L58 I59 T63 L65 R73 | L20-V61 HydrophobicContact CD1-CG2 3.72Å; L24-V61 HydrophobicContact CD2-CG1 4.19Å; L24-V61 HydrophobicContact CD2-CG2 4.11Å; L27-V61 HydrophobicContact CD1-CB 4.46Å; L27-V61 HydrophobicContact CD1-CG1 3.84Å; L27-V61 HydrophobicContact CD1-CG2 4.43Å; Y57-V61 WeakPolarHBondContact O-CG2 3.49Å; Y57-V61 PolarHBondContact O-N 3.42Å; L58-V61 PolarHBondContact O-N 3.11Å; I59-V61 PolarHBondContact O-N 3.01Å; V61-T63 PolarHBondContact O-N 3.3Å; V61-L65 HydrophobicContact CG2-CD2 4.3Å; V61-R73 WeakPolarHBondContact O-CG 3.38Å |
| 62 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 177.2 | 179.8 | 64.8 | 0 | 0 | 0 | 112 | L58 I59 R73 S76 I114 T117 V118 L121 | L58-L62 PolarHBondContact O-N 3.18Å; I59-L62 HydrophobicContact CD1-CD2 3.92Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.03Å; L62-R73 VanDerWaalsContact CD1-O 3.26Å; L62-R73 WeakPolarHBondContact CD1-O 3.46Å; L62-R73 PolarHBondContact O-NE 3.35Å; L62-R73 PolarHBondContact O-NH2 3.02Å; L62-S76 PolarHBondContact N-OG 3.1Å; L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.04Å; L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.28Å; L62-V118 HydrophobicContact CD2-CG2 3.88Å; L62-V118 HydrophobicContact CG-CG2 4.32Å; L62-L121 HydrophobicContact CD2-CD2 4.43Å |
| 63 | T | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -100.1 | -42.3 | -165.7 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | I59 V61 E102 N106 | I59-T63 HydrophobicContact CD1-CG2 3.84Å; I59-T63 HydrophobicContact CG1-CG2 4.22Å; I59-T63 PolarHBondContact O-N 3.15Å; I59-T63 PolarHBondContact O-OG1 3.34Å; V61-T63 PolarHBondContact O-N 3.3Å; T63-E102 HydrophobicContact CG2-CB 4.32Å; T63-E102 PolarHBondContact OG1-OE2 2.96Å; T63-N106 VanDerWaalsContact CB-CG 3.49Å; T63-N106 WeakPolarHBondContact CB-ND2 3.45Å; T63-N106 HydrophobicContact CG2-CB 3.73Å |
| 64 | K | 93.8 | Very high | 95 | Very high | 76 Ų | 76 | 33.8 Ų | 33.8 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -30.9 | -169.1 | -71.3 | -174.3 | 176 | 166.3 | 0 | 113.9 | F60 K66 E102 | F60-K64 HydrophobicContact CD2-CB 3.91Å; F60-K64 HydrophobicContact CD2-CD 3.77Å; F60-K64 HydrophobicContact CD2-CG 4.31Å; F60-K64 HydrophobicContact CE2-CB 3.79Å; F60-K64 HydrophobicContact CE2-CD 3.74Å; F60-K64 HydrophobicContact CE2-CG 4.36Å; F60-K64 HydrophobicContact CG-CB 4.35Å; F60-K64 HydrophobicContact CZ-CB 4.11Å; F60-K64 PolarHBondContact O-N 3.16Å; K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.29Å; K64-E102 VanDerWaalsContact CE-CD 3.47Å; K64-E102 WeakPolarHBondContact CE-OE1 3.41Å; K64-E102 VanDerWaalsContact CE-OE2 3.26Å; K64-E102 WeakPolarHBondContact CE-OE2 3.32Å; K64-E102 IonicContact NZ-OE1 2.77Å; K64-E102 PolarHBondContact NZ-OE1 3.19Å; K64-E102 IonicContact NZ-OE2 3.66Å |
| 65 | L | 93.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | trans | -83.5 | 64.6 | -174.9 | -162.9 | 67 | 0 | 0 | 0 | 112.7 | L20 L24 F60 V61 S67 E68 | L20-L65 HydrophobicContact CD1-CD2 4.43Å; L20-L65 HydrophobicContact CD2-CD2 4.5Å; L24-L65 HydrophobicContact CD1-CD2 3.82Å; L24-L65 HydrophobicContact CD2-CD2 3.72Å; L24-L65 HydrophobicContact CG-CD2 4.26Å; F60-L65 HydrophobicContact CE1-CB 4.28Å; F60-L65 HydrophobicContact CE1-CD1 4.37Å; F60-L65 PolarHBondContact O-N 3.15Å; F60-L65 VanDerWaalsContact O-N 3.15Å; V61-L65 HydrophobicContact CG2-CD2 4.3Å; L65-S67 WeakPolarHBondContact CD1-OG 3.26Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-E68 HydrophobicContact CD2-CG 3.48Å; L65-E68 VanDerWaalsContact CD2-CG 3.48Å; L65-E68 HydrophobicContact CG-CG 3.88Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-E68 VanDerWaalsContact O-N 3.14Å | ||
| 66 | K | 92.2 | Very high | 95.2 | Very high | 140 Ų | 140 | 35.1 Ų | 35.1 | 61% | 0.609 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -3.6 | -178.7 | -59.1 | -171.3 | 178.3 | -171.1 | 0 | 114.7 | K64 | K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.29Å |
| 67 | S | 92.7 | Very high | 95.3 | Very high | 98 Ų | 98 | 34.7 Ų | 34.7 | 69% | 0.685 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.2 | 172.3 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | L65 | L65-S67 WeakPolarHBondContact CD1-OG 3.26Å; L65-S67 PolarHBondContact O-N 3.45Å |
| 68 | E | 93.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -86.6 | 156.6 | 175.5 | -61 | -64.1 | 138.2 | 0 | 0 | 111 | L24 K28 L65 R73 | L24-E68 HydrophobicContact CD2-CG 3.75Å; K28-E68 WeakPolarHBondContact CE-OE2 3.3Å; K28-E68 IonicContact NZ-OE1 3.88Å; K28-E68 IonicContact NZ-OE2 2.78Å; K28-E68 PolarHBondContact NZ-OE2 3.41Å; L65-E68 HydrophobicContact CD2-CG 3.48Å; L65-E68 VanDerWaalsContact CD2-CG 3.48Å; L65-E68 HydrophobicContact CG-CG 3.88Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-E68 VanDerWaalsContact O-N 3.14Å; E68-R73 HydrophobicContact CB-CG 4.19Å; E68-R73 WeakPolarHBondContact O-CD 3.39Å |
| 69 | D | 94.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | trans | -68.6 | 155.7 | -179.9 | 63.5 | 95.4 | 0 | 0 | 0 | 113 | P71 T72 R73 | D69-P71 VanDerWaalsContact OD1-CD 3.25Å; D69-P71 WeakPolarHBondContact OD1-CD 3.48Å; D69-T72 PolarHBondContact O-N 2.73Å; D69-T72 WeakPolarHBondContact OD1-CB 3.4Å; D69-T72 PolarHBondContact OD1-N 3.28Å; D69-T72 PolarHBondContact OD1-OG1 2.72Å; D69-T72 WeakPolarHBondContact OD2-CB 3.34Å; D69-T72 PolarHBondContact OD2-OG1 3.14Å; D69-R73 WeakPolarHBondContact O-CG 3.3Å; D69-R73 PolarHBondContact O-N 2.7Å | ||
| 70 | E | 94.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 37.5 Ų | 37.5 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | -176.1 | -53.1 | -176.6 | -179 | 0 | 0 | 113.8 | R73 S74 S111 L113 | E70-R73 PolarHBondContact O-N 3.47Å; E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.25Å; E70-S74 PolarHBondContact O-N 2.84Å; E70-S111 WeakPolarHBondContact OE2-CB 3.5Å; E70-S111 PolarHBondContact OE2-OG 2.86Å; E70-L113 HydrophobicContact CB-CD2 4.25Å |
| 71 | P | 94.2 | Very high | 95.3 | Very high | 68 Ų | 68 | 38.2 Ų | 38.2 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 172.4 | -27.3 | 35.2 | 0 | 0 | 0 | 113.7 | D69 R73 S74 L75 | D69-P71 VanDerWaalsContact OD1-CD 3.25Å; D69-P71 WeakPolarHBondContact OD1-CD 3.48Å; P71-R73 PolarHBondContact O-N 3.02Å; P71-S74 PolarHBondContact O-N 3.09Å; P71-L75 VanDerWaalsContact O-CB 3.31Å; P71-L75 WeakPolarHBondContact O-CB 3.33Å; P71-L75 PolarHBondContact O-N 3.18Å |
| 72 | T | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 178 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | L27 Q31 D69 L75 S76 | L27-T72 HydrophobicContact CB-CG2 4.02Å; L27-T72 HydrophobicContact CD1-CG2 4.35Å; Q31-T72 PolarHBondContact NE2-OG1 3.35Å; D69-T72 PolarHBondContact O-N 2.73Å; D69-T72 WeakPolarHBondContact OD1-CB 3.4Å; D69-T72 PolarHBondContact OD1-N 3.28Å; D69-T72 PolarHBondContact OD1-OG1 2.72Å; D69-T72 WeakPolarHBondContact OD2-CB 3.34Å; D69-T72 PolarHBondContact OD2-OG1 3.14Å; T72-L75 PolarHBondContact O-N 2.87Å; T72-S76 PolarHBondContact O-N 3.43Å; T72-S76 VanDerWaalsContact O-N 3.14Å |
| 73 | R | 97.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.5 | -68.8 | 175.4 | 60.4 | -154 | -1.8 | 111.3 | V61 L62 E68 D69 E70 P71 L75 S76 G77 D109 I114 | V61-R73 WeakPolarHBondContact O-CG 3.38Å; L62-R73 VanDerWaalsContact CD1-O 3.26Å; L62-R73 WeakPolarHBondContact CD1-O 3.46Å; L62-R73 PolarHBondContact O-NE 3.35Å; L62-R73 PolarHBondContact O-NH2 3.02Å; E68-R73 HydrophobicContact CB-CG 4.19Å; E68-R73 WeakPolarHBondContact O-CD 3.39Å; D69-R73 WeakPolarHBondContact O-CG 3.3Å; D69-R73 PolarHBondContact O-N 2.7Å; E70-R73 PolarHBondContact O-N 3.47Å; P71-R73 PolarHBondContact O-N 3.02Å; R73-L75 PolarHBondContact O-N 2.79Å; R73-S76 WeakPolarHBondContact O-CB 3.36Å; R73-S76 PolarHBondContact O-N 3.36Å; R73-S76 PolarHBondContact O-OG 3.43Å; R73-G77 PolarHBondContact O-N 3.12Å; R73-D109 IonicContact CZ-OD2 3.82Å; R73-D109 IonicContact NH1-OD2 3.88Å; R73-D109 IonicContact NH2-OD2 2.84Å; R73-D109 PolarHBondContact NH2-OD2 2.96Å; R73-I114 HydrophobicContact CB-CD1 3.55Å |
| 74 | S | 96.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | E70 P71 S76 G77 L78 T117 | E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.25Å; E70-S74 PolarHBondContact O-N 2.84Å; P71-S74 PolarHBondContact O-N 3.09Å; S74-S76 VanDerWaalsContact C-N 3.29Å; S74-S76 PolarHBondContact O-N 3.18Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 WeakPolarHBondContact O-CA 3.37Å; S74-G77 PolarHBondContact O-N 2.97Å; S74-L78 PolarHBondContact O-N 3.15Å; S74-T117 PolarHBondContact OG-OG1 3.46Å |
| 75 | L | 96 | Very high | 95.1 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 177 | -178.4 | 61.2 | 0 | 0 | 0 | 112.1 | L27 Q31 P71 T72 R73 G77 L78 I79 | L27-L75 HydrophobicContact CD2-CG 4.39Å; L27-L75 WeakPolarHBondContact O-CD2 3.47Å; Q31-L75 HydrophobicContact CG-CD2 3.6Å; P71-L75 VanDerWaalsContact O-CB 3.31Å; P71-L75 WeakPolarHBondContact O-CB 3.33Å; P71-L75 PolarHBondContact O-N 3.18Å; T72-L75 PolarHBondContact O-N 2.87Å; R73-L75 PolarHBondContact O-N 2.79Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.48Å; L75-L78 PolarHBondContact O-N 2.89Å; L75-I79 HydrophobicContact CD1-CD1 4.44Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.84Å |
| 76 | S | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 174.4 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | L58 L62 T72 R73 S74 L80 | L58-S76 PolarHBondContact O-OG 2.84Å; L62-S76 PolarHBondContact N-OG 3.1Å; T72-S76 PolarHBondContact O-N 3.43Å; T72-S76 VanDerWaalsContact O-N 3.14Å; R73-S76 WeakPolarHBondContact O-CB 3.36Å; R73-S76 PolarHBondContact O-N 3.36Å; R73-S76 PolarHBondContact O-OG 3.43Å; S74-S76 VanDerWaalsContact C-N 3.29Å; S74-S76 PolarHBondContact O-N 3.18Å; S76-L80 WeakPolarHBondContact O-CB 3.5Å; S76-L80 PolarHBondContact O-N 3.21Å |
| 77 | G | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R73 S74 L75 L80 K81 | R73-G77 PolarHBondContact O-N 3.12Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 WeakPolarHBondContact O-CA 3.37Å; S74-G77 PolarHBondContact O-N 2.97Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.48Å; G77-L80 PolarHBondContact O-N 3.43Å; G77-K81 WeakPolarHBondContact O-CB 3.33Å; G77-K81 PolarHBondContact O-N 3.36Å |
| 78 | L | 96.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.7 | -67.2 | 176.6 | 0 | 0 | 0 | 112.7 | S74 L75 K81 N82 T117 | S74-L78 PolarHBondContact O-N 3.15Å; L75-L78 PolarHBondContact O-N 2.89Å; L78-K81 WeakPolarHBondContact O-CB 3.13Å; L78-K81 PolarHBondContact O-N 3.36Å; L78-N82 PolarHBondContact O-N 2.67Å; L78-T117 HydrophobicContact CG-CG2 4.49Å |
| 79 | I | 95.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -46 | 171 | -68 | 168.1 | 0 | 0 | 0 | 109.5 | L27 L45 L58 L75 K81 N82 N83 | L27-I79 HydrophobicContact CD2-CD1 3.56Å; L45-I79 HydrophobicContact CD1-CD1 4.23Å; L45-I79 HydrophobicContact CD2-CD1 4.15Å; L45-I79 HydrophobicContact CD2-CG2 3.98Å; L58-I79 HydrophobicContact CD1-CB 4.38Å; L58-I79 HydrophobicContact CD1-CG2 3.75Å; L58-I79 HydrophobicContact CD2-CG2 4.29Å; L75-I79 HydrophobicContact CD1-CD1 4.44Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.84Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.03Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.38Å; I79-N82 VanDerWaalsContact O-N 3.07Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-OD1 3.26Å |
| 80 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 175.5 | -179.7 | 55.1 | 0 | 0 | 0 | 111.8 | N55 L58 I59 S76 G77 N82 N83 V84 F91 I99 L121 | N55-L80 HydrophobicContact CB-CD1 3.62Å; N55-L80 WeakPolarHBondContact OD1-CD1 3.47Å; L58-L80 HydrophobicContact CB-CB 3.98Å; L58-L80 HydrophobicContact CB-CD2 4.35Å; L58-L80 HydrophobicContact CD1-CB 3.99Å; L58-L80 HydrophobicContact CD1-CD1 4.43Å; I59-L80 HydrophobicContact CB-CD2 3.72Å; I59-L80 HydrophobicContact CD1-CD2 4.13Å; I59-L80 HydrophobicContact CG1-CD2 4.43Å; S76-L80 WeakPolarHBondContact O-CB 3.5Å; S76-L80 PolarHBondContact O-N 3.21Å; G77-L80 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.42Å; L80-N83 WeakPolarHBondContact O-CB 3.3Å; L80-N83 PolarHBondContact O-N 3.27Å; L80-V84 HydrophobicContact CD1-CG2 4.37Å; L80-V84 WeakPolarHBondContact O-CG2 3.36Å; L80-V84 PolarHBondContact O-N 3.31Å; L80-F91 HydrophobicContact CD1-CE2 4.36Å; L80-I99 HydrophobicContact CD1-CD1 4.14Å; L80-I99 HydrophobicContact CD2-CG1 4.45Å; L80-I99 HydrophobicContact CD2-CG2 4.14Å; L80-L121 HydrophobicContact CD2-CD1 4.37Å; L80-L121 HydrophobicContact CD2-CD2 3.57Å; L80-L121 HydrophobicContact CG-CD1 3.95Å; L80-L121 HydrophobicContact CG-CD2 4.04Å |
| 81 | K | 96.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 173.2 | -174 | -128.3 | 76.4 | -173.4 | 0 | 111.7 | G77 L78 I79 V84 K85 I120 L121 T124 | G77-K81 WeakPolarHBondContact O-CB 3.33Å; G77-K81 PolarHBondContact O-N 3.36Å; L78-K81 WeakPolarHBondContact O-CB 3.13Å; L78-K81 PolarHBondContact O-N 3.36Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.03Å; K81-V84 PolarHBondContact O-N 3.42Å; K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.27Å; K81-I120 HydrophobicContact CD-CG2 3.69Å; K81-I120 HydrophobicContact CG-CG2 3.84Å; K81-L121 HydrophobicContact CB-CD1 4.38Å; K81-T124 HydrophobicContact CG-CG2 3.96Å; K81-T124 WeakPolarHBondContact CG-OG1 3.4Å |
| 82 | N | 94.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 176.5 | -70.8 | -20.6 | 0 | 0 | 0 | 111.7 | L78 I79 L80 K85 A86 | L78-N82 PolarHBondContact O-N 2.67Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.38Å; I79-N82 VanDerWaalsContact O-N 3.07Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.42Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 3.34Å; N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.36Å |
| 83 | N | 94.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176 | -69.4 | -4.3 | 0 | 0 | 0 | 112.2 | N49 N55 I79 L80 A86 H87 F91 | N49-N83 PolarHBondContact ND2-OD1 3.49Å; N49-N83 VanDerWaalsContact OD1-CG 3.24Å; N49-N83 PolarHBondContact OD1-ND2 3.32Å; N49-N83 PolarHBondContact OD1-OD1 3.25Å; N55-N83 PolarHBondContact OD1-ND2 2.86Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-OD1 3.26Å; L80-N83 WeakPolarHBondContact O-CB 3.3Å; L80-N83 PolarHBondContact O-N 3.27Å; N83-A86 PolarHBondContact O-N 2.96Å; N83-H87 WeakPolarHBondContact O-CA 3.41Å; N83-H87 WeakPolarHBondContact O-CB 3.28Å; N83-H87 PolarHBondContact O-N 2.96Å; N83-F91 HydrophobicContact CB-CZ 4.01Å |
| 84 | V | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 171.2 | 169.6 | 0 | 0 | 0 | 0 | 109.4 | L80 K81 A86 H87 F88 F91 L121 T124 I125 K128 | L80-V84 HydrophobicContact CD1-CG2 4.37Å; L80-V84 WeakPolarHBondContact O-CG2 3.36Å; L80-V84 PolarHBondContact O-N 3.31Å; K81-V84 PolarHBondContact O-N 3.42Å; V84-A86 PolarHBondContact O-N 3.38Å; V84-A86 VanDerWaalsContact O-N 3.16Å; V84-H87 PolarHBondContact O-N 3.17Å; V84-F88 HydrophobicContact CB-CD2 4.33Å; V84-F88 HydrophobicContact CG1-CB 4.15Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 4.41Å; V84-F88 HydrophobicContact CG1-CG 4.14Å; V84-F88 HydrophobicContact CG2-CD2 4.17Å; V84-F88 WeakPolarHBondContact O-CB 3.42Å; V84-F88 PolarHBondContact O-N 3.26Å; V84-F88 VanDerWaalsContact O-N 3.12Å; V84-F91 HydrophobicContact CG2-CE2 3.84Å; V84-F91 HydrophobicContact CG2-CZ 4.26Å; V84-L121 HydrophobicContact CG2-CD1 3.96Å; V84-T124 HydrophobicContact CB-CG2 4.2Å; V84-T124 HydrophobicContact CG1-CG2 3.69Å; V84-I125 HydrophobicContact CG1-CB 4.48Å; V84-I125 HydrophobicContact CG1-CG1 3.78Å; V84-I125 HydrophobicContact CG2-CG1 4.01Å; V84-K128 HydrophobicContact CG1-CB 4.4Å |
| 85 | K | 93.7 | Very high | 93.2 | Very high | 131 Ų | 131 | 54.5 Ų | 54.5 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.6 | -39.1 | -179.9 | -169.8 | 176.4 | 178.2 | 178.8 | 0 | 112.8 | K81 N82 T124 | K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.27Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 3.34Å; K85-T124 HydrophobicContact CB-CG2 4.3Å |
| 86 | A | 91.1 | Very high | 93 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -91.1 | -32.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N82 N83 V84 | N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.36Å; N83-A86 PolarHBondContact O-N 2.96Å; V84-A86 PolarHBondContact O-N 3.38Å; V84-A86 VanDerWaalsContact O-N 3.16Å |
| 87 | H | 91 | Very high | 92.8 | Very high | 81 Ų | 81 | 58 Ų | 58 | 38% | 0.375 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -139 | 13 | -162.1 | -53.7 | -46.3 | 0 | 0 | 0 | 114.6 | N83 V84 Q89 N90 F91 | N83-H87 WeakPolarHBondContact O-CA 3.41Å; N83-H87 WeakPolarHBondContact O-CB 3.28Å; N83-H87 PolarHBondContact O-N 2.96Å; V84-H87 PolarHBondContact O-N 3.17Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.31Å; H87-Q89 VanDerWaalsContact O-N 3.13Å; H87-N90 WeakPolarHBondContact O-CB 3.42Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-F91 HydrophobicContact CB-CE1 4.06Å; H87-F91 WeakPolarHBondContact O-CD1 3.46Å |
| 88 | F | 91.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -51.7 | -41.8 | -172.3 | -172.6 | -107.7 | 0 | 0 | 0 | 114.5 | V84 N90 F91 T96 I125 K128 G129 | V84-F88 HydrophobicContact CB-CD2 4.33Å; V84-F88 HydrophobicContact CG1-CB 4.15Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 4.41Å; V84-F88 HydrophobicContact CG1-CG 4.14Å; V84-F88 HydrophobicContact CG2-CD2 4.17Å; V84-F88 WeakPolarHBondContact O-CB 3.42Å; V84-F88 PolarHBondContact O-N 3.26Å; V84-F88 VanDerWaalsContact O-N 3.12Å; F88-N90 PolarHBondContact O-N 3.46Å; F88-N90 VanDerWaalsContact O-N 3.15Å; F88-F91 HydrophobicContact CD2-CD2 4.25Å; F88-F91 WeakPolarHBondContact O-CB 3.49Å; F88-F91 PolarHBondContact O-N 3.21Å; F88-F91 VanDerWaalsContact O-N 3.09Å; F88-T96 HydrophobicContact CE2-CG2 3.97Å; F88-T96 HydrophobicContact CZ-CG2 3.66Å; F88-I125 HydrophobicContact CE2-CB 4.35Å; F88-I125 HydrophobicContact CE2-CG1 4.08Å; F88-I125 HydrophobicContact CE2-CG2 3.75Å; F88-I125 HydrophobicContact CZ-CG2 3.67Å; F88-K128 HydrophobicContact CB-CB 4.07Å; F88-K128 HydrophobicContact CD1-CB 4.46Å; F88-K128 HydrophobicContact CG-CB 4.36Å; F88-G129 VanDerWaalsContact CD1-CA 3.46Å |
| 89 | Q | 90 | Very high | 92.5 | Very high | 176 Ų | 176 | 56.3 Ų | 56.3 | 82% | 0.822 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -62.6 | -21.5 | -179.8 | -64.4 | -179.6 | -2.3 | 0 | 0 | 113.6 | H87 | H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.31Å; H87-Q89 VanDerWaalsContact O-N 3.13Å |
| 90 | N | 89.8 | Confident | 92.6 | Very high | 132 Ų | 132 | 57 Ų | 57 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -90.7 | -5.1 | -180 | -62 | -26.1 | 0 | 0 | 0 | 112.8 | H87 F88 | H87-N90 WeakPolarHBondContact O-CB 3.42Å; H87-N90 PolarHBondContact O-N 3.35Å; F88-N90 PolarHBondContact O-N 3.46Å; F88-N90 VanDerWaalsContact O-N 3.15Å |
| 91 | F | 90.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -70.7 | 133.1 | -177.7 | -76.1 | 17 | 0 | 0 | 0 | 110.2 | N55 L80 N83 V84 H87 F88 N93 V95 T96 I99 | N55-F91 HydrophobicContact CB-CE2 4.2Å; N55-F91 HydrophobicContact CB-CZ 4.4Å; N55-F91 VanDerWaalsContact CG-CZ 3.5Å; N55-F91 VanDerWaalsContact ND2-CE1 3.26Å; N55-F91 WeakPolarHBondContact ND2-CE1 3.49Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.4Å; L80-F91 HydrophobicContact CD1-CE2 4.36Å; N83-F91 HydrophobicContact CB-CZ 4.01Å; V84-F91 HydrophobicContact CG2-CE2 3.84Å; V84-F91 HydrophobicContact CG2-CZ 4.26Å; H87-F91 HydrophobicContact CB-CE1 4.06Å; H87-F91 WeakPolarHBondContact O-CD1 3.46Å; F88-F91 HydrophobicContact CD2-CD2 4.25Å; F88-F91 WeakPolarHBondContact O-CB 3.49Å; F88-F91 PolarHBondContact O-N 3.21Å; F88-F91 VanDerWaalsContact O-N 3.09Å; F91-N93 PolarHBondContact O-N 2.78Å; F91-V95 HydrophobicContact CD2-CG1 4.38Å; F91-T96 WeakPolarHBondContact CB-OG1 3.41Å; F91-I99 HydrophobicContact CD2-CD1 4.13Å; F91-I99 HydrophobicContact CE2-CD1 4.06Å |
| 92 | P | 91 | Very high | 92.5 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | trans | -58.5 | 139.2 | 171.9 | -21.2 | 30.9 | 0 | 0 | 0 | 110.9 | P52 G94 V95 T96 | P52-P92 HydrophobicContact CB-CG 3.69Å; P92-G94 PolarHBondContact O-N 3.11Å; P92-G94 VanDerWaalsContact O-N 3.1Å; P92-V95 HydrophobicContact CB-CB 4.39Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.07Å; P92-V95 WeakPolarHBondContact O-CA 3.46Å; P92-V95 WeakPolarHBondContact O-CB 3.42Å; P92-V95 PolarHBondContact O-N 2.99Å; P92-T96 PolarHBondContact O-N 2.94Å; P92-T96 PolarHBondContact O-OG1 2.76Å | ||
| 93 | N | 87.4 | Confident | 92.6 | Very high | 131 Ų | 131 | 54 Ų | 54 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -51.6 | -41.3 | -177.9 | -68.1 | -9.5 | 0 | 0 | 0 | 113.2 | F91 V95 T96 D97 | F91-N93 PolarHBondContact O-N 2.78Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.84Å; N93-T96 PolarHBondContact O-N 3.01Å; N93-D97 WeakPolarHBondContact O-CB 3.34Å; N93-D97 VanDerWaalsContact O-CG 3.23Å; N93-D97 PolarHBondContact O-N 3.04Å |
| 94 | G | 89.3 | Confident | 92.7 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -29.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P92 F98 | P92-G94 PolarHBondContact O-N 3.11Å; P92-G94 VanDerWaalsContact O-N 3.1Å; G94-F98 VanDerWaalsContact O-CB 3.27Å; G94-F98 WeakPolarHBondContact O-CB 3.32Å; G94-F98 PolarHBondContact O-N 3.48Å; G94-F98 VanDerWaalsContact O-N 3.15Å |
| 95 | V | 91.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75 | -46.4 | 174.4 | 169.6 | 0 | 0 | 0 | 0 | 109.5 | P52 N55 N56 F91 P92 N93 D97 F98 I99 | P52-V95 WeakPolarHBondContact O-CG2 3.29Å; N55-V95 HydrophobicContact CB-CG1 4Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.46Å; F91-V95 HydrophobicContact CD2-CG1 4.38Å; P92-V95 HydrophobicContact CB-CB 4.39Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.07Å; P92-V95 WeakPolarHBondContact O-CA 3.46Å; P92-V95 WeakPolarHBondContact O-CB 3.42Å; P92-V95 PolarHBondContact O-N 2.99Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.84Å; V95-D97 PolarHBondContact O-N 3.35Å; V95-F98 PolarHBondContact O-N 2.89Å; V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CD1 3.06Å; V95-I99 VanDerWaalsContact O-CG1 3.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.27Å |
| 96 | T | 92.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | F88 F91 P92 N93 F98 I99 K100 | F88-T96 HydrophobicContact CE2-CG2 3.97Å; F88-T96 HydrophobicContact CZ-CG2 3.66Å; F91-T96 WeakPolarHBondContact CB-OG1 3.41Å; P92-T96 PolarHBondContact O-N 2.94Å; P92-T96 PolarHBondContact O-OG1 2.76Å; N93-T96 PolarHBondContact O-N 3.01Å; T96-F98 PolarHBondContact O-N 3.05Å; T96-I99 PolarHBondContact O-N 2.98Å; T96-K100 HydrophobicContact CG2-CD 4.07Å; T96-K100 HydrophobicContact CG2-CG 4.44Å; T96-K100 WeakPolarHBondContact O-CB 3.44Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.31Å; T96-K100 PolarHBondContact O-N 3.19Å |
| 97 | D | 92.9 | Very high | 93 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 53% | 0.529 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.3 | -68.6 | -20.6 | 0 | 0 | 0 | 112 | N93 V95 S101 | N93-D97 WeakPolarHBondContact O-CB 3.34Å; N93-D97 VanDerWaalsContact O-CG 3.23Å; N93-D97 PolarHBondContact O-N 3.04Å; V95-D97 PolarHBondContact O-N 3.35Å; D97-S101 VanDerWaalsContact O-CB 3.31Å; D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.06Å |
| 98 | F | 93.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 175.2 | -178.7 | -110.7 | 0 | 0 | 0 | 111.5 | W13 N56 I59 G94 V95 T96 S101 E102 | W13-F98 HydrophobicContact CB-CD2 4.42Å; W13-F98 HydrophobicContact CB-CE2 4.18Å; W13-F98 HydrophobicContact CB-CZ 4.33Å; W13-F98 HydrophobicContact CD2-CE1 4.39Å; W13-F98 HydrophobicContact CD2-CZ 4.46Å; W13-F98 AromaticContact CE3-CE1 3.92Å; W13-F98 HydrophobicContact CE3-CE1 3.92Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.48Å; N56-F98 HydrophobicContact CB-CD1 3.98Å; N56-F98 HydrophobicContact CB-CE1 3.96Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.41Å; I59-F98 HydrophobicContact CG2-CD1 3.76Å; I59-F98 HydrophobicContact CG2-CE1 3.52Å; G94-F98 VanDerWaalsContact O-CB 3.27Å; G94-F98 WeakPolarHBondContact O-CB 3.32Å; G94-F98 PolarHBondContact O-N 3.48Å; G94-F98 VanDerWaalsContact O-N 3.15Å; V95-F98 PolarHBondContact O-N 2.89Å; T96-F98 PolarHBondContact O-N 3.05Å; F98-S101 PolarHBondContact O-N 2.93Å; F98-E102 HydrophobicContact CD1-CG 4.46Å; F98-E102 HydrophobicContact CD2-CG 4.25Å; F98-E102 HydrophobicContact CE1-CG 4.14Å; F98-E102 HydrophobicContact CE2-CG 3.9Å; F98-E102 HydrophobicContact CZ-CG 3.84Å; F98-E102 WeakPolarHBondContact O-CB 3.32Å; F98-E102 WeakPolarHBondContact O-CG 3.48Å; F98-E102 PolarHBondContact O-N 3.1Å |
| 99 | I | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 178.3 | -64.9 | 160.1 | 0 | 0 | 0 | 110.8 | N55 I59 L80 F91 V95 T96 S101 E102 C103 L121 I125 | N55-I99 HydrophobicContact CB-CD1 3.9Å; I59-I99 HydrophobicContact CB-CG1 4.25Å; I59-I99 HydrophobicContact CD1-CG2 4.45Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.98Å; L80-I99 HydrophobicContact CD1-CD1 4.14Å; L80-I99 HydrophobicContact CD2-CG1 4.45Å; L80-I99 HydrophobicContact CD2-CG2 4.14Å; F91-I99 HydrophobicContact CD2-CD1 4.13Å; F91-I99 HydrophobicContact CE2-CD1 4.06Å; V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CD1 3.06Å; V95-I99 VanDerWaalsContact O-CG1 3.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.27Å; T96-I99 PolarHBondContact O-N 2.98Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 2.86Å; I99-E102 PolarHBondContact O-N 2.94Å; I99-C103 WeakPolarHBondContact O-CB 3.5Å; I99-C103 PolarHBondContact O-N 3.13Å; I99-C103 PolarHBondContact O-SG 3.22Å; I99-L121 HydrophobicContact CG2-CD2 4.17Å; I99-I125 HydrophobicContact CG2-CD1 3.7Å |
| 100 | K | 96 | Very high | 93.8 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.1 | -47 | 177.4 | -76.2 | 179.4 | 171.7 | -177.8 | 0 | 111.5 | T96 L104 I125 N133 W134 | T96-K100 HydrophobicContact CG2-CD 4.07Å; T96-K100 HydrophobicContact CG2-CG 4.44Å; T96-K100 WeakPolarHBondContact O-CB 3.44Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.31Å; T96-K100 PolarHBondContact O-N 3.19Å; K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 3.49Å; K100-L104 VanDerWaalsContact O-N 3.16Å; K100-I125 HydrophobicContact CG-CG2 4.37Å; K100-N133 PolarHBondContact NZ-O 3.19Å; K100-W134 HydrophobicContact CB-CH2 4Å; K100-W134 HydrophobicContact CB-CZ2 3.41Å; K100-W134 VanDerWaalsContact CB-CZ2 3.41Å; K100-W134 HydrophobicContact CD-CD2 3.7Å; K100-W134 HydrophobicContact CD-CE3 4.25Å; K100-W134 HydrophobicContact CD-CG 3.97Å; K100-W134 HydrophobicContact CD-CZ2 4.1Å; K100-W134 HydrophobicContact CG-CD2 3.89Å; K100-W134 HydrophobicContact CG-CE3 4.12Å; K100-W134 HydrophobicContact CG-CH2 3.72Å; K100-W134 HydrophobicContact CG-CZ2 3.45Å; K100-W134 VanDerWaalsContact CG-CZ2 3.45Å; K100-W134 HydrophobicContact CG-CZ3 4.05Å |
| 101 | S | 95.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | D97 F98 I99 C103 L104 N105 | D97-S101 VanDerWaalsContact O-CB 3.31Å; D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.06Å; F98-S101 PolarHBondContact O-N 2.93Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 2.86Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 2.95Å; S101-L104 PolarHBondContact O-N 3.3Å; S101-N105 WeakPolarHBondContact O-CB 3.4Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 3.45Å; S101-N105 PolarHBondContact O-ND2 3.34Å; S101-N105 VanDerWaalsContact O-ND2 3.11Å; S101-N105 PolarHBondContact OG-ND2 2.9Å |
| 102 | E | 95.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 179.1 | -73.4 | -63.5 | 143.8 | 0 | 0 | 112.4 | I59 T63 K64 F98 I99 N105 N106 | I59-E102 HydrophobicContact CD1-CB 4.26Å; I59-E102 HydrophobicContact CG1-CB 3.52Å; I59-E102 HydrophobicContact CG1-CG 4.23Å; T63-E102 HydrophobicContact CG2-CB 4.32Å; T63-E102 PolarHBondContact OG1-OE2 2.96Å; K64-E102 VanDerWaalsContact CE-CD 3.47Å; K64-E102 WeakPolarHBondContact CE-OE1 3.41Å; K64-E102 VanDerWaalsContact CE-OE2 3.26Å; K64-E102 WeakPolarHBondContact CE-OE2 3.32Å; K64-E102 IonicContact NZ-OE1 2.77Å; K64-E102 PolarHBondContact NZ-OE1 3.19Å; K64-E102 IonicContact NZ-OE2 3.66Å; F98-E102 HydrophobicContact CD1-CG 4.46Å; F98-E102 HydrophobicContact CD2-CG 4.25Å; F98-E102 HydrophobicContact CE1-CG 4.14Å; F98-E102 HydrophobicContact CE2-CG 3.9Å; F98-E102 HydrophobicContact CZ-CG 3.84Å; F98-E102 WeakPolarHBondContact O-CB 3.32Å; F98-E102 WeakPolarHBondContact O-CG 3.48Å; F98-E102 PolarHBondContact O-N 3.1Å; I99-E102 PolarHBondContact O-N 2.94Å; E102-N105 PolarHBondContact O-N 2.91Å; E102-N106 WeakPolarHBondContact O-CB 3.45Å; E102-N106 PolarHBondContact O-N 3.32Å; E102-N106 VanDerWaalsContact O-N 3.15Å; E102-N106 PolarHBondContact O-ND2 3.47Å; E102-N106 PolarHBondContact OE2-ND2 3.45Å |
| 103 | C | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -51.5 | 174.2 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | I99 S101 N105 N106 I107 V118 L121 I122 | I99-C103 WeakPolarHBondContact O-CB 3.5Å; I99-C103 PolarHBondContact O-N 3.13Å; I99-C103 PolarHBondContact O-SG 3.22Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 2.95Å; C103-N105 VanDerWaalsContact C-N 3.29Å; C103-N105 PolarHBondContact O-N 2.88Å; C103-N106 PolarHBondContact O-N 3.43Å; C103-I107 PolarHBondContact O-N 3.05Å; C103-V118 HydrophobicContact CB-CG1 4.11Å; C103-V118 VanDerWaalsContact O-CG1 3.28Å; C103-V118 WeakPolarHBondContact O-CG1 3.37Å; C103-L121 WeakPolarHBondContact SG-CD2 3.48Å; C103-I122 HydrophobicContact CB-CD1 4.07Å; C103-I122 HydrophobicContact CB-CG1 3.7Å |
| 104 | L | 96.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -33 | -178.6 | -70.6 | 172.4 | 0 | 0 | 0 | 112.8 | K100 S101 I122 W134 L137 K140 L141 | K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 3.49Å; K100-L104 VanDerWaalsContact O-N 3.16Å; S101-L104 PolarHBondContact O-N 3.3Å; L104-I122 HydrophobicContact CD2-CD1 4.47Å; L104-W134 HydrophobicContact CD1-CZ2 3.84Å; L104-W134 HydrophobicContact CG-CZ2 4.01Å; L104-L137 HydrophobicContact CD2-CD1 3.85Å; L104-K140 HydrophobicContact CD1-CG 4.21Å; L104-K140 HydrophobicContact CD2-CB 4.46Å; L104-K140 HydrophobicContact CD2-CG 4.08Å; L104-L141 HydrophobicContact CD2-CD2 4.13Å |
| 105 | N | 94.8 | Very high | 95.5 | Very high | 105 Ų | 105 | 32.8 Ų | 32.8 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -76.3 | -20.6 | 178.4 | -69.4 | -29.4 | 0 | 0 | 0 | 113.6 | S101 E102 C103 | S101-N105 WeakPolarHBondContact O-CB 3.4Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 3.45Å; S101-N105 PolarHBondContact O-ND2 3.34Å; S101-N105 VanDerWaalsContact O-ND2 3.11Å; S101-N105 PolarHBondContact OG-ND2 2.9Å; E102-N105 PolarHBondContact O-N 2.91Å; C103-N105 VanDerWaalsContact C-N 3.29Å; C103-N105 PolarHBondContact O-N 2.88Å |
| 106 | N | 96.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -119.1 | 12.4 | -174.7 | -65.4 | -88.5 | 0 | 0 | 0 | 113.7 | T63 E102 C103 G108 D109 | T63-N106 VanDerWaalsContact CB-CG 3.49Å; T63-N106 WeakPolarHBondContact CB-ND2 3.45Å; T63-N106 HydrophobicContact CG2-CB 3.73Å; E102-N106 WeakPolarHBondContact O-CB 3.45Å; E102-N106 PolarHBondContact O-N 3.32Å; E102-N106 VanDerWaalsContact O-N 3.15Å; E102-N106 PolarHBondContact O-ND2 3.47Å; E102-N106 PolarHBondContact OE2-ND2 3.45Å; C103-N106 PolarHBondContact O-N 3.43Å; N106-G108 PolarHBondContact O-N 2.88Å; N106-D109 PolarHBondContact O-N 2.91Å; N106-D109 VanDerWaalsContact O-N 3.12Å |
| 107 | I | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.5 | 175.5 | -160.5 | 170.3 | 0 | 0 | 0 | 112.8 | C103 R115 V118 I122 L141 L144 A156 A159 | C103-I107 PolarHBondContact O-N 3.05Å; I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.39Å; I107-V118 HydrophobicContact CB-CG1 4.23Å; I107-V118 HydrophobicContact CG1-CG1 4.37Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.26Å; I107-L141 HydrophobicContact CD1-CD2 3.33Å; I107-L144 HydrophobicContact CG2-CD1 3.64Å; I107-A156 HydrophobicContact CD1-CB 4.36Å; I107-A159 HydrophobicContact CD1-CB 4Å |
| 108 | G | 96.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 26 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N106 | N106-G108 PolarHBondContact O-N 2.88Š|
| 109 | D | 97.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | trans | -52.7 | 147.9 | 175.8 | -167.9 | -72.6 | 0 | 0 | 0 | 111.3 | R73 N106 S111 I114 R115 | R73-D109 IonicContact CZ-OD2 3.82Å; R73-D109 IonicContact NH1-OD2 3.88Å; R73-D109 IonicContact NH2-OD2 2.84Å; R73-D109 PolarHBondContact NH2-OD2 2.96Å; N106-D109 PolarHBondContact O-N 2.91Å; N106-D109 VanDerWaalsContact O-N 3.12Å; D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact OD1-N 3.24Å; D109-I114 HydrophobicContact CB-CB 4.17Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; D109-R115 HydrophobicContact CB-CG 4.07Å; D109-R115 WeakPolarHBondContact O-CD 3.1Å; D109-R115 WeakPolarHBondContact O-CG 3.27Å; D109-R115 PolarHBondContact O-NH1 2.96Å | ||
| 110 | S | 95.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 30.1 Ų | 30.1 | 65% | 0.65 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -65.1 | -28.8 | 179.9 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | P112 R115 | S110-P112 WeakPolarHBondContact O-CD 3.17Å; S110-R115 VanDerWaalsContact C-NH1 3.34Å; S110-R115 PolarHBondContact O-NH1 3.38Å |
| 111 | S | 96.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | trans | -81.2 | 123.4 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | E70 D109 L113 I114 R115 | E70-S111 WeakPolarHBondContact OE2-CB 3.5Å; E70-S111 PolarHBondContact OE2-OG 2.86Å; D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact OD1-N 3.24Å; S111-L113 PolarHBondContact O-N 3.44Å; S111-L113 PolarHBondContact OG-N 2.82Å; S111-I114 PolarHBondContact O-N 2.94Å; S111-I114 PolarHBondContact OG-N 2.7Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 3.38Å | ||
| 112 | P | 95.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 26.1 Ų | 26.1 | 51% | 0.513 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58 | -35.5 | 173.4 | -23.4 | 33.7 | 0 | 0 | 0 | 113.2 | S110 A116 | S110-P112 WeakPolarHBondContact O-CD 3.17Å; P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.31Å |
| 113 | L | 96.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 26 Ų | 26 | 39% | 0.393 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 177.5 | 177.5 | 61.8 | 0 | 0 | 0 | 110.8 | E70 S111 A116 T117 | E70-L113 HydrophobicContact CB-CD2 4.25Å; S111-L113 PolarHBondContact O-N 3.44Å; S111-L113 PolarHBondContact OG-N 2.82Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-T117 PolarHBondContact O-N 2.92Å; L113-T117 PolarHBondContact O-OG1 2.8Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å |
| 114 | I | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 179 | -57.7 | -57.6 | 0 | 0 | 0 | 111.1 | L62 R73 D109 S111 A116 T117 V118 | L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.04Å; R73-I114 HydrophobicContact CB-CD1 3.55Å; D109-I114 HydrophobicContact CB-CB 4.17Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; S111-I114 PolarHBondContact O-N 2.94Å; S111-I114 PolarHBondContact OG-N 2.7Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 2.98Å; I114-T117 PolarHBondContact O-N 2.94Å; I114-V118 HydrophobicContact CG2-CG2 4.34Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 3.41Å |
| 115 | R | 96.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 4% | 0.038 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.9 | -69.2 | -161 | -58.3 | -78.5 | 4.1 | 112.3 | I107 D109 S110 S111 T117 V118 G119 N151 E154 | I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.39Å; D109-R115 HydrophobicContact CB-CG 4.07Å; D109-R115 WeakPolarHBondContact O-CD 3.1Å; D109-R115 WeakPolarHBondContact O-CG 3.27Å; D109-R115 PolarHBondContact O-NH1 2.96Å; S110-R115 VanDerWaalsContact C-NH1 3.34Å; S110-R115 PolarHBondContact O-NH1 3.38Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 3.38Å; R115-T117 VanDerWaalsContact C-N 3.34Å; R115-T117 PolarHBondContact O-N 3.39Å; R115-V118 PolarHBondContact O-N 3.25Å; R115-G119 PolarHBondContact O-N 2.89Å; R115-N151 VanDerWaalsContact CD-O 3.27Å; R115-N151 WeakPolarHBondContact CD-O 3.3Å; R115-N151 PolarHBondContact NH1-OD1 3.3Å; R115-N151 VanDerWaalsContact NH1-OD1 3.16Å; R115-E154 IonicContact CZ-OE2 3.22Å; R115-E154 VanDerWaalsContact CZ-OE2 3.22Å; R115-E154 IonicContact NE-OE2 2.74Å; R115-E154 PolarHBondContact NE-OE2 2.85Å; R115-E154 IonicContact NH2-OE2 2.81Å; R115-E154 PolarHBondContact NH2-OE2 2.86Å |
| 116 | A | 96.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 21.4 Ų | 21.4 | 37% | 0.372 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P112 L113 I114 G119 I120 | P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.31Å; L113-A116 PolarHBondContact O-N 3.41Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 2.98Å; A116-G119 PolarHBondContact O-N 3.49Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 3.36Å |
| 117 | T | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | L62 S74 L78 L113 I114 R115 G119 I120 L121 | L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.28Å; S74-T117 PolarHBondContact OG-OG1 3.46Å; L78-T117 HydrophobicContact CG-CG2 4.49Å; L113-T117 PolarHBondContact O-N 2.92Å; L113-T117 PolarHBondContact O-OG1 2.8Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å; I114-T117 PolarHBondContact O-N 2.94Å; R115-T117 VanDerWaalsContact C-N 3.34Å; R115-T117 PolarHBondContact O-N 3.39Å; T117-G119 VanDerWaalsContact C-N 3.34Å; T117-I120 PolarHBondContact O-N 2.98Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 PolarHBondContact O-N 3.02Å |
| 118 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.3 | 171 | 0 | 0 | 0 | 0 | 110.7 | L62 C103 I107 I114 R115 I120 L121 I122 | L62-V118 HydrophobicContact CD2-CG2 3.88Å; L62-V118 HydrophobicContact CG-CG2 4.32Å; C103-V118 HydrophobicContact CB-CG1 4.11Å; C103-V118 VanDerWaalsContact O-CG1 3.28Å; C103-V118 WeakPolarHBondContact O-CG1 3.37Å; I107-V118 HydrophobicContact CB-CG1 4.23Å; I107-V118 HydrophobicContact CG1-CG1 4.37Å; I114-V118 HydrophobicContact CG2-CG2 4.34Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 3.41Å; R115-V118 PolarHBondContact O-N 3.25Å; V118-I120 PolarHBondContact O-N 3.4Å; V118-L121 PolarHBondContact O-N 3.38Å; V118-I122 HydrophobicContact CG1-CD1 4.01Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.19Å |
| 119 | G | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R115 A116 T117 L121 I122 T123 | R115-G119 PolarHBondContact O-N 2.89Å; A116-G119 PolarHBondContact O-N 3.49Å; T117-G119 VanDerWaalsContact C-N 3.34Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.4Å; G119-I122 PolarHBondContact O-N 3.12Å; G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.48Å; G119-T123 PolarHBondContact O-N 3.02Å; G119-T123 PolarHBondContact O-OG1 2.67Å |
| 120 | I | 96.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 26% | 0.256 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.8 | -70.5 | 163.8 | 0 | 0 | 0 | 111.2 | K81 A116 T117 V118 T123 T124 K162 | K81-I120 HydrophobicContact CD-CG2 3.69Å; K81-I120 HydrophobicContact CG-CG2 3.84Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 3.36Å; T117-I120 PolarHBondContact O-N 2.98Å; V118-I120 PolarHBondContact O-N 3.4Å; I120-T123 PolarHBondContact O-N 2.93Å; I120-T123 PolarHBondContact O-OG1 3.04Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.41Å; I120-K162 HydrophobicContact CG1-CD 4.48Å |
| 121 | L | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | 178.4 | -176.9 | 58.6 | 0 | 0 | 0 | 111.4 | I59 L62 L80 K81 V84 I99 C103 T117 V118 G119 T123 T124 I125 | I59-L121 HydrophobicContact CD1-CD2 3.85Å; L62-L121 HydrophobicContact CD2-CD2 4.43Å; L80-L121 HydrophobicContact CD2-CD1 4.37Å; L80-L121 HydrophobicContact CD2-CD2 3.57Å; L80-L121 HydrophobicContact CG-CD1 3.95Å; L80-L121 HydrophobicContact CG-CD2 4.04Å; K81-L121 HydrophobicContact CB-CD1 4.38Å; V84-L121 HydrophobicContact CG2-CD1 3.96Å; I99-L121 HydrophobicContact CG2-CD2 4.17Å; C103-L121 WeakPolarHBondContact SG-CD2 3.48Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 3.38Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.4Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.32Å; L121-T124 PolarHBondContact O-N 3.36Å; L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.29Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 WeakPolarHBondContact O-CB 3.29Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 3.04Å |
| 122 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 174.1 | -72.5 | 170.9 | 0 | 0 | 0 | 110.7 | C103 L104 I107 V118 G119 I125 A126 W134 L137 A159 I163 | C103-I122 HydrophobicContact CB-CD1 4.07Å; C103-I122 HydrophobicContact CB-CG1 3.7Å; L104-I122 HydrophobicContact CD2-CD1 4.47Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.26Å; V118-I122 HydrophobicContact CG1-CD1 4.01Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.19Å; G119-I122 PolarHBondContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.43Å; I122-A126 WeakPolarHBondContact O-CB 3.5Å; I122-A126 PolarHBondContact O-N 3.01Å; I122-W134 HydrophobicContact CG1-CH2 4.23Å; I122-W134 HydrophobicContact CG2-CH2 4.41Å; I122-W134 HydrophobicContact CG2-CZ3 4.32Å; I122-L137 HydrophobicContact CG2-CD1 3.68Å; I122-L137 HydrophobicContact CG2-CD2 4.09Å; I122-L137 HydrophobicContact CG2-CG 4.49Å; I122-A159 HydrophobicContact CG2-CB 4.35Å; I122-I163 HydrophobicContact CG2-CD1 4.29Å |
| 123 | T | 95.5 | Very high | 95.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | -177.4 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | G119 I120 L121 I125 A126 S127 K162 I163 | G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.48Å; G119-T123 PolarHBondContact O-N 3.02Å; G119-T123 PolarHBondContact O-OG1 2.67Å; I120-T123 PolarHBondContact O-N 2.93Å; I120-T123 PolarHBondContact O-OG1 3.04Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.32Å; T123-I125 PolarHBondContact O-N 2.94Å; T123-A126 PolarHBondContact O-N 2.98Å; T123-S127 WeakPolarHBondContact O-CB 3.42Å; T123-S127 PolarHBondContact O-N 2.88Å; T123-K162 HydrophobicContact CG2-CB 3.35Å; T123-K162 HydrophobicContact CG2-CD 4.09Å; T123-K162 HydrophobicContact CG2-CG 4.34Å; T123-I163 HydrophobicContact CG2-CG1 3.75Å |
| 124 | T | 96 | Very high | 95 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.2 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | K81 V84 K85 I120 L121 S127 K128 | K81-T124 HydrophobicContact CG-CG2 3.96Å; K81-T124 WeakPolarHBondContact CG-OG1 3.4Å; V84-T124 HydrophobicContact CB-CG2 4.2Å; V84-T124 HydrophobicContact CG1-CG2 3.69Å; K85-T124 HydrophobicContact CB-CG2 4.3Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.41Å; L121-T124 PolarHBondContact O-N 3.36Å; T124-S127 PolarHBondContact O-N 2.72Å; T124-K128 HydrophobicContact CG2-CG 4.43Å; T124-K128 WeakPolarHBondContact O-CB 3.49Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.33Å |
| 125 | I | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.3 | -69.2 | 167.6 | 0 | 0 | 0 | 110.6 | V84 F88 I99 K100 L121 I122 T123 G129 W134 | V84-I125 HydrophobicContact CG1-CB 4.48Å; V84-I125 HydrophobicContact CG1-CG1 3.78Å; V84-I125 HydrophobicContact CG2-CG1 4.01Å; F88-I125 HydrophobicContact CE2-CB 4.35Å; F88-I125 HydrophobicContact CE2-CG1 4.08Å; F88-I125 HydrophobicContact CE2-CG2 3.75Å; F88-I125 HydrophobicContact CZ-CG2 3.67Å; I99-I125 HydrophobicContact CG2-CD1 3.7Å; K100-I125 HydrophobicContact CG-CG2 4.37Å; L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.29Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 WeakPolarHBondContact O-CB 3.29Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 3.04Å; I122-I125 PolarHBondContact O-N 3.43Å; T123-I125 PolarHBondContact O-N 2.94Å; I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.23Å; I125-W134 HydrophobicContact CB-CE3 4.31Å; I125-W134 HydrophobicContact CB-CZ3 3.79Å; I125-W134 HydrophobicContact CD1-CZ3 4.43Å; I125-W134 HydrophobicContact CG2-CE3 3.53Å; I125-W134 HydrophobicContact CG2-CH2 4.38Å; I125-W134 HydrophobicContact CG2-CZ3 3.4Å |
| 126 | A | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I122 T123 E130 L131 L137 | I122-A126 WeakPolarHBondContact O-CB 3.5Å; I122-A126 PolarHBondContact O-N 3.01Å; T123-A126 PolarHBondContact O-N 2.98Å; A126-E130 CarbonylContact O-C 3.59Å; A126-E130 VanDerWaalsContact O-C 3.28Å; A126-E130 WeakPolarHBondContact O-CA 3.39Å; A126-E130 PolarHBondContact O-N 3.43Å; A126-L131 HydrophobicContact CB-CD1 4.04Å; A126-L131 PolarHBondContact O-N 3.21Å; A126-L131 VanDerWaalsContact O-N 3.15Å; A126-L137 HydrophobicContact CB-CD2 3.96Å |
| 127 | S | 92.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.9 | -47.3 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | T123 T124 | T123-S127 WeakPolarHBondContact O-CB 3.42Å; T123-S127 PolarHBondContact O-N 2.88Å; T124-S127 PolarHBondContact O-N 2.72Å |
| 128 | K | 93.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -84 | -24.6 | -176.2 | -65.1 | -52.8 | -174.4 | -169.4 | 0 | 115.1 | V84 F88 T124 | V84-K128 HydrophobicContact CG1-CB 4.4Å; F88-K128 HydrophobicContact CB-CB 4.07Å; F88-K128 HydrophobicContact CD1-CB 4.46Å; F88-K128 HydrophobicContact CG-CB 4.36Å; T124-K128 HydrophobicContact CG2-CG 4.43Å; T124-K128 WeakPolarHBondContact O-CB 3.49Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.33Å |
| 129 | G | 91.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -91.5 | -3.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F88 I125 N133 | F88-G129 VanDerWaalsContact CD1-CA 3.46Å; I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.23Å; G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-ND2 2.91Å |
| 130 | E | 90.9 | Very high | 94.6 | Very high | 101 Ų | 101 | 44.4 Ų | 44.4 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | trans | 61.4 | 126.8 | -163.9 | -47.2 | 167.6 | 177.8 | 0 | 0 | 111.9 | A126 Q132 N133 | A126-E130 CarbonylContact O-C 3.59Å; A126-E130 VanDerWaalsContact O-C 3.28Å; A126-E130 WeakPolarHBondContact O-CA 3.39Å; A126-E130 PolarHBondContact O-N 3.43Å; E130-Q132 HydrophobicContact CB-CG 4.01Å; E130-Q132 PolarHBondContact O-N 3.03Å; E130-Q132 VanDerWaalsContact O-N 3.11Å; E130-Q132 PolarHBondContact OE2-NE2 2.95Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 PolarHBondContact OE2-ND2 3.41Å | ||
| 131 | L | 92.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -57.4 | -33 | -174.5 | -176.1 | 56.2 | 0 | 0 | 0 | 113 | A126 N133 W134 L137 L138 I163 I170 L171 L176 | A126-L131 HydrophobicContact CB-CD1 4.04Å; A126-L131 PolarHBondContact O-N 3.21Å; A126-L131 VanDerWaalsContact O-N 3.15Å; L131-N133 PolarHBondContact O-N 2.99Å; L131-W134 PolarHBondContact O-N 3.38Å; L131-W134 VanDerWaalsContact O-N 3.09Å; L131-L137 HydrophobicContact CD1-CD2 3.83Å; L131-L138 HydrophobicContact CD1-CD2 4.4Å; L131-L138 HydrophobicContact CD1-CG 4.35Å; L131-L138 HydrophobicContact CD2-CD1 4.25Å; L131-I163 HydrophobicContact CD2-CG2 4.1Å; L131-I170 HydrophobicContact CD2-CG2 4.11Å; L131-L171 HydrophobicContact CD2-CD2 3.8Å; L131-L171 HydrophobicContact CD2-CG 4.4Å; L131-L176 HydrophobicContact CB-CD1 4.35Å; L131-L176 HydrophobicContact CD2-CD1 3.64Å; L131-L176 HydrophobicContact CG-CD1 3.84Å |
| 132 | Q | 91.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.7 | 175.8 | 66.9 | -152.9 | 20 | 0 | 0 | 114.7 | E130 W134 V175 L176 | E130-Q132 HydrophobicContact CB-CG 4.01Å; E130-Q132 PolarHBondContact O-N 3.03Å; E130-Q132 VanDerWaalsContact O-N 3.11Å; E130-Q132 PolarHBondContact OE2-NE2 2.95Å; Q132-W134 PolarHBondContact O-N 2.85Å; Q132-V175 HydrophobicContact CB-CG1 4.35Å; Q132-L176 HydrophobicContact CB-CD2 3.82Å |
| 133 | N | 92.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -87.1 | 6.1 | 178.3 | -59.8 | -37.9 | 0 | 0 | 0 | 112.4 | K100 G129 E130 L131 P135 | K100-N133 PolarHBondContact NZ-O 3.19Å; G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-ND2 2.91Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 PolarHBondContact OE2-ND2 3.41Å; L131-N133 PolarHBondContact O-N 2.99Å; N133-P135 VanDerWaalsContact C-CD 3.49Å |
| 134 | W | 94.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | trans | -130.5 | 63.7 | 171 | -161.4 | -5.9 | 0 | 0 | 0 | 111 | K100 L104 I122 I125 L131 Q132 D136 L137 | K100-W134 HydrophobicContact CB-CH2 4Å; K100-W134 HydrophobicContact CB-CZ2 3.41Å; K100-W134 VanDerWaalsContact CB-CZ2 3.41Å; K100-W134 HydrophobicContact CD-CD2 3.7Å; K100-W134 HydrophobicContact CD-CE3 4.25Å; K100-W134 HydrophobicContact CD-CG 3.97Å; K100-W134 HydrophobicContact CD-CZ2 4.1Å; K100-W134 HydrophobicContact CG-CD2 3.89Å; K100-W134 HydrophobicContact CG-CE3 4.12Å; K100-W134 HydrophobicContact CG-CH2 3.72Å; K100-W134 HydrophobicContact CG-CZ2 3.45Å; K100-W134 VanDerWaalsContact CG-CZ2 3.45Å; K100-W134 HydrophobicContact CG-CZ3 4.05Å; L104-W134 HydrophobicContact CD1-CZ2 3.84Å; L104-W134 HydrophobicContact CG-CZ2 4.01Å; I122-W134 HydrophobicContact CG1-CH2 4.23Å; I122-W134 HydrophobicContact CG2-CH2 4.41Å; I122-W134 HydrophobicContact CG2-CZ3 4.32Å; I125-W134 HydrophobicContact CB-CE3 4.31Å; I125-W134 HydrophobicContact CB-CZ3 3.79Å; I125-W134 HydrophobicContact CD1-CZ3 4.43Å; I125-W134 HydrophobicContact CG2-CE3 3.53Å; I125-W134 HydrophobicContact CG2-CH2 4.38Å; I125-W134 HydrophobicContact CG2-CZ3 3.4Å; L131-W134 PolarHBondContact O-N 3.38Å; L131-W134 VanDerWaalsContact O-N 3.09Å; Q132-W134 PolarHBondContact O-N 2.85Å; W134-D136 PolarHBondContact O-N 2.94Å; W134-D136 VanDerWaalsContact O-N 3.13Å; W134-L137 HydrophobicContact CB-CB 4.23Å; W134-L137 HydrophobicContact CD2-CB 3.83Å; W134-L137 HydrophobicContact CD2-CD1 4.3Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.28Å; W134-L137 HydrophobicContact CE3-CB 4.38Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 HydrophobicContact CE3-CD2 3.71Å; W134-L137 HydrophobicContact CE3-CG 4.37Å; W134-L137 HydrophobicContact CG-CB 3.75Å; W134-L137 HydrophobicContact CH2-CD1 4.07Å; W134-L137 HydrophobicContact CZ2-CD1 4Å; W134-L137 HydrophobicContact CZ3-CD1 4.22Å; W134-L137 HydrophobicContact CZ3-CD2 4.07Å; W134-L137 VanDerWaalsContact O-CB 3.22Å; W134-L137 WeakPolarHBondContact O-CB 3.21Å; W134-L137 PolarHBondContact O-N 3.15Å | ||
| 135 | P | 92 | Very high | 94.8 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 58% | 0.584 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.4 | -170.7 | 24.9 | -35.7 | 0 | 0 | 0 | 113.8 | N133 L137 P139 | N133-P135 VanDerWaalsContact C-CD 3.49Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 3.21Å; P135-P139 WeakPolarHBondContact O-CD 3.29Å; P135-P139 WeakPolarHBondContact O-CG 3.32Å |
| 136 | D | 93.5 | Very high | 94.8 | Very high | 117 Ų | 117 | 50 Ų | 50 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11.8 | 179.1 | -59.9 | -35.6 | 0 | 0 | 0 | 113.5 | W134 K140 | W134-D136 PolarHBondContact O-N 2.94Å; W134-D136 VanDerWaalsContact O-N 3.13Å; D136-K140 WeakPolarHBondContact O-CB 3.42Å; D136-K140 PolarHBondContact O-N 3.45Å |
| 137 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -61.9 | -173.5 | 178 | 59.2 | 0 | 0 | 0 | 112.4 | L104 I122 A126 L131 W134 P135 K140 L141 I163 | L104-L137 HydrophobicContact CD2-CD1 3.85Å; I122-L137 HydrophobicContact CG2-CD1 3.68Å; I122-L137 HydrophobicContact CG2-CD2 4.09Å; I122-L137 HydrophobicContact CG2-CG 4.49Å; A126-L137 HydrophobicContact CB-CD2 3.96Å; L131-L137 HydrophobicContact CD1-CD2 3.83Å; W134-L137 HydrophobicContact CB-CB 4.23Å; W134-L137 HydrophobicContact CD2-CB 3.83Å; W134-L137 HydrophobicContact CD2-CD1 4.3Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.28Å; W134-L137 HydrophobicContact CE3-CB 4.38Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 HydrophobicContact CE3-CD2 3.71Å; W134-L137 HydrophobicContact CE3-CG 4.37Å; W134-L137 HydrophobicContact CG-CB 3.75Å; W134-L137 HydrophobicContact CH2-CD1 4.07Å; W134-L137 HydrophobicContact CZ2-CD1 4Å; W134-L137 HydrophobicContact CZ3-CD1 4.22Å; W134-L137 HydrophobicContact CZ3-CD2 4.07Å; W134-L137 VanDerWaalsContact O-CB 3.22Å; W134-L137 WeakPolarHBondContact O-CB 3.21Å; W134-L137 PolarHBondContact O-N 3.15Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 3.21Å; L137-K140 PolarHBondContact O-N 3.14Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.41Å; L137-I163 HydrophobicContact CD2-CD1 3.97Å; L137-I163 HydrophobicContact CG-CD1 4.48Å |
| 138 | L | 96.8 | Very high | 95 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | -176.3 | -58 | 175.6 | 0 | 0 | 0 | 112.1 | L131 K140 L141 C142 L160 I163 L171 P179 M183 | L131-L138 HydrophobicContact CD1-CD2 4.4Å; L131-L138 HydrophobicContact CD1-CG 4.35Å; L131-L138 HydrophobicContact CD2-CD1 4.25Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; L138-L141 PolarHBondContact O-N 2.81Å; L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.8Å; L138-L160 HydrophobicContact CD2-CD2 4.3Å; L138-I163 HydrophobicContact CD2-CD1 4.46Å; L138-I163 HydrophobicContact CD2-CG2 4.12Å; L138-L171 HydrophobicContact CD1-CD2 3.56Å; L138-L171 HydrophobicContact CD2-CD2 4.27Å; L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 3.87Å; L138-M183 HydrophobicContact CD1-SD 4.32Å; L138-M183 HydrophobicContact CD2-CE 4.42Å; L138-M183 HydrophobicContact CD2-SD 4.49Å |
| 139 | P | 95.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 175 | -24.8 | 35.6 | 0 | 0 | 0 | 112.4 | P135 S143 | P135-P139 WeakPolarHBondContact O-CD 3.29Å; P135-P139 WeakPolarHBondContact O-CG 3.32Å; P139-S143 WeakPolarHBondContact O-CB 3.44Å; P139-S143 PolarHBondContact O-N 2.73Å |
| 140 | K | 97.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.2 | -49.7 | 178.9 | -175.5 | 61.4 | 176.4 | 173.9 | 0 | 111.2 | L104 D136 L137 L138 C142 S143 L144 | L104-K140 HydrophobicContact CD1-CG 4.21Å; L104-K140 HydrophobicContact CD2-CB 4.46Å; L104-K140 HydrophobicContact CD2-CG 4.08Å; D136-K140 WeakPolarHBondContact O-CB 3.42Å; D136-K140 PolarHBondContact O-N 3.45Å; L137-K140 PolarHBondContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; K140-C142 VanDerWaalsContact C-N 3.32Å; K140-C142 PolarHBondContact O-N 3.08Å; K140-S143 PolarHBondContact O-N 2.85Å; K140-S143 VanDerWaalsContact O-N 3.1Å; K140-S143 PolarHBondContact O-OG 3.32Å; K140-L144 HydrophobicContact CD-CG 4.49Å; K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 VanDerWaalsContact O-CG 3.32Å; K140-L144 WeakPolarHBondContact O-CG 3.42Å; K140-L144 PolarHBondContact O-N 3.03Å |
| 141 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 177.6 | -69.4 | 178.8 | 0 | 0 | 0 | 111.5 | L104 I107 L137 L138 S143 L144 L145 A156 A159 L160 I163 | L104-L141 HydrophobicContact CD2-CD2 4.13Å; I107-L141 HydrophobicContact CD1-CD2 3.33Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.41Å; L138-L141 PolarHBondContact O-N 2.81Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.87Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-L144 VanDerWaalsContact O-N 3.1Å; L141-L145 PolarHBondContact O-N 3.01Å; L141-A156 HydrophobicContact CD2-CB 4.37Å; L141-A159 HydrophobicContact CD1-CB 4.22Å; L141-A159 HydrophobicContact CD2-CB 4.34Å; L141-L160 HydrophobicContact CB-CD1 4.1Å; L141-L160 HydrophobicContact CB-CD2 3.8Å; L141-L160 HydrophobicContact CB-CG 3.91Å; L141-L160 HydrophobicContact CD1-CD2 3.77Å; L141-L160 HydrophobicContact CD1-CG 4.03Å; L141-L160 HydrophobicContact CG-CD2 4.46Å; L141-I163 HydrophobicContact CD1-CD1 3.73Å |
| 142 | C | 97.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 11% | 0.108 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | L138 K140 L144 L145 | L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.8Å; K140-C142 VanDerWaalsContact C-N 3.32Å; K140-C142 PolarHBondContact O-N 3.08Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 PolarHBondContact O-N 3.38Å; C142-L145 WeakPolarHBondContact O-CB 3.33Å; C142-L145 PolarHBondContact O-N 3.44Å |
| 143 | S | 97.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -30.7 | 175.8 | 77 | 0 | 0 | 0 | 0 | 113.1 | P139 K140 L141 L145 D146 | P139-S143 WeakPolarHBondContact O-CB 3.44Å; P139-S143 PolarHBondContact O-N 2.73Å; K140-S143 PolarHBondContact O-N 2.85Å; K140-S143 VanDerWaalsContact O-N 3.1Å; K140-S143 PolarHBondContact O-OG 3.32Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.87Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.09Å; S143-D146 PolarHBondContact O-N 3.36Å |
| 144 | L | 97.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.5 | -20.8 | 178.9 | -68.7 | 175.4 | 0 | 0 | 0 | 112.5 | I107 K140 L141 C142 D146 S147 T152 A156 | I107-L144 HydrophobicContact CG2-CD1 3.64Å; K140-L144 HydrophobicContact CD-CG 4.49Å; K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 VanDerWaalsContact O-CG 3.32Å; K140-L144 WeakPolarHBondContact O-CG 3.42Å; K140-L144 PolarHBondContact O-N 3.03Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-L144 VanDerWaalsContact O-N 3.1Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 PolarHBondContact O-N 3.38Å; L144-D146 PolarHBondContact O-N 3.4Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.11Å; L144-T152 HydrophobicContact CB-CG2 3.99Å; L144-T152 HydrophobicContact CD2-CG2 3.82Å; L144-T152 HydrophobicContact CG-CG2 4.37Å; L144-A156 HydrophobicContact CB-CB 3.9Å |
| 145 | L | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.5 | 172 | -57.6 | -174.6 | 0 | 0 | 0 | 112.5 | L141 C142 S143 S147 C153 A156 F157 L160 K186 F187 F190 | L141-L145 PolarHBondContact O-N 3.01Å; C142-L145 WeakPolarHBondContact O-CB 3.33Å; C142-L145 PolarHBondContact O-N 3.44Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.09Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.05Å; L145-C153 PolarHBondContact O-SG 2.92Å; L145-C153 VanDerWaalsContact O-SG 3.35Å; L145-A156 HydrophobicContact CD2-CB 3.71Å; L145-F157 HydrophobicContact CD1-CE1 4.25Å; L145-F157 HydrophobicContact CD1-CE2 4.21Å; L145-F157 HydrophobicContact CD1-CZ 3.92Å; L145-F157 HydrophobicContact CD2-CD1 4.36Å; L145-F157 HydrophobicContact CD2-CD2 3.53Å; L145-F157 HydrophobicContact CD2-CE1 4.47Å; L145-F157 HydrophobicContact CD2-CE2 3.66Å; L145-F157 HydrophobicContact CD2-CG 3.89Å; L145-F157 HydrophobicContact CD2-CZ 4.14Å; L145-F157 HydrophobicContact CG-CE2 4.38Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.01Å; L145-L160 HydrophobicContact CG-CD1 4.13Å; L145-K186 HydrophobicContact CD1-CG 4.24Å; L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.09Å; L145-F190 HydrophobicContact CB-CE1 4.43Å; L145-F190 HydrophobicContact CB-CE2 3.96Å; L145-F190 HydrophobicContact CB-CZ 3.66Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CE1 3.46Å; L145-F190 VanDerWaalsContact O-CZ 3.27Å; L145-F190 WeakPolarHBondContact O-CZ 3.22Å |
| 146 | D | 96 | Very high | 96.9 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1 | 177.1 | -68.4 | -45.6 | 0 | 0 | 0 | 113.8 | S143 L144 K186 | S143-D146 PolarHBondContact O-N 3.36Å; L144-D146 PolarHBondContact O-N 3.4Å; D146-K186 IonicContact OD1-NZ 3.82Å; D146-K186 PolarHBondContact OD1-NZ 2.94Å; D146-K186 IonicContact OD2-NZ 3.7Å; D146-K186 PolarHBondContact OD2-NZ 3.02Å |
| 147 | S | 95.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | trans | -65.7 | 136.4 | 177.6 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | L144 L145 D149 | L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.11Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.05Å; S147-D149 PolarHBondContact O-N 2.94Å; S147-D149 PolarHBondContact OG-N 2.96Å | ||
| 148 | E | 94 | Very high | 97.1 | Very high | 206 Ų | 206 | 42.2 Ų | 42.2 | 96% | 0.963 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -69.1 | -17.8 | 170 | -63.9 | -176.3 | 172.5 | 0 | 0 | 112.2 | Y150 | E148-Y150 PolarHBondContact O-N 3.29Š|
| 149 | D | 96.4 | Very high | 97.1 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -79 | 115.4 | 173.7 | 171.3 | 45.3 | 0 | 0 | 0 | 111 | S147 N151 T152 C153 | S147-D149 PolarHBondContact O-N 2.94Å; S147-D149 PolarHBondContact OG-N 2.96Å; D149-N151 VanDerWaalsContact C-N 3.26Å; D149-N151 PolarHBondContact O-N 3.12Å; D149-N151 PolarHBondContact OD1-N 2.74Å; D149-N151 PolarHBondContact OD1-ND2 3.01Å; D149-T152 PolarHBondContact O-N 3.19Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-N 2.88Å; D149-T152 PolarHBondContact OD2-OG1 3Å; D149-C153 PolarHBondContact O-N 2.62Å; D149-C153 VanDerWaalsContact O-N 3.1Å | ||
| 150 | Y | 96.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 37% | 0.365 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -52.5 | -42.1 | 176.9 | 169.7 | -104.9 | 0 | 0 | 0 | 112.7 | E148 T152 C153 E154 S195 I198 | E148-Y150 PolarHBondContact O-N 3.29Å; Y150-T152 PolarHBondContact O-N 3.43Å; Y150-C153 PolarHBondContact O-N 3.35Å; Y150-E154 HydrophobicContact CE1-CB 4.48Å; Y150-E154 HydrophobicContact CE2-CB 4.17Å; Y150-E154 VanDerWaalsContact O-CB 3.28Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 3.46Å; Y150-S195 WeakPolarHBondContact CE2-OG 3.49Å; Y150-I198 HydrophobicContact CD2-CD1 3.66Å; Y150-I198 HydrophobicContact CE2-CD1 3.69Å; Y150-I198 HydrophobicContact CE2-CG1 4.14Å |
| 151 | N | 97.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 22% | 0.219 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | -175.9 | -62.1 | -54 | 0 | 0 | 0 | 111.2 | R115 D149 G155 | R115-N151 VanDerWaalsContact CD-O 3.27Å; R115-N151 WeakPolarHBondContact CD-O 3.3Å; R115-N151 PolarHBondContact NH1-OD1 3.3Å; R115-N151 VanDerWaalsContact NH1-OD1 3.16Å; D149-N151 VanDerWaalsContact C-N 3.26Å; D149-N151 PolarHBondContact O-N 3.12Å; D149-N151 PolarHBondContact OD1-N 2.74Å; D149-N151 PolarHBondContact OD1-ND2 3.01Å; N151-G155 PolarHBondContact O-N 3.35Å |
| 152 | T | 97.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | L144 D149 Y150 A156 | L144-T152 HydrophobicContact CB-CG2 3.99Å; L144-T152 HydrophobicContact CD2-CG2 3.82Å; L144-T152 HydrophobicContact CG-CG2 4.37Å; D149-T152 PolarHBondContact O-N 3.19Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-N 2.88Å; D149-T152 PolarHBondContact OD2-OG1 3Å; Y150-T152 PolarHBondContact O-N 3.43Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.62Å |
| 153 | C | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | L145 D149 Y150 A156 F157 I198 | L145-C153 PolarHBondContact O-SG 2.92Å; L145-C153 VanDerWaalsContact O-SG 3.35Å; D149-C153 PolarHBondContact O-N 2.62Å; D149-C153 VanDerWaalsContact O-N 3.1Å; Y150-C153 PolarHBondContact O-N 3.35Å; C153-A156 PolarHBondContact O-N 3.36Å; C153-F157 PolarHBondContact O-N 3.03Å; C153-I198 HydrophobicContact CB-CD1 4.17Å |
| 154 | E | 97.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 179.3 | -173.7 | -93.8 | 166.6 | 0 | 0 | 112.6 | R115 Y150 A156 F157 G158 K197 H201 | R115-E154 IonicContact CZ-OE2 3.22Å; R115-E154 VanDerWaalsContact CZ-OE2 3.22Å; R115-E154 IonicContact NE-OE2 2.74Å; R115-E154 PolarHBondContact NE-OE2 2.85Å; R115-E154 IonicContact NH2-OE2 2.81Å; R115-E154 PolarHBondContact NH2-OE2 2.86Å; Y150-E154 HydrophobicContact CE1-CB 4.48Å; Y150-E154 HydrophobicContact CE2-CB 4.17Å; Y150-E154 VanDerWaalsContact O-CB 3.28Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 3.46Å; E154-A156 PolarHBondContact O-N 3.25Å; E154-F157 PolarHBondContact O-N 3.16Å; E154-G158 PolarHBondContact O-N 3.35Å; E154-K197 HydrophobicContact CG-CD 4.02Å; E154-K197 WeakPolarHBondContact OE1-CE 3.39Å; E154-K197 IonicContact OE1-NZ 3.42Å; E154-K197 PolarHBondContact OE1-NZ 2.85Å; E154-H201 IonicContact OE1-NE2 3.94Å |
| 155 | G | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | N151 G158 A159 | N151-G155 PolarHBondContact O-N 3.35Å; G155-G158 PolarHBondContact O-N 3.39Å; G155-A159 PolarHBondContact O-N 3.47Å; G155-A159 VanDerWaalsContact O-N 3.09Å |
| 156 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I107 L141 L144 L145 T152 C153 E154 A159 L160 | I107-A156 HydrophobicContact CD1-CB 4.36Å; L141-A156 HydrophobicContact CD2-CB 4.37Å; L144-A156 HydrophobicContact CB-CB 3.9Å; L145-A156 HydrophobicContact CD2-CB 3.71Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.62Å; C153-A156 PolarHBondContact O-N 3.36Å; E154-A156 PolarHBondContact O-N 3.25Å; A156-A159 PolarHBondContact O-N 2.89Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å |
| 157 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 172.2 | -97.6 | -61 | 0 | 0 | 0 | 112.6 | L145 C153 E154 A159 L160 Q161 F187 F190 I198 H201 A202 | L145-F157 HydrophobicContact CD1-CE1 4.25Å; L145-F157 HydrophobicContact CD1-CE2 4.21Å; L145-F157 HydrophobicContact CD1-CZ 3.92Å; L145-F157 HydrophobicContact CD2-CD1 4.36Å; L145-F157 HydrophobicContact CD2-CD2 3.53Å; L145-F157 HydrophobicContact CD2-CE1 4.47Å; L145-F157 HydrophobicContact CD2-CE2 3.66Å; L145-F157 HydrophobicContact CD2-CG 3.89Å; L145-F157 HydrophobicContact CD2-CZ 4.14Å; L145-F157 HydrophobicContact CG-CE2 4.38Å; C153-F157 PolarHBondContact O-N 3.03Å; E154-F157 PolarHBondContact O-N 3.16Å; F157-A159 VanDerWaalsContact C-N 3.26Å; F157-A159 PolarHBondContact O-N 3.39Å; F157-L160 PolarHBondContact O-N 3.14Å; F157-Q161 WeakPolarHBondContact O-CB 3.33Å; F157-Q161 PolarHBondContact O-N 3.33Å; F157-F187 AromaticContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CE1 4.32Å; F157-F187 HydrophobicContact CZ-CD1 4.44Å; F157-F190 HydrophobicContact CE2-CB 4.02Å; F157-F190 AromaticContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD2 4.05Å; F157-F190 HydrophobicContact CE2-CE1 4.11Å; F157-F190 HydrophobicContact CE2-CE2 4.48Å; F157-F190 AromaticContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CZ-CB 3.68Å; F157-F190 HydrophobicContact CZ-CD1 4.08Å; F157-F190 AromaticContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CE2 4.36Å; F157-F190 AromaticContact CZ-CG 3.54Å; F157-F190 HydrophobicContact CZ-CG 3.54Å; F157-I198 HydrophobicContact CD2-CG1 4.45Å; F157-I198 HydrophobicContact CD2-CG2 3.89Å; F157-I198 HydrophobicContact CE2-CG2 3.63Å; F157-I198 HydrophobicContact CZ-CG2 4.49Å; F157-H201 HydrophobicContact CB-CB 3.7Å; F157-H201 HydrophobicContact CD1-CB 3.81Å; F157-H201 HydrophobicContact CG-CB 3.84Å; F157-A202 HydrophobicContact CE1-CB 3.94Å; F157-A202 HydrophobicContact CZ-CB 4.03Å |
| 158 | G | 96.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -29.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | E154 G155 K162 | E154-G158 PolarHBondContact O-N 3.35Å; G155-G158 PolarHBondContact O-N 3.39Å; G158-K162 PolarHBondContact O-NZ 3.04Å |
| 159 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78.1 | -45.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I107 I122 L141 G155 A156 F157 Q161 K162 I163 | I107-A159 HydrophobicContact CD1-CB 4Å; I122-A159 HydrophobicContact CG2-CB 4.35Å; L141-A159 HydrophobicContact CD1-CB 4.22Å; L141-A159 HydrophobicContact CD2-CB 4.34Å; G155-A159 PolarHBondContact O-N 3.47Å; G155-A159 VanDerWaalsContact O-N 3.09Å; A156-A159 PolarHBondContact O-N 2.89Å; F157-A159 VanDerWaalsContact C-N 3.26Å; F157-A159 PolarHBondContact O-N 3.39Å; A159-Q161 PolarHBondContact O-N 2.99Å; A159-K162 PolarHBondContact O-N 3.08Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.14Å |
| 160 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | -179.7 | -75 | 170.3 | 0 | 0 | 0 | 112.8 | L138 L141 L145 A156 F157 K162 I163 C164 M183 F187 | L138-L160 HydrophobicContact CD2-CD2 4.3Å; L141-L160 HydrophobicContact CB-CD1 4.1Å; L141-L160 HydrophobicContact CB-CD2 3.8Å; L141-L160 HydrophobicContact CB-CG 3.91Å; L141-L160 HydrophobicContact CD1-CD2 3.77Å; L141-L160 HydrophobicContact CD1-CG 4.03Å; L141-L160 HydrophobicContact CG-CD2 4.46Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.01Å; L145-L160 HydrophobicContact CG-CD1 4.13Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å; F157-L160 PolarHBondContact O-N 3.14Å; L160-K162 PolarHBondContact O-N 2.76Å; L160-I163 PolarHBondContact O-N 2.92Å; L160-C164 WeakPolarHBondContact O-CB 3.04Å; L160-C164 PolarHBondContact O-N 3.48Å; L160-C164 PolarHBondContact O-SG 2.67Å; L160-M183 HydrophobicContact CD2-CE 4.06Å; L160-F187 HydrophobicContact CD1-CE1 3.99Å; L160-F187 HydrophobicContact CD1-CZ 4.37Å |
| 161 | Q | 97.2 | Very high | 95.9 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 177.4 | -178.1 | -174.4 | -4.8 | 0 | 0 | 111.2 | F157 A159 I163 C164 E165 H201 A204 C205 | F157-Q161 WeakPolarHBondContact O-CB 3.33Å; F157-Q161 PolarHBondContact O-N 3.33Å; A159-Q161 PolarHBondContact O-N 2.99Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.22Å; Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.44Å; Q161-C164 VanDerWaalsContact O-N 3.15Å; Q161-E165 PolarHBondContact O-N 2.88Å; Q161-H201 PolarHBondContact OE1-CE1 3.05Å; Q161-H201 PolarHBondContact OE1-ND1 2.81Å; Q161-A204 HydrophobicContact CG-CB 4.17Å; Q161-C205 WeakPolarHBondContact CA-SG 3.25Å |
| 162 | K | 96.3 | Very high | 95.5 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 27% | 0.265 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63 | -38.7 | 178 | -68.5 | -177 | -168.1 | 75.6 | 0 | 112.1 | I120 T123 G158 A159 L160 C164 E165 D166 | I120-K162 HydrophobicContact CG1-CD 4.48Å; T123-K162 HydrophobicContact CG2-CB 3.35Å; T123-K162 HydrophobicContact CG2-CD 4.09Å; T123-K162 HydrophobicContact CG2-CG 4.34Å; G158-K162 PolarHBondContact O-NZ 3.04Å; A159-K162 PolarHBondContact O-N 3.08Å; L160-K162 PolarHBondContact O-N 2.76Å; K162-C164 VanDerWaalsContact C-N 3.34Å; K162-E165 PolarHBondContact O-N 3.48Å; K162-D166 WeakPolarHBondContact O-CB 3.49Å; K162-D166 PolarHBondContact O-N 2.9Å |
| 163 | I | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 174.5 | -65.9 | 166.9 | 0 | 0 | 0 | 110.9 | I122 T123 L131 L137 L138 L141 A159 L160 Q161 E165 S167 L171 | I122-I163 HydrophobicContact CG2-CD1 4.29Å; T123-I163 HydrophobicContact CG2-CG1 3.75Å; L131-I163 HydrophobicContact CD2-CG2 4.1Å; L137-I163 HydrophobicContact CD2-CD1 3.97Å; L137-I163 HydrophobicContact CG-CD1 4.48Å; L138-I163 HydrophobicContact CD2-CD1 4.46Å; L138-I163 HydrophobicContact CD2-CG2 4.12Å; L141-I163 HydrophobicContact CD1-CD1 3.73Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.14Å; L160-I163 PolarHBondContact O-N 2.92Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.22Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.88Å; I163-S167 WeakPolarHBondContact O-CA 3.46Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.5Å; I163-S167 PolarHBondContact O-N 3.42Å; I163-L171 HydrophobicContact CG2-CD1 4.31Å |
| 164 | C | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | L160 Q161 K162 A168 Q208 F209 | L160-C164 WeakPolarHBondContact O-CB 3.04Å; L160-C164 PolarHBondContact O-N 3.48Å; L160-C164 PolarHBondContact O-SG 2.67Å; Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.44Å; Q161-C164 VanDerWaalsContact O-N 3.15Å; K162-C164 VanDerWaalsContact C-N 3.34Å; C164-A168 WeakPolarHBondContact O-CA 3.38Å; C164-A168 WeakPolarHBondContact O-CB 3.32Å; C164-A168 PolarHBondContact O-N 3.49Å; C164-Q208 HydrophobicContact CB-CB 4.21Å; C164-Q208 HydrophobicContact CB-CG 3.9Å; C164-F209 HydrophobicContact CB-CE2 3.86Å; C164-F209 HydrophobicContact CB-CZ 3.68Å |
| 165 | E | 94.7 | Very high | 94.4 | Very high | 111 Ų | 111 | 42 Ų | 42 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.6 | -52.1 | 176.8 | -174.2 | 175.6 | -176.4 | 0 | 0 | 112 | Q161 K162 I163 S167 Q208 | Q161-E165 PolarHBondContact O-N 2.88Å; K162-E165 PolarHBondContact O-N 3.48Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.88Å; E165-S167 PolarHBondContact O-N 3.22Å; E165-Q208 HydrophobicContact CB-CG 4.46Å |
| 166 | D | 91.9 | Very high | 94 | Very high | 100 Ų | 100 | 43.5 Ų | 43.5 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -77.2 | -16.7 | -174.7 | -69.5 | -23.2 | 0 | 0 | 0 | 114.1 | K162 | K162-D166 WeakPolarHBondContact O-CB 3.49Å; K162-D166 PolarHBondContact O-N 2.9Å |
| 167 | S | 92.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | 31 | -167.8 | -61.4 | 0 | 0 | 0 | 0 | 113 | I163 E165 E169 I170 L171 | I163-S167 WeakPolarHBondContact O-CA 3.46Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.5Å; I163-S167 PolarHBondContact O-N 3.42Å; E165-S167 PolarHBondContact O-N 3.22Å; S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact O-N 3Å; S167-I170 WeakPolarHBondContact O-CG2 3.08Å; S167-I170 PolarHBondContact O-N 2.94Å; S167-L171 VanDerWaalsContact O-CG 3.27Å; S167-L171 WeakPolarHBondContact O-CG 3.36Å; S167-L171 PolarHBondContact O-N 3.46Å |
| 168 | A | 92 | Very high | 93.4 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 21% | 0.207 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.5 | -44.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C164 L171 F209 | C164-A168 WeakPolarHBondContact O-CA 3.38Å; C164-A168 WeakPolarHBondContact O-CB 3.32Å; C164-A168 PolarHBondContact O-N 3.49Å; A168-L171 PolarHBondContact O-N 2.78Å; A168-F209 HydrophobicContact CB-CD1 4.36Å; A168-F209 HydrophobicContact CB-CE1 3.99Å |
| 169 | E | 90.8 | Very high | 93.4 | Very high | 177 Ų | 177 | 54.6 Ų | 54.6 | 83% | 0.827 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -48.5 | -176 | -172.7 | -177.1 | 179.2 | 0 | 0 | 112.6 | S167 L171 D172 S173 | S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact O-N 3Å; E169-L171 VanDerWaalsContact C-N 3.25Å; E169-L171 PolarHBondContact O-N 3.22Å; E169-D172 PolarHBondContact O-N 2.74Å; E169-S173 PolarHBondContact O-N 3.24Å |
| 170 | I | 92.2 | Very high | 93.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.1 | -27.1 | -178.3 | -164.4 | 171.6 | 0 | 0 | 0 | 111.9 | L131 S167 D172 S173 L176 | L131-I170 HydrophobicContact CD2-CG2 4.11Å; S167-I170 WeakPolarHBondContact O-CG2 3.08Å; S167-I170 PolarHBondContact O-N 2.94Å; I170-D172 VanDerWaalsContact C-N 3.32Å; I170-D172 PolarHBondContact O-N 3.46Å; I170-S173 WeakPolarHBondContact O-CB 3.44Å; I170-S173 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-OG 3Å; I170-L176 HydrophobicContact CD1-CD1 4.35Å; I170-L176 HydrophobicContact CG1-CD1 3.87Å; I170-L176 HydrophobicContact CG1-CG 4.15Å; I170-L176 HydrophobicContact CG2-CD1 4.26Å |
| 171 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -27.8 | 176.4 | -69.7 | 170.8 | 0 | 0 | 0 | 113.1 | L131 L138 I163 S167 A168 E169 L176 P179 L180 M183 F209 | L131-L171 HydrophobicContact CD2-CD2 3.8Å; L131-L171 HydrophobicContact CD2-CG 4.4Å; L138-L171 HydrophobicContact CD1-CD2 3.56Å; L138-L171 HydrophobicContact CD2-CD2 4.27Å; I163-L171 HydrophobicContact CG2-CD1 4.31Å; S167-L171 VanDerWaalsContact O-CG 3.27Å; S167-L171 WeakPolarHBondContact O-CG 3.36Å; S167-L171 PolarHBondContact O-N 3.46Å; A168-L171 PolarHBondContact O-N 2.78Å; E169-L171 VanDerWaalsContact C-N 3.25Å; E169-L171 PolarHBondContact O-N 3.22Å; L171-L176 HydrophobicContact CD2-CD1 4.46Å; L171-P179 HydrophobicContact CB-CG 4.49Å; L171-P179 HydrophobicContact CD2-CG 3.89Å; L171-P179 WeakPolarHBondContact O-CD 3.4Å; L171-P179 WeakPolarHBondContact O-CG 3.46Å; L171-L180 HydrophobicContact CB-CD1 4.22Å; L171-L180 HydrophobicContact CB-CD2 3.96Å; L171-L180 HydrophobicContact CB-CG 3.95Å; L171-L180 HydrophobicContact CD1-CD2 4.5Å; L171-L180 WeakPolarHBondContact O-CG 3.37Å; L171-M183 HydrophobicContact CD2-SD 4.34Å; L171-F209 HydrophobicContact CB-CE1 4.35Å; L171-F209 HydrophobicContact CD1-CE1 4.15Å; L171-F209 HydrophobicContact CD1-CZ 3.77Å |
| 172 | D | 91.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -90.3 | -3.6 | 173.7 | -158.5 | 30.2 | 0 | 0 | 0 | 113 | E169 I170 L180 T214 | E169-D172 PolarHBondContact O-N 2.74Å; I170-D172 VanDerWaalsContact C-N 3.32Å; I170-D172 PolarHBondContact O-N 3.46Å; D172-L180 HydrophobicContact CB-CD1 3.79Å; D172-T214 HydrophobicContact CB-CG2 3.96Å; D172-T214 WeakPolarHBondContact OD2-CA 3.21Å; D172-T214 WeakPolarHBondContact OD2-CB 3.4Å |
| 173 | S | 90.7 | Very high | 93.3 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78.7 | 154.5 | -176.6 | 81.2 | 0 | 0 | 0 | 0 | 113.5 | E169 I170 V175 R178 | E169-S173 PolarHBondContact O-N 3.24Å; I170-S173 WeakPolarHBondContact O-CB 3.44Å; I170-S173 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-OG 3Å; S173-V175 PolarHBondContact O-N 3.43Å; S173-V175 PolarHBondContact OG-N 3.02Å; S173-R178 PolarHBondContact O-N 3.4Å |
| 174 | D | 89.5 | Confident | 93.4 | Very high | 114 Ų | 114 | 59.2 Ų | 59.2 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -67.3 | -18.6 | 171.9 | -66.3 | -37.6 | 0 | 0 | 0 | 112.5 | L176 D177 R178 | D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.81Å; D174-D177 PolarHBondContact O-N 2.98Å; D174-D177 VanDerWaalsContact O-N 3.08Å; D174-R178 IonicContact OD1-CZ 2.62Å; D174-R178 IonicContact OD1-NE 3.88Å; D174-R178 PolarHBondContact OD1-NE 2.95Å; D174-R178 IonicContact OD1-NH2 2.92Å; D174-R178 PolarHBondContact OD1-NH2 3.32Å; D174-R178 IonicContact OD2-NH2 3.77Å; D174-R178 PolarHBondContact OD2-NH2 3.09Å |
| 175 | V | 89 | Confident | 93.4 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -62.4 | -35.9 | -178.1 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | Q132 S173 | Q132-V175 HydrophobicContact CB-CG1 4.35Å; S173-V175 PolarHBondContact O-N 3.43Å; S173-V175 PolarHBondContact OG-N 3.02Å |
| 176 | L | 89.1 | Confident | 93.6 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -97.6 | 11 | 176.8 | -67.5 | -179.1 | 0 | 0 | 0 | 113.5 | L131 Q132 I170 L171 D174 R178 P179 | L131-L176 HydrophobicContact CB-CD1 4.35Å; L131-L176 HydrophobicContact CD2-CD1 3.64Å; L131-L176 HydrophobicContact CG-CD1 3.84Å; Q132-L176 HydrophobicContact CB-CD2 3.82Å; I170-L176 HydrophobicContact CD1-CD1 4.35Å; I170-L176 HydrophobicContact CG1-CD1 3.87Å; I170-L176 HydrophobicContact CG1-CG 4.15Å; I170-L176 HydrophobicContact CG2-CD1 4.26Å; L171-L176 HydrophobicContact CD2-CD1 4.46Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.81Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 2.91Å; L176-P179 HydrophobicContact CB-CG 3.99Å; L176-P179 HydrophobicContact CD1-CG 4.48Å; L176-P179 WeakPolarHBondContact O-CD 3.2Å |
| 177 | D | 91.5 | Very high | 93.9 | Very high | 147 Ų | 147 | 52.3 Ų | 52.3 | 79% | 0.786 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 39 | -173.2 | -162.3 | 34.9 | 0 | 0 | 0 | 112.9 | D174 | D174-D177 PolarHBondContact O-N 2.98Å; D174-D177 VanDerWaalsContact O-N 3.08Å |
| 178 | R | 92.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 30% | 0.302 | 27% | 0.274 | S | S | . | . | trans | 47.7 | 61.7 | 176.2 | -60.7 | -176.2 | -179.6 | -97.9 | -6.6 | 114.1 | S173 D174 L176 L180 N181 | S173-R178 PolarHBondContact O-N 3.4Å; D174-R178 IonicContact OD1-CZ 2.62Å; D174-R178 IonicContact OD1-NE 3.88Å; D174-R178 PolarHBondContact OD1-NE 2.95Å; D174-R178 IonicContact OD1-NH2 2.92Å; D174-R178 PolarHBondContact OD1-NH2 3.32Å; D174-R178 IonicContact OD2-NH2 3.77Å; D174-R178 PolarHBondContact OD2-NH2 3.09Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 2.91Å; R178-L180 PolarHBondContact O-N 3.44Å; R178-N181 WeakPolarHBondContact CB-ND2 3.12Å; R178-N181 WeakPolarHBondContact O-CB 3.47Å; R178-N181 PolarHBondContact O-N 2.93Å; R178-N181 PolarHBondContact O-ND2 3.45Å | ||
| 179 | P | 95.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.8 | -176.3 | 25.6 | -37.4 | 0 | 0 | 0 | 113.7 | L138 L171 L176 N181 I182 M183 | L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 3.87Å; L171-P179 HydrophobicContact CB-CG 4.49Å; L171-P179 HydrophobicContact CD2-CG 3.89Å; L171-P179 WeakPolarHBondContact O-CD 3.4Å; L171-P179 WeakPolarHBondContact O-CG 3.46Å; L176-P179 HydrophobicContact CB-CG 3.99Å; L176-P179 HydrophobicContact CD1-CG 4.48Å; L176-P179 WeakPolarHBondContact O-CD 3.2Å; P179-N181 PolarHBondContact O-N 2.83Å; P179-I182 PolarHBondContact O-N 3.43Å; P179-M183 HydrophobicContact CB-SD 3.85Å; P179-M183 HydrophobicContact CG-SD 4.46Å; P179-M183 WeakPolarHBondContact O-CG 3.31Å; P179-M183 PolarHBondContact O-N 3.08Å |
| 180 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -28.3 | 175.5 | -64.8 | -179 | 0 | 0 | 0 | 113.9 | L171 D172 R178 I182 M183 I184 F209 T214 A216 | L171-L180 HydrophobicContact CB-CD1 4.22Å; L171-L180 HydrophobicContact CB-CD2 3.96Å; L171-L180 HydrophobicContact CB-CG 3.95Å; L171-L180 HydrophobicContact CD1-CD2 4.5Å; L171-L180 WeakPolarHBondContact O-CG 3.37Å; D172-L180 HydrophobicContact CB-CD1 3.79Å; R178-L180 PolarHBondContact O-N 3.44Å; L180-I182 PolarHBondContact O-N 3.04Å; L180-I182 VanDerWaalsContact O-N 3.15Å; L180-M183 HydrophobicContact CD2-SD 4.5Å; L180-M183 PolarHBondContact O-N 3.41Å; L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.31Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 PolarHBondContact O-N 3.25Å; L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.71Å; L180-F209 HydrophobicContact CD1-CG 4.24Å; L180-F209 HydrophobicContact CD1-CZ 4.29Å; L180-F209 HydrophobicContact CD2-CD1 4.29Å; L180-F209 HydrophobicContact CD2-CD2 4.23Å; L180-F209 HydrophobicContact CD2-CE1 3.74Å; L180-F209 HydrophobicContact CD2-CE2 3.69Å; L180-F209 HydrophobicContact CD2-CZ 3.43Å; L180-F209 VanDerWaalsContact CD2-CZ 3.43Å; L180-F209 HydrophobicContact CG-CE1 4.35Å; L180-F209 HydrophobicContact CG-CZ 4.49Å; L180-T214 HydrophobicContact CD1-CG2 3.95Å; L180-A216 HydrophobicContact CB-CB 3.64Å |
| 181 | N | 96.5 | Very high | 95 | Very high | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -24.8 | 175.2 | -71.6 | -30 | 0 | 0 | 0 | 112.9 | R178 P179 P185 A216 | R178-N181 WeakPolarHBondContact CB-ND2 3.12Å; R178-N181 WeakPolarHBondContact O-CB 3.47Å; R178-N181 PolarHBondContact O-N 2.93Å; R178-N181 PolarHBondContact O-ND2 3.45Å; P179-N181 PolarHBondContact O-N 2.83Å; N181-P185 WeakPolarHBondContact O-CG 3.37Å; N181-A216 WeakPolarHBondContact OD1-CB 3.39Å |
| 182 | I | 96.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 65% | 0.646 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -101.1 | -42.3 | 176.8 | -59.7 | 171.9 | 0 | 0 | 0 | 110.1 | P179 L180 K186 | P179-I182 PolarHBondContact O-N 3.43Å; L180-I182 PolarHBondContact O-N 3.04Å; L180-I182 VanDerWaalsContact O-N 3.15Å; I182-K186 WeakPolarHBondContact O-CB 3.34Å; I182-K186 PolarHBondContact O-N 2.72Å |
| 183 | M | 97.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -45.3 | -173.6 | -66.6 | 169.7 | 64.1 | 0 | 0 | 112.7 | L138 L160 L171 P179 L180 K186 F187 | L138-M183 HydrophobicContact CD1-SD 4.32Å; L138-M183 HydrophobicContact CD2-CE 4.42Å; L138-M183 HydrophobicContact CD2-SD 4.49Å; L160-M183 HydrophobicContact CD2-CE 4.06Å; L171-M183 HydrophobicContact CD2-SD 4.34Å; P179-M183 HydrophobicContact CB-SD 3.85Å; P179-M183 HydrophobicContact CG-SD 4.46Å; P179-M183 WeakPolarHBondContact O-CG 3.31Å; P179-M183 PolarHBondContact O-N 3.08Å; L180-M183 HydrophobicContact CD2-SD 4.5Å; L180-M183 PolarHBondContact O-N 3.41Å; M183-K186 CarbonylContact O-C 3.58Å; M183-K186 WeakPolarHBondContact O-CB 3.4Å; M183-K186 PolarHBondContact O-N 3.43Å; M183-K186 VanDerWaalsContact O-N 3.16Å; M183-F187 HydrophobicContact CB-CD2 4.49Å; M183-F187 HydrophobicContact CB-CE1 4.39Å; M183-F187 HydrophobicContact CB-CE2 3.86Å; M183-F187 HydrophobicContact CB-CZ 3.82Å; M183-F187 HydrophobicContact CE-CE2 4.03Å; M183-F187 HydrophobicContact CE-CZ 3.58Å; M183-F187 HydrophobicContact CG-CZ 4.37Å; M183-F187 WeakPolarHBondContact O-CD1 3.28Å; M183-F187 WeakPolarHBondContact O-CD2 3.4Å; M183-F187 WeakPolarHBondContact O-CG 3.21Å; M183-F187 PolarHBondContact O-N 2.92Å |
| 184 | I | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -51.7 | -176.8 | -67.7 | 179.2 | 0 | 0 | 0 | 111.6 | L180 K186 F187 L188 A216 L217 H220 | L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.31Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 PolarHBondContact O-N 3.25Å; I184-K186 PolarHBondContact O-N 3.22Å; I184-F187 PolarHBondContact O-N 3.15Å; I184-F187 VanDerWaalsContact O-N 3.17Å; I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 WeakPolarHBondContact O-CG 3.32Å; I184-L188 PolarHBondContact O-N 2.94Å; I184-A216 HydrophobicContact CD1-CB 3.79Å; I184-L217 HydrophobicContact CD1-CB 3.75Å; I184-L217 HydrophobicContact CG2-CD1 4.16Å; I184-H220 HydrophobicContact CG2-CB 4.35Å |
| 185 | P | 97.9 | Very high | 96 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -33.3 | 175.2 | -26.2 | 36 | 0 | 0 | 0 | 113.1 | N181 Q189 H220 | N181-P185 WeakPolarHBondContact O-CG 3.37Å; P185-Q189 WeakPolarHBondContact O-CG 3.12Å; P185-Q189 PolarHBondContact O-NE2 3.43Å; P185-H220 WeakPolarHBondContact CG-NE2 3.24Å |
| 186 | K | 97.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 14% | 0.135 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 176.1 | -174.1 | 63 | 162.5 | -171.8 | 0 | 111 | L145 D146 I182 M183 I184 L188 Q189 F190 | L145-K186 HydrophobicContact CD1-CG 4.24Å; D146-K186 IonicContact OD1-NZ 3.82Å; D146-K186 PolarHBondContact OD1-NZ 2.94Å; D146-K186 IonicContact OD2-NZ 3.7Å; D146-K186 PolarHBondContact OD2-NZ 3.02Å; I182-K186 WeakPolarHBondContact O-CB 3.34Å; I182-K186 PolarHBondContact O-N 2.72Å; M183-K186 CarbonylContact O-C 3.58Å; M183-K186 WeakPolarHBondContact O-CB 3.4Å; M183-K186 PolarHBondContact O-N 3.43Å; M183-K186 VanDerWaalsContact O-N 3.16Å; I184-K186 PolarHBondContact O-N 3.22Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 3.41Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.11Å; K186-Q189 VanDerWaalsContact O-N 3.09Å; K186-F190 HydrophobicContact CD-CE2 4.09Å; K186-F190 HydrophobicContact CG-CE2 4.24Å; K186-F190 VanDerWaalsContact O-CD2 3.28Å; K186-F190 WeakPolarHBondContact O-CD2 3.44Å |
| 187 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 179.1 | -60.3 | -22.6 | 0 | 0 | 0 | 112 | L145 F157 L160 M183 I184 Q189 F190 F191 C205 V206 | L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.09Å; F157-F187 AromaticContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CE1 4.32Å; F157-F187 HydrophobicContact CZ-CD1 4.44Å; L160-F187 HydrophobicContact CD1-CE1 3.99Å; L160-F187 HydrophobicContact CD1-CZ 4.37Å; M183-F187 HydrophobicContact CB-CD2 4.49Å; M183-F187 HydrophobicContact CB-CE1 4.39Å; M183-F187 HydrophobicContact CB-CE2 3.86Å; M183-F187 HydrophobicContact CB-CZ 3.82Å; M183-F187 HydrophobicContact CE-CE2 4.03Å; M183-F187 HydrophobicContact CE-CZ 3.58Å; M183-F187 HydrophobicContact CG-CZ 4.37Å; M183-F187 WeakPolarHBondContact O-CD1 3.28Å; M183-F187 WeakPolarHBondContact O-CD2 3.4Å; M183-F187 WeakPolarHBondContact O-CG 3.21Å; M183-F187 PolarHBondContact O-N 2.92Å; I184-F187 PolarHBondContact O-N 3.15Å; I184-F187 VanDerWaalsContact O-N 3.17Å; F187-Q189 PolarHBondContact O-N 3.1Å; F187-Q189 VanDerWaalsContact O-N 3.13Å; F187-F190 PolarHBondContact O-N 2.9Å; F187-F191 WeakPolarHBondContact O-CD2 3.23Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.69Å; F187-C205 HydrophobicContact CG-CB 4.29Å; F187-C205 HydrophobicContact CZ-CB 4.28Å; F187-V206 HydrophobicContact CB-CG2 3.78Å; F187-V206 HydrophobicContact CD2-CG2 4.11Å; F187-V206 HydrophobicContact CG-CG2 4.46Å |
| 188 | L | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -29.2 | 177.2 | -68.4 | 176.1 | 0 | 0 | 0 | 113.3 | I184 K186 F190 F191 H220 F224 | I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 WeakPolarHBondContact O-CG 3.32Å; I184-L188 PolarHBondContact O-N 2.94Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 3.41Å; L188-F190 VanDerWaalsContact C-N 3.25Å; L188-F190 PolarHBondContact O-N 3.32Å; L188-F191 HydrophobicContact CD2-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CE1 4.23Å; L188-F191 HydrophobicContact CD2-CE2 4.03Å; L188-F191 HydrophobicContact CD2-CZ 3.89Å; L188-F191 PolarHBondContact O-N 3.31Å; L188-H220 HydrophobicContact CD1-CB 3.95Å; L188-F224 HydrophobicContact CD2-CB 4Å; L188-F224 HydrophobicContact CD2-CD2 3.8Å; L188-F224 HydrophobicContact CD2-CG 4.37Å |
| 189 | Q | 97.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.7 | -30.1 | 175.5 | -63.9 | 167.5 | 22.7 | 0 | 0 | 112.2 | P185 K186 F187 F191 | P185-Q189 WeakPolarHBondContact O-CG 3.12Å; P185-Q189 PolarHBondContact O-NE2 3.43Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.11Å; K186-Q189 VanDerWaalsContact O-N 3.09Å; F187-Q189 PolarHBondContact O-N 3.1Å; F187-Q189 VanDerWaalsContact O-N 3.13Å; Q189-F191 VanDerWaalsContact C-N 3.35Å |
| 190 | F | 98 | Very high | 97.4 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -84.9 | -4.6 | -178 | -69.7 | -89.8 | 0 | 0 | 0 | 113.8 | L145 F157 K186 F187 L188 K192 H193 I198 A202 | L145-F190 HydrophobicContact CB-CE1 4.43Å; L145-F190 HydrophobicContact CB-CE2 3.96Å; L145-F190 HydrophobicContact CB-CZ 3.66Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CE1 3.46Å; L145-F190 VanDerWaalsContact O-CZ 3.27Å; L145-F190 WeakPolarHBondContact O-CZ 3.22Å; F157-F190 HydrophobicContact CE2-CB 4.02Å; F157-F190 AromaticContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD2 4.05Å; F157-F190 HydrophobicContact CE2-CE1 4.11Å; F157-F190 HydrophobicContact CE2-CE2 4.48Å; F157-F190 AromaticContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CZ-CB 3.68Å; F157-F190 HydrophobicContact CZ-CD1 4.08Å; F157-F190 AromaticContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CE2 4.36Å; F157-F190 AromaticContact CZ-CG 3.54Å; F157-F190 HydrophobicContact CZ-CG 3.54Å; K186-F190 HydrophobicContact CD-CE2 4.09Å; K186-F190 HydrophobicContact CG-CE2 4.24Å; K186-F190 VanDerWaalsContact O-CD2 3.28Å; K186-F190 WeakPolarHBondContact O-CD2 3.44Å; F187-F190 PolarHBondContact O-N 2.9Å; L188-F190 VanDerWaalsContact C-N 3.25Å; L188-F190 PolarHBondContact O-N 3.32Å; F190-K192 PolarHBondContact O-N 2.98Å; F190-K192 VanDerWaalsContact O-N 3.15Å; F190-H193 HydrophobicContact CB-CB 4.46Å; F190-H193 HydrophobicContact CD1-CB 4.33Å; F190-H193 AromaticContact CD1-CD2 3.89Å; F190-H193 WeakPolarHBondContact O-CB 3.25Å; F190-H193 PolarHBondContact O-N 2.85Å; F190-I198 HydrophobicContact CB-CG2 4.14Å; F190-I198 HydrophobicContact CD1-CG2 3.76Å; F190-I198 HydrophobicContact CG-CG2 4.34Å; F190-A202 HydrophobicContact CB-CB 3.79Å |
| 191 | F | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.3 | 171.5 | -77.8 | -136.4 | 0 | 0 | 0 | 111.3 | F187 L188 Q189 R199 A202 V203 V206 F224 N227 L228 L231 | F187-F191 WeakPolarHBondContact O-CD2 3.23Å; L188-F191 HydrophobicContact CD2-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CE1 4.23Å; L188-F191 HydrophobicContact CD2-CE2 4.03Å; L188-F191 HydrophobicContact CD2-CZ 3.89Å; L188-F191 PolarHBondContact O-N 3.31Å; Q189-F191 VanDerWaalsContact C-N 3.35Å; F191-R199 WeakPolarHBondContact O-CD 3.27Å; F191-A202 HydrophobicContact CD2-CB 3.82Å; F191-A202 HydrophobicContact CE2-CB 3.92Å; F191-A202 WeakPolarHBondContact CE2-O 3.31Å; F191-V203 HydrophobicContact CD1-CG2 3.94Å; F191-V203 HydrophobicContact CD2-CG2 4.42Å; F191-V203 HydrophobicContact CE1-CB 4.42Å; F191-V203 HydrophobicContact CE1-CG2 3.67Å; F191-V203 HydrophobicContact CE2-CG2 4.16Å; F191-V203 HydrophobicContact CG-CG2 4.33Å; F191-V203 HydrophobicContact CZ-CB 4.17Å; F191-V203 HydrophobicContact CZ-CG2 3.79Å; F191-V206 HydrophobicContact CE2-CG2 4.05Å; F191-V206 HydrophobicContact CZ-CB 4.31Å; F191-V206 HydrophobicContact CZ-CG2 4.08Å; F191-F224 AromaticContact CE1-CD2 3.78Å; F191-F224 HydrophobicContact CE1-CD2 3.78Å; F191-F224 AromaticContact CE1-CE2 3.73Å; F191-F224 HydrophobicContact CE1-CE2 3.73Å; F191-F224 AromaticContact CZ-CD2 3.81Å; F191-F224 HydrophobicContact CZ-CD2 3.81Å; F191-F224 AromaticContact CZ-CE2 3.67Å; F191-F224 HydrophobicContact CZ-CE2 3.67Å; F191-N227 HydrophobicContact CB-CB 4.07Å; F191-N227 HydrophobicContact CD1-CB 3.49Å; F191-N227 VanDerWaalsContact CD1-CB 3.49Å; F191-N227 HydrophobicContact CE1-CB 4.2Å; F191-N227 HydrophobicContact CG-CB 4.06Å; F191-L228 HydrophobicContact CE1-CD2 4.13Å; F191-L231 HydrophobicContact CB-CD1 3.99Å; F191-L231 HydrophobicContact CD1-CD1 3.46Å; F191-L231 VanDerWaalsContact CD1-CD1 3.46Å; F191-L231 HydrophobicContact CD1-CG 4.47Å; F191-L231 HydrophobicContact CE1-CD1 4.24Å; F191-L231 HydrophobicContact CG-CD1 3.93Å; F191-L231 VanDerWaalsContact O-CD2 3.26Å; F191-L231 WeakPolarHBondContact O-CD2 3.43Å |
| 192 | K | 96.1 | Very high | 97.6 | Very high | 159 Ų | 159 | 42.2 Ų | 42.2 | 69% | 0.691 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 12.1 | 176.5 | -60.2 | 179.6 | -174.6 | 174.3 | 0 | 113.1 | F190 N227 | F190-K192 PolarHBondContact O-N 2.98Å; F190-K192 VanDerWaalsContact O-N 3.15Å; K192-N227 VanDerWaalsContact CE-OD1 3.28Å; K192-N227 WeakPolarHBondContact CE-OD1 3.16Å |
| 193 | H | 96.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 36.2 Ų | 36.2 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | trans | -65.5 | 146.7 | -178 | -169.6 | -89.7 | 0 | 0 | 0 | 111.3 | F190 S195 I198 R199 | F190-H193 HydrophobicContact CB-CB 4.46Å; F190-H193 HydrophobicContact CD1-CB 4.33Å; F190-H193 AromaticContact CD1-CD2 3.89Å; F190-H193 WeakPolarHBondContact O-CB 3.25Å; F190-H193 PolarHBondContact O-N 2.85Å; H193-S195 VanDerWaalsContact C-N 3.33Å; H193-S195 WeakPolarHBondContact ND1-CB 3.33Å; H193-S195 PolarHBondContact ND1-N 3.18Å; H193-S195 PolarHBondContact O-N 3.37Å; H193-I198 HydrophobicContact CB-CB 4.4Å; H193-I198 HydrophobicContact CB-CG2 3.77Å; H193-I198 WeakPolarHBondContact CE1-CD1 3.26Å; H193-R199 HydrophobicContact CB-CG 4.17Å; H193-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 VanDerWaalsContact O-CG 3.27Å; H193-R199 WeakPolarHBondContact O-CG 3.4Å; H193-R199 PolarHBondContact O-NH1 3.11Å | ||
| 194 | S | 95.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 75% | 0.748 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -64.8 | -35.8 | -177.2 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | R199 | S194-R199 PolarHBondContact O-NH1 3.3Š|
| 195 | S | 97.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -78.1 | 123.1 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | Y150 H193 K197 I198 R199 | Y150-S195 WeakPolarHBondContact CE2-OG 3.49Å; H193-S195 VanDerWaalsContact C-N 3.33Å; H193-S195 WeakPolarHBondContact ND1-CB 3.33Å; H193-S195 PolarHBondContact ND1-N 3.18Å; H193-S195 PolarHBondContact O-N 3.37Å; S195-K197 VanDerWaalsContact C-N 3.3Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.46Å; S195-I198 PolarHBondContact O-N 3.17Å; S195-R199 PolarHBondContact O-N 2.93Å |
| 196 | P | 97.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 24% | 0.24 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 177.1 | 23.7 | -32.5 | 0 | 0 | 0 | 113 | I198 R199 S200 E236 V239 | P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.21Å; P196-R199 VanDerWaalsContact CA-CZ 3.49Å; P196-R199 PolarHBondContact O-N 3.18Å; P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.98Å; P196-E236 HydrophobicContact CB-CB 3.53Å; P196-E236 HydrophobicContact CB-CG 3.74Å; P196-E236 HydrophobicContact CG-CB 4.42Å; P196-E236 HydrophobicContact CG-CG 4.44Å; P196-V239 HydrophobicContact CB-CG2 4.34Å; P196-V239 VanDerWaalsContact O-CG2 3.3Å; P196-V239 WeakPolarHBondContact O-CG2 3.49Å |
| 197 | K | 96.7 | Very high | 97.8 | Very high | 90 Ų | 90 | 33.2 Ų | 33.2 | 39% | 0.391 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 178 | -167.5 | 173.8 | -171.2 | -171 | 0 | 112.2 | E154 S195 S200 H201 | E154-K197 HydrophobicContact CG-CD 4.02Å; E154-K197 WeakPolarHBondContact OE1-CE 3.39Å; E154-K197 IonicContact OE1-NZ 3.42Å; E154-K197 PolarHBondContact OE1-NZ 2.85Å; S195-K197 VanDerWaalsContact C-N 3.3Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.46Å; K197-S200 PolarHBondContact O-N 2.94Å; K197-H201 PolarHBondContact O-CD2 3.23Å; K197-H201 VanDerWaalsContact O-CD2 3.23Å; K197-H201 PolarHBondContact O-N 3.47Å |
| 198 | I | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.7 | -39.7 | 176.4 | -73.5 | 168.8 | 0 | 0 | 0 | 111.1 | Y150 C153 F157 F190 H193 S195 P196 S200 H201 A202 | Y150-I198 HydrophobicContact CD2-CD1 3.66Å; Y150-I198 HydrophobicContact CE2-CD1 3.69Å; Y150-I198 HydrophobicContact CE2-CG1 4.14Å; C153-I198 HydrophobicContact CB-CD1 4.17Å; F157-I198 HydrophobicContact CD2-CG1 4.45Å; F157-I198 HydrophobicContact CD2-CG2 3.89Å; F157-I198 HydrophobicContact CE2-CG2 3.63Å; F157-I198 HydrophobicContact CZ-CG2 4.49Å; F190-I198 HydrophobicContact CB-CG2 4.14Å; F190-I198 HydrophobicContact CD1-CG2 3.76Å; F190-I198 HydrophobicContact CG-CG2 4.34Å; H193-I198 HydrophobicContact CB-CB 4.4Å; H193-I198 HydrophobicContact CB-CG2 3.77Å; H193-I198 WeakPolarHBondContact CE1-CD1 3.26Å; S195-I198 PolarHBondContact O-N 3.17Å; P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.21Å; I198-S200 VanDerWaalsContact C-N 3.33Å; I198-S200 PolarHBondContact O-N 3.36Å; I198-H201 PolarHBondContact O-N 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.24Å; I198-A202 PolarHBondContact O-N 3.41Å |
| 199 | R | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 173 | -62.4 | -165.4 | -60.4 | -85.1 | 4.8 | 110.8 | F191 H193 S194 S195 P196 H201 A202 V203 D234 V239 | F191-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 HydrophobicContact CB-CG 4.17Å; H193-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 VanDerWaalsContact O-CG 3.27Å; H193-R199 WeakPolarHBondContact O-CG 3.4Å; H193-R199 PolarHBondContact O-NH1 3.11Å; S194-R199 PolarHBondContact O-NH1 3.3Å; S195-R199 PolarHBondContact O-N 2.93Å; P196-R199 VanDerWaalsContact CA-CZ 3.49Å; P196-R199 PolarHBondContact O-N 3.18Å; R199-H201 PolarHBondContact O-N 3.34Å; R199-A202 PolarHBondContact O-N 3.12Å; R199-V203 WeakPolarHBondContact O-CG2 3.44Å; R199-V203 PolarHBondContact O-N 3.17Å; R199-D234 IonicContact CZ-OD1 3.88Å; R199-D234 IonicContact CZ-OD2 2.86Å; R199-D234 IonicContact NE-OD2 2.86Å; R199-D234 PolarHBondContact NE-OD2 2.89Å; R199-D234 IonicContact NH2-OD1 2.72Å; R199-D234 PolarHBondContact NH2-OD1 3.19Å; R199-D234 IonicContact NH2-OD2 3.79Å; R199-D234 PolarHBondContact NH2-OD2 3.07Å; R199-V239 HydrophobicContact CB-CG2 4.12Å |
| 200 | S | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 29 Ų | 29 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -49.8 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | P196 K197 I198 A202 V203 A204 E238 N242 | P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.98Å; K197-S200 PolarHBondContact O-N 2.94Å; I198-S200 VanDerWaalsContact C-N 3.33Å; I198-S200 PolarHBondContact O-N 3.36Å; S200-A202 VanDerWaalsContact C-N 3.32Å; S200-A202 PolarHBondContact O-N 2.75Å; S200-V203 PolarHBondContact O-N 3.13Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.31Å; S200-E238 PolarHBondContact OG-O 3.34Å; S200-N242 PolarHBondContact OG-ND2 3.25Å |
| 201 | H | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -43.1 | 175.3 | -74 | -48.7 | 0 | 0 | 0 | 112.7 | E154 F157 Q161 K197 I198 R199 V203 A204 C205 | E154-H201 IonicContact OE1-NE2 3.94Å; F157-H201 HydrophobicContact CB-CB 3.7Å; F157-H201 HydrophobicContact CD1-CB 3.81Å; F157-H201 HydrophobicContact CG-CB 3.84Å; Q161-H201 PolarHBondContact OE1-CE1 3.05Å; Q161-H201 PolarHBondContact OE1-ND1 2.81Å; K197-H201 PolarHBondContact O-CD2 3.23Å; K197-H201 VanDerWaalsContact O-CD2 3.23Å; K197-H201 PolarHBondContact O-N 3.47Å; I198-H201 PolarHBondContact O-N 3.31Å; R199-H201 PolarHBondContact O-N 3.34Å; H201-V203 PolarHBondContact O-N 3.11Å; H201-A204 PolarHBondContact O-N 3.4Å; H201-C205 PolarHBondContact O-N 3.42Å; H201-C205 PolarHBondContact O-SG 2.8Å |
| 202 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F157 F190 F191 I198 R199 S200 V206 | F157-A202 HydrophobicContact CE1-CB 3.94Å; F157-A202 HydrophobicContact CZ-CB 4.03Å; F190-A202 HydrophobicContact CB-CB 3.79Å; F191-A202 HydrophobicContact CD2-CB 3.82Å; F191-A202 HydrophobicContact CE2-CB 3.92Å; F191-A202 WeakPolarHBondContact CE2-O 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.24Å; I198-A202 PolarHBondContact O-N 3.41Å; R199-A202 PolarHBondContact O-N 3.12Å; S200-A202 VanDerWaalsContact C-N 3.32Å; S200-A202 PolarHBondContact O-N 2.75Å; A202-V206 WeakPolarHBondContact O-CG2 3.35Å; A202-V206 PolarHBondContact O-N 3.49Å |
| 203 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | F191 R199 S200 H201 C205 V206 N207 L228 L231 N242 | F191-V203 HydrophobicContact CD1-CG2 3.94Å; F191-V203 HydrophobicContact CD2-CG2 4.42Å; F191-V203 HydrophobicContact CE1-CB 4.42Å; F191-V203 HydrophobicContact CE1-CG2 3.67Å; F191-V203 HydrophobicContact CE2-CG2 4.16Å; F191-V203 HydrophobicContact CG-CG2 4.33Å; F191-V203 HydrophobicContact CZ-CB 4.17Å; F191-V203 HydrophobicContact CZ-CG2 3.79Å; R199-V203 WeakPolarHBondContact O-CG2 3.44Å; R199-V203 PolarHBondContact O-N 3.17Å; S200-V203 PolarHBondContact O-N 3.13Å; H201-V203 PolarHBondContact O-N 3.11Å; V203-C205 VanDerWaalsContact C-N 3.3Å; V203-C205 PolarHBondContact O-N 3.23Å; V203-V206 PolarHBondContact O-N 3.2Å; V203-V206 VanDerWaalsContact O-N 3.08Å; V203-N207 WeakPolarHBondContact O-CB 3.33Å; V203-N207 VanDerWaalsContact O-CG 3.28Å; V203-N207 PolarHBondContact O-N 3.16Å; V203-N207 PolarHBondContact O-OD1 3.13Å; V203-L228 HydrophobicContact CG1-CD2 4Å; V203-L231 HydrophobicContact CG2-CD1 3.47Å; V203-L231 VanDerWaalsContact CG2-CD1 3.47Å; V203-N242 HydrophobicContact CB-CB 4.04Å; V203-N242 HydrophobicContact CG1-CB 3.7Å |
| 204 | A | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -37.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q161 S200 H201 Q208 | Q161-A204 HydrophobicContact CG-CB 4.17Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.31Å; H201-A204 PolarHBondContact O-N 3.4Å; A204-Q208 WeakPolarHBondContact O-CG 3.18Å; A204-Q208 PolarHBondContact O-NE2 3.24Å |
| 205 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.4 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | Q161 F187 H201 V203 N207 F209 | Q161-C205 WeakPolarHBondContact CA-SG 3.25Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.69Å; F187-C205 HydrophobicContact CG-CB 4.29Å; F187-C205 HydrophobicContact CZ-CB 4.28Å; H201-C205 PolarHBondContact O-N 3.42Å; H201-C205 PolarHBondContact O-SG 2.8Å; V203-C205 VanDerWaalsContact C-N 3.3Å; V203-C205 PolarHBondContact O-N 3.23Å; C205-N207 VanDerWaalsContact C-N 3.34Å; C205-F209 VanDerWaalsContact O-CD2 3.25Å; C205-F209 WeakPolarHBondContact O-CD2 3.46Å; C205-F209 WeakPolarHBondContact O-CE2 3.41Å |
| 206 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -35.4 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | F187 F191 A202 V203 Q208 F209 L217 F224 | F187-V206 HydrophobicContact CB-CG2 3.78Å; F187-V206 HydrophobicContact CD2-CG2 4.11Å; F187-V206 HydrophobicContact CG-CG2 4.46Å; F191-V206 HydrophobicContact CE2-CG2 4.05Å; F191-V206 HydrophobicContact CZ-CB 4.31Å; F191-V206 HydrophobicContact CZ-CG2 4.08Å; A202-V206 WeakPolarHBondContact O-CG2 3.35Å; A202-V206 PolarHBondContact O-N 3.49Å; V203-V206 PolarHBondContact O-N 3.2Å; V203-V206 VanDerWaalsContact O-N 3.08Å; V206-Q208 PolarHBondContact O-N 3.32Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-F209 VanDerWaalsContact O-N 3.08Å; V206-L217 HydrophobicContact CG1-CD1 3.6Å; V206-L217 HydrophobicContact CG1-CD2 4.34Å; V206-F224 HydrophobicContact CB-CD2 4.43Å; V206-F224 HydrophobicContact CB-CE2 3.99Å; V206-F224 HydrophobicContact CB-CZ 4.45Å; V206-F224 HydrophobicContact CG1-CD1 4.41Å; V206-F224 HydrophobicContact CG1-CD2 3.66Å; V206-F224 HydrophobicContact CG1-CE1 4.26Å; V206-F224 HydrophobicContact CG1-CE2 3.49Å; V206-F224 VanDerWaalsContact CG1-CE2 3.49Å; V206-F224 HydrophobicContact CG1-CG 4.11Å; V206-F224 HydrophobicContact CG1-CZ 3.8Å |
| 207 | N | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.5 | -34.4 | 178.9 | -80.7 | 7.7 | 0 | 0 | 0 | 113.6 | V203 C205 F209 I210 N242 A246 M249 | V203-N207 WeakPolarHBondContact O-CB 3.33Å; V203-N207 VanDerWaalsContact O-CG 3.28Å; V203-N207 PolarHBondContact O-N 3.16Å; V203-N207 PolarHBondContact O-OD1 3.13Å; C205-N207 VanDerWaalsContact C-N 3.34Å; N207-F209 PolarHBondContact O-N 3.28Å; N207-I210 PolarHBondContact O-N 2.75Å; N207-N242 PolarHBondContact ND2-O 3.48Å; N207-A246 WeakPolarHBondContact OD1-CB 3.33Å; N207-M249 HydrophobicContact CB-CE 3.47Å; N207-M249 VanDerWaalsContact CB-CE 3.47Å |
| 208 | Q | 97.3 | Very high | 97.2 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.9 | 179.4 | -55.5 | -51.8 | -43.8 | 0 | 0 | 114.1 | C164 E165 A204 V206 | C164-Q208 HydrophobicContact CB-CB 4.21Å; C164-Q208 HydrophobicContact CB-CG 3.9Å; E165-Q208 HydrophobicContact CB-CG 4.46Å; A204-Q208 WeakPolarHBondContact O-CG 3.18Å; A204-Q208 PolarHBondContact O-NE2 3.24Å; V206-Q208 PolarHBondContact O-N 3.32Å |
| 209 | F | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 5.5 | -172.2 | -54.2 | -67.4 | 0 | 0 | 0 | 114 | C164 A168 L171 L180 C205 V206 N207 T214 L217 | C164-F209 HydrophobicContact CB-CE2 3.86Å; C164-F209 HydrophobicContact CB-CZ 3.68Å; A168-F209 HydrophobicContact CB-CD1 4.36Å; A168-F209 HydrophobicContact CB-CE1 3.99Å; L171-F209 HydrophobicContact CB-CE1 4.35Å; L171-F209 HydrophobicContact CD1-CE1 4.15Å; L171-F209 HydrophobicContact CD1-CZ 3.77Å; L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.71Å; L180-F209 HydrophobicContact CD1-CG 4.24Å; L180-F209 HydrophobicContact CD1-CZ 4.29Å; L180-F209 HydrophobicContact CD2-CD1 4.29Å; L180-F209 HydrophobicContact CD2-CD2 4.23Å; L180-F209 HydrophobicContact CD2-CE1 3.74Å; L180-F209 HydrophobicContact CD2-CE2 3.69Å; L180-F209 HydrophobicContact CD2-CZ 3.43Å; L180-F209 VanDerWaalsContact CD2-CZ 3.43Å; L180-F209 HydrophobicContact CG-CE1 4.35Å; L180-F209 HydrophobicContact CG-CZ 4.49Å; C205-F209 VanDerWaalsContact O-CD2 3.25Å; C205-F209 WeakPolarHBondContact O-CD2 3.46Å; C205-F209 WeakPolarHBondContact O-CE2 3.41Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-F209 VanDerWaalsContact O-N 3.08Å; N207-F209 PolarHBondContact O-N 3.28Å; F209-T214 HydrophobicContact CB-CG2 3.84Å; F209-T214 HydrophobicContact CD1-CG2 3.83Å; F209-T214 HydrophobicContact CG-CG2 4.24Å; F209-L217 HydrophobicContact CB-CD2 4.22Å; F209-L217 WeakPolarHBondContact O-CD2 3.47Å |
| 210 | I | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -61.2 | -178.9 | -58.7 | 175.5 | 0 | 0 | 0 | 110 | N207 S212 R213 L217 F224 A246 M249 L250 V253 | N207-I210 PolarHBondContact O-N 2.75Å; I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.04Å; I210-R213 PolarHBondContact O-N 3.15Å; I210-L217 HydrophobicContact CB-CD2 4.41Å; I210-L217 HydrophobicContact CG1-CD2 3.81Å; I210-F224 HydrophobicContact CD1-CE1 3.62Å; I210-F224 HydrophobicContact CD1-CZ 3.81Å; I210-F224 HydrophobicContact CG1-CE1 4.02Å; I210-F224 HydrophobicContact CG1-CZ 4.44Å; I210-A246 HydrophobicContact CD1-CB 4.14Å; I210-M249 HydrophobicContact CB-CB 4Å; I210-M249 HydrophobicContact CB-SD 4.43Å; I210-M249 HydrophobicContact CD1-CB 4.07Å; I210-M249 HydrophobicContact CD1-CE 3.78Å; I210-M249 HydrophobicContact CD1-SD 4.47Å; I210-M249 HydrophobicContact CG2-CB 3.65Å; I210-L250 HydrophobicContact CD1-CG 4.34Å; I210-L250 HydrophobicContact CG2-CD2 3.98Å; I210-L250 HydrophobicContact CG2-CG 4.16Å; I210-V253 HydrophobicContact CG2-CB 4.11Å; I210-V253 HydrophobicContact CG2-CG2 3.98Å; I210-V253 WeakPolarHBondContact O-CG1 3.42Å |
| 211 | I | 96.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 32.8 Ų | 32.8 | 44% | 0.436 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -41.9 | -176.5 | -60.1 | -56 | 0 | 0 | 0 | 112 | R213 M249 E252 V253 | I211-R213 PolarHBondContact O-N 3.37Å; I211-R213 VanDerWaalsContact O-N 3.16Å; I211-M249 HydrophobicContact CD1-CB 3.78Å; I211-M249 HydrophobicContact CD1-CG 3.88Å; I211-M249 HydrophobicContact CG1-CB 4.3Å; I211-M249 HydrophobicContact CG1-CG 4.06Å; I211-M249 HydrophobicContact CG1-SD 4.07Å; I211-E252 WeakPolarHBondContact CD1-OE2 3.15Å; I211-V253 HydrophobicContact CD1-CG2 3.84Å |
| 212 | S | 93.9 | Very high | 97.1 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.1 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | I210 T214 | I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.04Å; S212-T214 VanDerWaalsContact C-N 3.25Å; S212-T214 PolarHBondContact O-N 3.36Å; S212-T214 WeakPolarHBondContact OG-CG2 3.44Å |
| 213 | R | 95.3 | Very high | 97 | Very high | 136 Ų | 136 | 37.7 Ų | 37.7 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 35.5 | 176.2 | -65.8 | 169.1 | -172.5 | -99.2 | 0.2 | 114.1 | I210 I211 Q215 M218 E252 V253 | I210-R213 PolarHBondContact O-N 3.15Å; I211-R213 PolarHBondContact O-N 3.37Å; I211-R213 VanDerWaalsContact O-N 3.16Å; R213-Q215 PolarHBondContact O-N 3.27Å; R213-M218 HydrophobicContact CB-CE 4.29Å; R213-M218 HydrophobicContact CG-CE 4.38Å; R213-E252 PolarHBondContact NH2-O 3.39Å; R213-V253 HydrophobicContact CG-CG1 3.42Å; R213-V253 VanDerWaalsContact CG-CG1 3.42Å; R213-V253 PolarHBondContact NH1-O 2.84Å |
| 214 | T | 94.5 | Very high | 97 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -53.7 | 138.5 | -175.5 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | D172 L180 F209 S212 A216 L217 M218 | D172-T214 HydrophobicContact CB-CG2 3.96Å; D172-T214 WeakPolarHBondContact OD2-CA 3.21Å; D172-T214 WeakPolarHBondContact OD2-CB 3.4Å; L180-T214 HydrophobicContact CD1-CG2 3.95Å; F209-T214 HydrophobicContact CB-CG2 3.84Å; F209-T214 HydrophobicContact CD1-CG2 3.83Å; F209-T214 HydrophobicContact CG-CG2 4.24Å; S212-T214 VanDerWaalsContact C-N 3.25Å; S212-T214 PolarHBondContact O-N 3.36Å; S212-T214 WeakPolarHBondContact OG-CG2 3.44Å; T214-A216 PolarHBondContact O-N 2.92Å; T214-L217 PolarHBondContact O-N 3.42Å; T214-L217 VanDerWaalsContact O-N 3.15Å; T214-L217 VanDerWaalsContact OG1-CB 3.31Å; T214-L217 WeakPolarHBondContact OG1-CB 3.33Å; T214-L217 PolarHBondContact OG1-N 3.26Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 2.75Å | ||
| 215 | Q | 94.8 | Very high | 97 | Very high | 105 Ų | 105 | 38 Ų | 38 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.5 | -36.8 | -174.2 | -176.5 | 59.6 | 38.5 | 0 | 0 | 111.6 | R213 M218 L219 | R213-Q215 PolarHBondContact O-N 3.27Å; Q215-M218 PolarHBondContact O-N 3.4Å; Q215-L219 HydrophobicContact CG-CD1 4.48Å; Q215-L219 VanDerWaalsContact O-CG 3.31Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.1Å |
| 216 | A | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L180 N181 I184 T214 H220 | L180-A216 HydrophobicContact CB-CB 3.64Å; N181-A216 WeakPolarHBondContact OD1-CB 3.39Å; I184-A216 HydrophobicContact CD1-CB 3.79Å; T214-A216 PolarHBondContact O-N 2.92Å; A216-H220 PolarHBondContact O-CD2 3.3Å |
| 217 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 175.4 | -176.4 | 54.5 | 0 | 0 | 0 | 111.1 | I184 V206 F209 I210 T214 L219 H220 I221 F224 | I184-L217 HydrophobicContact CD1-CB 3.75Å; I184-L217 HydrophobicContact CG2-CD1 4.16Å; V206-L217 HydrophobicContact CG1-CD1 3.6Å; V206-L217 HydrophobicContact CG1-CD2 4.34Å; F209-L217 HydrophobicContact CB-CD2 4.22Å; F209-L217 WeakPolarHBondContact O-CD2 3.47Å; I210-L217 HydrophobicContact CB-CD2 4.41Å; I210-L217 HydrophobicContact CG1-CD2 3.81Å; T214-L217 PolarHBondContact O-N 3.42Å; T214-L217 VanDerWaalsContact O-N 3.15Å; T214-L217 VanDerWaalsContact OG1-CB 3.31Å; T214-L217 WeakPolarHBondContact OG1-CB 3.33Å; T214-L217 PolarHBondContact OG1-N 3.26Å; L217-L219 PolarHBondContact O-N 2.86Å; L217-H220 CarbonylContact O-C 3.6Å; L217-H220 VanDerWaalsContact O-C 3.3Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 PolarHBondContact O-N 3.49Å; L217-I221 HydrophobicContact CG-CD1 4.3Å; L217-I221 WeakPolarHBondContact O-CA 3.4Å; L217-I221 PolarHBondContact O-N 3.34Å; L217-F224 HydrophobicContact CD1-CB 4.22Å; L217-F224 HydrophobicContact CD1-CD1 4.12Å; L217-F224 HydrophobicContact CD1-CG 4.18Å |
| 218 | M | 97.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -29.8 | -178.5 | -68.7 | -57.9 | 139.7 | 0 | 0 | 113 | R213 T214 Q215 H220 I221 V253 R254 | R213-M218 HydrophobicContact CB-CE 4.29Å; R213-M218 HydrophobicContact CG-CE 4.38Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 2.75Å; Q215-M218 PolarHBondContact O-N 3.4Å; M218-H220 VanDerWaalsContact C-N 3.32Å; M218-I221 HydrophobicContact CE-CD1 4.32Å; M218-I221 WeakPolarHBondContact O-CG2 3.3Å; M218-I221 HydrophobicContact SD-CD1 4.46Å; M218-V253 HydrophobicContact CE-CG1 3.84Å; M218-R254 HydrophobicContact CE-CG 4.2Å; M218-R254 HydrophobicContact SD-CG 3.97Å |
| 219 | L | 97.3 | Very high | 97 | Very high | 114 Ų | 114 | 46 Ų | 46 | 60% | 0.597 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -70.1 | -26.6 | 171.9 | -71.1 | 171.3 | 0 | 0 | 0 | 113.5 | Q215 L217 | Q215-L219 HydrophobicContact CG-CD1 4.48Å; Q215-L219 VanDerWaalsContact O-CG 3.31Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 2.86Å |
| 220 | H | 97.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -111.6 | 11.9 | -177.8 | -67.3 | -68.6 | 0 | 0 | 0 | 113.6 | I184 P185 L188 A216 L217 M218 D222 S223 F224 | I184-H220 HydrophobicContact CG2-CB 4.35Å; P185-H220 WeakPolarHBondContact CG-NE2 3.24Å; L188-H220 HydrophobicContact CD1-CB 3.95Å; A216-H220 PolarHBondContact O-CD2 3.3Å; L217-H220 CarbonylContact O-C 3.6Å; L217-H220 VanDerWaalsContact O-C 3.3Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 PolarHBondContact O-N 3.49Å; M218-H220 VanDerWaalsContact C-N 3.32Å; H220-D222 VanDerWaalsContact C-N 3.34Å; H220-D222 PolarHBondContact O-N 3.03Å; H220-S223 WeakPolarHBondContact O-CB 3.44Å; H220-S223 PolarHBondContact O-N 3.45Å; H220-S223 VanDerWaalsContact O-N 3.15Å; H220-F224 PolarHBondContact O-N 2.56Å |
| 221 | I | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | -169.9 | -166.7 | 68.9 | 0 | 0 | 0 | 113.1 | L217 M218 F224 I225 L250 R254 | L217-I221 HydrophobicContact CG-CD1 4.3Å; L217-I221 WeakPolarHBondContact O-CA 3.4Å; L217-I221 PolarHBondContact O-N 3.34Å; M218-I221 HydrophobicContact CE-CD1 4.32Å; M218-I221 WeakPolarHBondContact O-CG2 3.3Å; M218-I221 HydrophobicContact SD-CD1 4.46Å; I221-F224 HydrophobicContact CD1-CD1 4.24Å; I221-F224 WeakPolarHBondContact O-CB 3.04Å; I221-F224 PolarHBondContact O-N 2.84Å; I221-I225 HydrophobicContact CG1-CD1 4.14Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.24Å; I221-L250 HydrophobicContact CD1-CD2 3.7Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.21Å |
| 222 | D | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.1 | -41.8 | -179.2 | -59.9 | -32.4 | 0 | 0 | 0 | 110.1 | H220 F224 I225 E226 R257 | H220-D222 VanDerWaalsContact C-N 3.34Å; H220-D222 PolarHBondContact O-N 3.03Å; D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.45Å; D222-I225 PolarHBondContact O-N 2.92Å; D222-E226 WeakPolarHBondContact O-CG 3.49Å; D222-E226 PolarHBondContact O-N 3.12Å; D222-R257 WeakPolarHBondContact OD1-CD 3.39Å; D222-R257 IonicContact OD1-NE 2.65Å; D222-R257 PolarHBondContact OD1-NE 3.19Å |
| 223 | S | 97.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | H220 E226 N227 | H220-S223 WeakPolarHBondContact O-CB 3.44Å; H220-S223 PolarHBondContact O-N 3.45Å; H220-S223 VanDerWaalsContact O-N 3.15Å; S223-E226 PolarHBondContact O-N 3.13Å; S223-N227 PolarHBondContact O-N 2.94Å; S223-N227 PolarHBondContact O-ND2 3.42Å; S223-N227 PolarHBondContact OG-ND2 2.96Å |
| 224 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 176.1 | 174.3 | -127.1 | 0 | 0 | 0 | 111.3 | L188 F191 V206 I210 L217 H220 I221 D222 E226 N227 L228 A246 L250 | L188-F224 HydrophobicContact CD2-CB 4Å; L188-F224 HydrophobicContact CD2-CD2 3.8Å; L188-F224 HydrophobicContact CD2-CG 4.37Å; F191-F224 AromaticContact CE1-CD2 3.78Å; F191-F224 HydrophobicContact CE1-CD2 3.78Å; F191-F224 AromaticContact CE1-CE2 3.73Å; F191-F224 HydrophobicContact CE1-CE2 3.73Å; F191-F224 AromaticContact CZ-CD2 3.81Å; F191-F224 HydrophobicContact CZ-CD2 3.81Å; F191-F224 AromaticContact CZ-CE2 3.67Å; F191-F224 HydrophobicContact CZ-CE2 3.67Å; V206-F224 HydrophobicContact CB-CD2 4.43Å; V206-F224 HydrophobicContact CB-CE2 3.99Å; V206-F224 HydrophobicContact CB-CZ 4.45Å; V206-F224 HydrophobicContact CG1-CD1 4.41Å; V206-F224 HydrophobicContact CG1-CD2 3.66Å; V206-F224 HydrophobicContact CG1-CE1 4.26Å; V206-F224 HydrophobicContact CG1-CE2 3.49Å; V206-F224 VanDerWaalsContact CG1-CE2 3.49Å; V206-F224 HydrophobicContact CG1-CG 4.11Å; V206-F224 HydrophobicContact CG1-CZ 3.8Å; I210-F224 HydrophobicContact CD1-CE1 3.62Å; I210-F224 HydrophobicContact CD1-CZ 3.81Å; I210-F224 HydrophobicContact CG1-CE1 4.02Å; I210-F224 HydrophobicContact CG1-CZ 4.44Å; L217-F224 HydrophobicContact CD1-CB 4.22Å; L217-F224 HydrophobicContact CD1-CD1 4.12Å; L217-F224 HydrophobicContact CD1-CG 4.18Å; H220-F224 PolarHBondContact O-N 2.56Å; I221-F224 HydrophobicContact CD1-CD1 4.24Å; I221-F224 WeakPolarHBondContact O-CB 3.04Å; I221-F224 PolarHBondContact O-N 2.84Å; D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.45Å; F224-E226 PolarHBondContact O-N 3.26Å; F224-N227 PolarHBondContact O-N 3.4Å; F224-N227 VanDerWaalsContact O-N 3.17Å; F224-L228 HydrophobicContact CD1-CD1 4.24Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CD2-CG 4.17Å; F224-L228 HydrophobicContact CE1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CG 4.48Å; F224-L228 HydrophobicContact CE2-CD1 4.01Å; F224-L228 HydrophobicContact CE2-CD2 3.78Å; F224-L228 HydrophobicContact CE2-CG 3.83Å; F224-L228 HydrophobicContact CZ-CD1 3.67Å; F224-L228 HydrophobicContact CZ-CD2 4.03Å; F224-L228 HydrophobicContact CZ-CG 4.02Å; F224-L228 WeakPolarHBondContact O-CG 3.18Å; F224-L228 PolarHBondContact O-N 3.29Å; F224-A246 HydrophobicContact CZ-CB 4.03Å; F224-L250 HydrophobicContact CD1-CD1 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.94Å; F224-L250 HydrophobicContact CE1-CD2 4.37Å; F224-L250 HydrophobicContact CE1-CG 4.35Å |
| 225 | I | 98 | Very high | 97 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 177.5 | -68.4 | 169.3 | 0 | 0 | 0 | 111.3 | I221 D222 N227 L228 F229 L250 R257 L258 | I221-I225 HydrophobicContact CG1-CD1 4.14Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.24Å; D222-I225 PolarHBondContact O-N 2.92Å; I225-N227 VanDerWaalsContact C-N 3.3Å; I225-N227 PolarHBondContact O-N 3.02Å; I225-L228 WeakPolarHBondContact O-CB 3.36Å; I225-L228 PolarHBondContact O-N 2.86Å; I225-F229 HydrophobicContact CG2-CD2 4.01Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.37Å; I225-F229 HydrophobicContact CG2-CZ 3.44Å; I225-F229 VanDerWaalsContact CG2-CZ 3.44Å; I225-F229 WeakPolarHBondContact O-CG 3.42Å; I225-F229 PolarHBondContact O-N 2.85Å; I225-L250 HydrophobicContact CG1-CD1 3.93Å; I225-R257 HydrophobicContact CD1-CB 3.57Å; I225-R257 HydrophobicContact CD1-CG 4.38Å; I225-L258 HydrophobicContact CD1-CD2 4.23Å |
| 226 | E | 97.4 | Very high | 97.2 | Very high | 138 Ų | 138 | 49 Ų | 49 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.3 | -40.9 | 175.9 | -76 | 177.2 | -172.4 | 0 | 0 | 112.4 | D222 S223 F224 F229 A230 | D222-E226 WeakPolarHBondContact O-CG 3.49Å; D222-E226 PolarHBondContact O-N 3.12Å; S223-E226 PolarHBondContact O-N 3.13Å; F224-E226 PolarHBondContact O-N 3.26Å; E226-F229 PolarHBondContact O-N 2.94Å; E226-A230 PolarHBondContact O-N 3.01Å; E226-A230 VanDerWaalsContact O-N 3.08Å |
| 227 | N | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.8 | -34.5 | 177.5 | -73.9 | -69.6 | 0 | 0 | 0 | 112.4 | F191 K192 S223 F224 I225 F229 A230 L231 | F191-N227 HydrophobicContact CB-CB 4.07Å; F191-N227 HydrophobicContact CD1-CB 3.49Å; F191-N227 VanDerWaalsContact CD1-CB 3.49Å; F191-N227 HydrophobicContact CE1-CB 4.2Å; F191-N227 HydrophobicContact CG-CB 4.06Å; K192-N227 VanDerWaalsContact CE-OD1 3.28Å; K192-N227 WeakPolarHBondContact CE-OD1 3.16Å; S223-N227 PolarHBondContact O-N 2.94Å; S223-N227 PolarHBondContact O-ND2 3.42Å; S223-N227 PolarHBondContact OG-ND2 2.96Å; F224-N227 PolarHBondContact O-N 3.4Å; F224-N227 VanDerWaalsContact O-N 3.17Å; I225-N227 VanDerWaalsContact C-N 3.3Å; I225-N227 PolarHBondContact O-N 3.02Å; N227-F229 VanDerWaalsContact C-N 3.34Å; N227-A230 PolarHBondContact O-N 3.32Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.2Å; N227-L231 VanDerWaalsContact O-N 3.08Å |
| 228 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 171.3 | -70.9 | 177.8 | 0 | 0 | 0 | 111.1 | F191 V203 F224 I225 A230 L231 A232 V243 A246 L247 L250 | F191-L228 HydrophobicContact CE1-CD2 4.13Å; V203-L228 HydrophobicContact CG1-CD2 4Å; F224-L228 HydrophobicContact CD1-CD1 4.24Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CD2-CG 4.17Å; F224-L228 HydrophobicContact CE1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CG 4.48Å; F224-L228 HydrophobicContact CE2-CD1 4.01Å; F224-L228 HydrophobicContact CE2-CD2 3.78Å; F224-L228 HydrophobicContact CE2-CG 3.83Å; F224-L228 HydrophobicContact CZ-CD1 3.67Å; F224-L228 HydrophobicContact CZ-CD2 4.03Å; F224-L228 HydrophobicContact CZ-CG 4.02Å; F224-L228 WeakPolarHBondContact O-CG 3.18Å; F224-L228 PolarHBondContact O-N 3.29Å; I225-L228 WeakPolarHBondContact O-CB 3.36Å; I225-L228 PolarHBondContact O-N 2.86Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.72Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.49Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.48Å; L228-A232 PolarHBondContact O-N 3.44Å; L228-V243 HydrophobicContact CD2-CG2 4.16Å; L228-A246 HydrophobicContact CD1-CB 3.67Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.39Å; L228-L247 HydrophobicContact CD1-CD2 4.39Å; L228-L250 HydrophobicContact CD1-CD1 3.6Å |
| 229 | F | 97.8 | Very high | 97.3 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 176.8 | -63.8 | -22.1 | 0 | 0 | 0 | 112.5 | I225 E226 N227 L231 A232 L247 H261 I265 | I225-F229 HydrophobicContact CG2-CD2 4.01Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.37Å; I225-F229 HydrophobicContact CG2-CZ 3.44Å; I225-F229 VanDerWaalsContact CG2-CZ 3.44Å; I225-F229 WeakPolarHBondContact O-CG 3.42Å; I225-F229 PolarHBondContact O-N 2.85Å; E226-F229 PolarHBondContact O-N 2.94Å; N227-F229 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.41Å; F229-A232 WeakPolarHBondContact O-CB 3.48Å; F229-A232 PolarHBondContact O-N 3.12Å; F229-L247 HydrophobicContact CE1-CD2 4.06Å; F229-H261 HydrophobicContact CE2-CB 4.06Å; F229-H261 AromaticContact CE2-CD2 3.74Å; F229-H261 AromaticContact CE2-CG 3.71Å; F229-H261 HydrophobicContact CZ-CB 3.85Å; F229-H261 AromaticContact CZ-CG 4Å; F229-I265 HydrophobicContact CE1-CD1 4.18Å; F229-I265 HydrophobicContact CE1-CG1 4.01Å; F229-I265 HydrophobicContact CZ-CD1 4.09Å; F229-I265 HydrophobicContact CZ-CG1 4.26Å |
| 230 | A | 96.9 | Very high | 97.4 | Very high | 73 Ų | 73 | 47.7 Ų | 47.7 | 60% | 0.603 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.1 | -28 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E226 N227 L228 | E226-A230 PolarHBondContact O-N 3.01Å; E226-A230 VanDerWaalsContact O-N 3.08Å; N227-A230 PolarHBondContact O-N 3.32Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.72Å |
| 231 | L | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -89 | -9.7 | 177.2 | -72.4 | 179.5 | 0 | 0 | 0 | 114.3 | F191 V203 N227 L228 F229 G233 D234 V239 V243 | F191-L231 HydrophobicContact CB-CD1 3.99Å; F191-L231 HydrophobicContact CD1-CD1 3.46Å; F191-L231 VanDerWaalsContact CD1-CD1 3.46Å; F191-L231 HydrophobicContact CD1-CG 4.47Å; F191-L231 HydrophobicContact CE1-CD1 4.24Å; F191-L231 HydrophobicContact CG-CD1 3.93Å; F191-L231 VanDerWaalsContact O-CD2 3.26Å; F191-L231 WeakPolarHBondContact O-CD2 3.43Å; V203-L231 HydrophobicContact CG2-CD1 3.47Å; V203-L231 VanDerWaalsContact CG2-CD1 3.47Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.2Å; N227-L231 VanDerWaalsContact O-N 3.08Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.49Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.48Å; F229-L231 PolarHBondContact O-N 3.41Å; L231-G233 PolarHBondContact O-N 2.99Å; L231-G233 VanDerWaalsContact O-N 3.08Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.45Å; L231-D234 PolarHBondContact O-N 3.09Å; L231-V239 HydrophobicContact CB-CG1 4.33Å; L231-V239 HydrophobicContact CD1-CG1 4.26Å; L231-V239 HydrophobicContact CD2-CG1 4.11Å; L231-V239 HydrophobicContact CG-CG1 4.49Å; L231-V243 HydrophobicContact CB-CG2 3.73Å; L231-V243 HydrophobicContact CD1-CG2 4.41Å |
| 232 | A | 95.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L228 F229 Y268 | L228-A232 PolarHBondContact O-N 3.44Å; F229-A232 WeakPolarHBondContact O-CB 3.48Å; F229-A232 PolarHBondContact O-N 3.12Å; A232-Y268 HydrophobicContact CB-CD2 4.07Å; A232-Y268 HydrophobicContact CB-CE2 3.69Å; A232-Y268 WeakPolarHBondContact O-CE2 3.32Å; A232-Y268 PolarHBondContact O-OH 2.96Å |
| 233 | G | 92.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 43 Ų | 43 | 73% | 0.732 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 13.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L231 | L231-G233 PolarHBondContact O-N 2.99Å; L231-G233 VanDerWaalsContact O-N 3.08Å |
| 234 | D | 97.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | trans | -63 | 139.4 | -177.2 | -152.7 | -58.9 | 0 | 0 | 0 | 112.5 | R199 L231 E236 V239 R240 | R199-D234 IonicContact CZ-OD1 3.88Å; R199-D234 IonicContact CZ-OD2 2.86Å; R199-D234 IonicContact NE-OD2 2.86Å; R199-D234 PolarHBondContact NE-OD2 2.89Å; R199-D234 IonicContact NH2-OD1 2.72Å; R199-D234 PolarHBondContact NH2-OD1 3.19Å; R199-D234 IonicContact NH2-OD2 3.79Å; R199-D234 PolarHBondContact NH2-OD2 3.07Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.45Å; L231-D234 PolarHBondContact O-N 3.09Å; D234-E236 VanDerWaalsContact C-N 3.33Å; D234-E236 PolarHBondContact OD1-N 3.44Å; D234-V239 HydrophobicContact CB-CB 4.02Å; D234-V239 HydrophobicContact CB-CG1 3.75Å; D234-R240 HydrophobicContact CB-CG 4.45Å; D234-R240 VanDerWaalsContact O-CD 3.22Å; D234-R240 WeakPolarHBondContact O-CD 3.11Å; D234-R240 VanDerWaalsContact O-CG 3.27Å; D234-R240 WeakPolarHBondContact O-CG 3.27Å; D234-R240 PolarHBondContact O-NH1 3.13Å | ||
| 235 | E | 96.1 | Very high | 97.5 | Very high | 187 Ų | 187 | 45.7 Ų | 45.7 | 87% | 0.874 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -75.6 | -23.2 | 179.4 | -64.8 | -176 | 170.8 | 0 | 0 | 112.3 | R240 | E235-R240 PolarHBondContact O-NH1 2.72Š|
| 236 | E | 97.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | trans | -81.1 | 126.3 | -179.9 | -171.2 | 71.4 | -142.9 | 0 | 0 | 112 | P196 D234 E238 V239 R240 | P196-E236 HydrophobicContact CB-CB 3.53Å; P196-E236 HydrophobicContact CB-CG 3.74Å; P196-E236 HydrophobicContact CG-CB 4.42Å; P196-E236 HydrophobicContact CG-CG 4.44Å; D234-E236 VanDerWaalsContact C-N 3.33Å; D234-E236 PolarHBondContact OD1-N 3.44Å; E236-E238 HydrophobicContact CG-CB 4.35Å; E236-E238 PolarHBondContact O-N 3.21Å; E236-V239 HydrophobicContact CB-CB 4.32Å; E236-V239 HydrophobicContact CB-CG2 3.9Å; E236-V239 HydrophobicContact CG-CG2 4.21Å; E236-V239 PolarHBondContact O-N 2.98Å; E236-R240 PolarHBondContact O-N 2.86Å; E236-R240 VanDerWaalsContact O-N 3.17Å | ||
| 237 | A | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V239 R240 K241 D277 V280 | A237-V239 PolarHBondContact O-N 3.23Å; A237-R240 PolarHBondContact O-N 2.65Å; A237-R240 VanDerWaalsContact O-N 3.1Å; A237-K241 WeakPolarHBondContact O-CB 3.36Å; A237-K241 PolarHBondContact O-N 2.94Å; A237-D277 HydrophobicContact CB-CB 3.76Å; A237-V280 HydrophobicContact CB-CG2 4.02Å; A237-V280 WeakPolarHBondContact O-CG2 3.17Å |
| 238 | E | 97.8 | Very high | 97.6 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.8 | -31.8 | 179.5 | -74.7 | -63.1 | 118.8 | 0 | 0 | 113.4 | S200 E236 K241 N242 | S200-E238 PolarHBondContact OG-O 3.34Å; E236-E238 HydrophobicContact CG-CB 4.35Å; E236-E238 PolarHBondContact O-N 3.21Å; E238-K241 IonicContact OE1-NZ 2.83Å; E238-K241 PolarHBondContact OE1-NZ 3.11Å; E238-K241 WeakPolarHBondContact OE2-CE 3.45Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.04Å; E238-N242 PolarHBondContact O-N 3.32Å; E238-N242 PolarHBondContact O-ND2 3.39Å; E238-N242 VanDerWaalsContact O-ND2 3.1Å |
| 239 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -48.6 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | P196 R199 L231 D234 E236 A237 K241 N242 V243 | P196-V239 HydrophobicContact CB-CG2 4.34Å; P196-V239 VanDerWaalsContact O-CG2 3.3Å; P196-V239 WeakPolarHBondContact O-CG2 3.49Å; R199-V239 HydrophobicContact CB-CG2 4.12Å; L231-V239 HydrophobicContact CB-CG1 4.33Å; L231-V239 HydrophobicContact CD1-CG1 4.26Å; L231-V239 HydrophobicContact CD2-CG1 4.11Å; L231-V239 HydrophobicContact CG-CG1 4.49Å; D234-V239 HydrophobicContact CB-CB 4.02Å; D234-V239 HydrophobicContact CB-CG1 3.75Å; E236-V239 HydrophobicContact CB-CB 4.32Å; E236-V239 HydrophobicContact CB-CG2 3.9Å; E236-V239 HydrophobicContact CG-CG2 4.21Å; E236-V239 PolarHBondContact O-N 2.98Å; A237-V239 PolarHBondContact O-N 3.23Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.36Å; V239-N242 PolarHBondContact O-N 3.41Å; V239-V243 HydrophobicContact CG1-CG2 4.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 3.37Å |
| 240 | R | 98.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 178.1 | -64.8 | -162.6 | -59.4 | -77.5 | 1.2 | 112.1 | D234 E235 E236 A237 N242 V243 C244 R272 D275 V280 | D234-R240 HydrophobicContact CB-CG 4.45Å; D234-R240 VanDerWaalsContact O-CD 3.22Å; D234-R240 WeakPolarHBondContact O-CD 3.11Å; D234-R240 VanDerWaalsContact O-CG 3.27Å; D234-R240 WeakPolarHBondContact O-CG 3.27Å; D234-R240 PolarHBondContact O-NH1 3.13Å; E235-R240 PolarHBondContact O-NH1 2.72Å; E236-R240 PolarHBondContact O-N 2.86Å; E236-R240 VanDerWaalsContact O-N 3.17Å; A237-R240 PolarHBondContact O-N 2.65Å; A237-R240 VanDerWaalsContact O-N 3.1Å; R240-N242 PolarHBondContact O-N 3Å; R240-V243 WeakPolarHBondContact O-CB 3.42Å; R240-V243 PolarHBondContact O-N 3Å; R240-V243 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-N 3.48Å; R240-C244 PolarHBondContact O-SG 3.28Å; R240-C244 VanDerWaalsContact O-SG 3.36Å; R240-R272 VanDerWaalsContact CD-NH1 3.33Å; R240-D275 IonicContact CZ-OD1 3.9Å; R240-D275 IonicContact CZ-OD2 2.74Å; R240-D275 IonicContact NE-OD1 2.8Å; R240-D275 IonicContact NE-OD2 3.93Å; R240-D275 PolarHBondContact NE-OD2 2.91Å; R240-D275 IonicContact NH2-OD1 2.99Å; R240-D275 PolarHBondContact NH2-OD1 3.5Å; R240-D275 IonicContact NH2-OD2 2.73Å; R240-D275 PolarHBondContact NH2-OD2 3.22Å; R240-V280 HydrophobicContact CB-CG1 3.83Å; R240-V280 HydrophobicContact CB-CG2 4.09Å |
| 241 | K | 98.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.7 | -52.4 | 176.2 | -171.3 | -176.6 | 69.6 | -168.4 | 0 | 111.2 | A237 E238 V239 V243 C244 R245 N279 V280 E283 | A237-K241 WeakPolarHBondContact O-CB 3.36Å; A237-K241 PolarHBondContact O-N 2.94Å; E238-K241 IonicContact OE1-NZ 2.83Å; E238-K241 PolarHBondContact OE1-NZ 3.11Å; E238-K241 WeakPolarHBondContact OE2-CE 3.45Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.04Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.36Å; K241-V243 VanDerWaalsContact C-N 3.31Å; K241-V243 PolarHBondContact O-N 2.96Å; K241-C244 PolarHBondContact O-N 2.98Å; K241-R245 WeakPolarHBondContact O-CB 3.42Å; K241-R245 PolarHBondContact O-N 3Å; K241-N279 HydrophobicContact CD-CB 3.68Å; K241-N279 HydrophobicContact CG-CB 4.39Å; K241-V280 HydrophobicContact CB-CG2 3.96Å; K241-E283 HydrophobicContact CD-CG 4.48Å; K241-E283 HydrophobicContact CG-CB 4.43Å; K241-E283 HydrophobicContact CG-CG 3.7Å |
| 242 | N | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -30.7 | 178.8 | -77.9 | -43.3 | 0 | 0 | 0 | 113.2 | S200 V203 N207 E238 V239 R240 A246 | S200-N242 PolarHBondContact OG-ND2 3.25Å; V203-N242 HydrophobicContact CB-CB 4.04Å; V203-N242 HydrophobicContact CG1-CB 3.7Å; N207-N242 PolarHBondContact ND2-O 3.48Å; E238-N242 PolarHBondContact O-N 3.32Å; E238-N242 PolarHBondContact O-ND2 3.39Å; E238-N242 VanDerWaalsContact O-ND2 3.1Å; V239-N242 PolarHBondContact O-N 3.41Å; R240-N242 PolarHBondContact O-N 3Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.25Å; N242-A246 PolarHBondContact O-N 3.42Å |
| 243 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.5 | -45.7 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | L228 L231 V239 R240 K241 A246 L247 Y268 | L228-V243 HydrophobicContact CD2-CG2 4.16Å; L231-V243 HydrophobicContact CB-CG2 3.73Å; L231-V243 HydrophobicContact CD1-CG2 4.41Å; V239-V243 HydrophobicContact CG1-CG2 4.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 3.37Å; R240-V243 WeakPolarHBondContact O-CB 3.42Å; R240-V243 PolarHBondContact O-N 3Å; R240-V243 VanDerWaalsContact O-N 3.11Å; K241-V243 VanDerWaalsContact C-N 3.31Å; K241-V243 PolarHBondContact O-N 2.96Å; V243-A246 WeakPolarHBondContact O-CB 3.39Å; V243-A246 PolarHBondContact O-N 3.28Å; V243-L247 HydrophobicContact CG1-CD1 4.19Å; V243-L247 WeakPolarHBondContact O-CG 3.42Å; V243-L247 PolarHBondContact O-N 3.42Å; V243-Y268 HydrophobicContact CG1-CE1 4.23Å |
| 244 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.5 | -53.6 | 175.3 | -66.8 | 0 | 0 | 0 | 0 | 110.4 | R240 K241 A246 L247 V248 M269 E283 A284 | R240-C244 PolarHBondContact O-N 3.48Å; R240-C244 PolarHBondContact O-SG 3.28Å; R240-C244 VanDerWaalsContact O-SG 3.36Å; K241-C244 PolarHBondContact O-N 2.98Å; C244-A246 VanDerWaalsContact C-N 3.28Å; C244-A246 PolarHBondContact O-N 3.5Å; C244-L247 WeakPolarHBondContact O-CB 3.14Å; C244-L247 PolarHBondContact O-N 2.87Å; C244-V248 WeakPolarHBondContact O-CG2 3.35Å; C244-V248 PolarHBondContact O-N 3.39Å; C244-M269 HydrophobicContact CB-CE 4.46Å; C244-M269 HydrophobicContact CB-SD 4.44Å; C244-E283 HydrophobicContact CB-CB 3.87Å; C244-A284 HydrophobicContact CB-CB 4.4Å |
| 245 | R | 98.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 36.4 Ų | 36.4 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.5 | -42.9 | 177.5 | -168.3 | 175.3 | 168.8 | 173 | 0.1 | 112.7 | K241 L247 V248 M249 E283 | K241-R245 WeakPolarHBondContact O-CB 3.42Å; K241-R245 PolarHBondContact O-N 3Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.44Å; R245-V248 PolarHBondContact O-N 3.33Å; R245-M249 HydrophobicContact CG-CE 3.82Å; R245-M249 WeakPolarHBondContact O-CE 3.45Å; R245-M249 WeakPolarHBondContact O-CG 3.46Å; R245-M249 PolarHBondContact O-N 3.26Å; R245-E283 VanDerWaalsContact CB-OE2 3.26Å; R245-E283 WeakPolarHBondContact CB-OE2 3.46Å; R245-E283 VanDerWaalsContact CG-OE2 3.29Å; R245-E283 WeakPolarHBondContact CG-OE2 3.41Å |
| 246 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N207 I210 F224 L228 N242 V243 C244 M249 L250 | N207-A246 WeakPolarHBondContact OD1-CB 3.33Å; I210-A246 HydrophobicContact CD1-CB 4.14Å; F224-A246 HydrophobicContact CZ-CB 4.03Å; L228-A246 HydrophobicContact CD1-CB 3.67Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.39Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.25Å; N242-A246 PolarHBondContact O-N 3.42Å; V243-A246 WeakPolarHBondContact O-CB 3.39Å; V243-A246 PolarHBondContact O-N 3.28Å; C244-A246 VanDerWaalsContact C-N 3.28Å; C244-A246 PolarHBondContact O-N 3.5Å; A246-M249 PolarHBondContact O-N 3.5Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 WeakPolarHBondContact O-CG 3.17Å; A246-L250 PolarHBondContact O-N 3.43Å |
| 247 | L | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.1 | -35.6 | 179.7 | -69.9 | 171.6 | 0 | 0 | 0 | 112.1 | L228 F229 V243 C244 R245 L250 L251 L258 Y268 M269 | L228-L247 HydrophobicContact CD1-CD2 4.39Å; F229-L247 HydrophobicContact CE1-CD2 4.06Å; V243-L247 HydrophobicContact CG1-CD1 4.19Å; V243-L247 WeakPolarHBondContact O-CG 3.42Å; V243-L247 PolarHBondContact O-N 3.42Å; C244-L247 WeakPolarHBondContact O-CB 3.14Å; C244-L247 PolarHBondContact O-N 2.87Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.44Å; L247-L250 PolarHBondContact O-N 2.9Å; L247-L251 PolarHBondContact O-N 2.88Å; L247-L258 HydrophobicContact CD2-CD2 4.34Å; L247-Y268 HydrophobicContact CD1-CD1 3.95Å; L247-Y268 HydrophobicContact CD1-CE1 3.91Å; L247-M269 HydrophobicContact CB-CE 3.36Å; L247-M269 HydrophobicContact CD1-CE 3.72Å; L247-M269 HydrophobicContact CG-CE 4.18Å |
| 248 | V | 98.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -54.7 | 171.2 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | C244 R245 L250 L251 M269 E283 E286 F287 T290 | C244-V248 WeakPolarHBondContact O-CG2 3.35Å; C244-V248 PolarHBondContact O-N 3.39Å; R245-V248 PolarHBondContact O-N 3.33Å; V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.33Å; V248-L251 WeakPolarHBondContact O-CB 3.44Å; V248-L251 PolarHBondContact O-N 3.22Å; V248-M269 HydrophobicContact CG2-CE 4.47Å; V248-E283 WeakPolarHBondContact CG2-O 3.21Å; V248-E286 HydrophobicContact CG1-CB 4.29Å; V248-E286 HydrophobicContact CG2-CB 4.16Å; V248-F287 HydrophobicContact CG2-CB 3.9Å; V248-F287 HydrophobicContact CG2-CD2 4.46Å; V248-T290 HydrophobicContact CG1-CG2 4.46Å; V248-T290 WeakPolarHBondContact CG1-OG1 3.46Å |
| 249 | M | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 177.8 | -67.3 | -175.4 | -77.1 | 0 | 0 | 112.8 | N207 I210 I211 R245 A246 L251 E252 V253 | N207-M249 HydrophobicContact CB-CE 3.47Å; N207-M249 VanDerWaalsContact CB-CE 3.47Å; I210-M249 HydrophobicContact CB-CB 4Å; I210-M249 HydrophobicContact CB-SD 4.43Å; I210-M249 HydrophobicContact CD1-CB 4.07Å; I210-M249 HydrophobicContact CD1-CE 3.78Å; I210-M249 HydrophobicContact CD1-SD 4.47Å; I210-M249 HydrophobicContact CG2-CB 3.65Å; I211-M249 HydrophobicContact CD1-CB 3.78Å; I211-M249 HydrophobicContact CD1-CG 3.88Å; I211-M249 HydrophobicContact CG1-CB 4.3Å; I211-M249 HydrophobicContact CG1-CG 4.06Å; I211-M249 HydrophobicContact CG1-SD 4.07Å; R245-M249 HydrophobicContact CG-CE 3.82Å; R245-M249 WeakPolarHBondContact O-CE 3.45Å; R245-M249 WeakPolarHBondContact O-CG 3.46Å; R245-M249 PolarHBondContact O-N 3.26Å; A246-M249 PolarHBondContact O-N 3.5Å; M249-L251 VanDerWaalsContact C-N 3.27Å; M249-L251 PolarHBondContact O-N 3.07Å; M249-E252 PolarHBondContact O-N 3Å; M249-V253 VanDerWaalsContact O-CG2 3.25Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.34Å |
| 250 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -25.8 | 176.6 | -77.3 | 168.8 | 0 | 0 | 0 | 112.9 | I210 I221 F224 I225 L228 A246 L247 V248 E252 V253 R254 M255 L258 | I210-L250 HydrophobicContact CD1-CG 4.34Å; I210-L250 HydrophobicContact CG2-CD2 3.98Å; I210-L250 HydrophobicContact CG2-CG 4.16Å; I221-L250 HydrophobicContact CD1-CD2 3.7Å; F224-L250 HydrophobicContact CD1-CD1 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.94Å; F224-L250 HydrophobicContact CE1-CD2 4.37Å; F224-L250 HydrophobicContact CE1-CG 4.35Å; I225-L250 HydrophobicContact CG1-CD1 3.93Å; L228-L250 HydrophobicContact CD1-CD1 3.6Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 WeakPolarHBondContact O-CG 3.17Å; A246-L250 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 2.9Å; V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.33Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-V253 PolarHBondContact O-N 2.92Å; L250-R254 HydrophobicContact CD2-CB 4.36Å; L250-R254 CarbonylContact O-C 3.59Å; L250-R254 WeakPolarHBondContact O-CA 3.39Å; L250-R254 PolarHBondContact O-N 2.76Å; L250-M255 PolarHBondContact O-N 3.08Å; L250-L258 HydrophobicContact CB-CD1 3.79Å; L250-L258 HydrophobicContact CB-CD2 4.24Å; L250-L258 HydrophobicContact CB-CG 4.23Å; L250-L258 HydrophobicContact CD1-CD2 4.36Å |
| 251 | L | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.3 | -172 | 62 | 0 | 0 | 0 | 110.9 | L247 V248 M249 M255 L258 M262 F287 T290 L291 Q294 | L247-L251 PolarHBondContact O-N 2.88Å; V248-L251 WeakPolarHBondContact O-CB 3.44Å; V248-L251 PolarHBondContact O-N 3.22Å; M249-L251 VanDerWaalsContact C-N 3.27Å; M249-L251 PolarHBondContact O-N 3.07Å; L251-M255 HydrophobicContact CD1-CG 4.28Å; L251-M255 WeakPolarHBondContact O-CB 3.25Å; L251-L258 HydrophobicContact CB-CD1 4.36Å; L251-L258 HydrophobicContact CD1-CD1 4.47Å; L251-M262 HydrophobicContact CD1-CE 3.83Å; L251-F287 HydrophobicContact CD1-CE2 4.4Å; L251-F287 HydrophobicContact CD2-CD2 4.03Å; L251-F287 HydrophobicContact CD2-CE2 3.78Å; L251-F287 HydrophobicContact CD2-CZ 4.28Å; L251-F287 HydrophobicContact CG-CE2 4.47Å; L251-T290 HydrophobicContact CB-CG2 4.32Å; L251-T290 HydrophobicContact CD2-CG2 3.95Å; L251-T290 HydrophobicContact CG-CG2 4.33Å; L251-L291 HydrophobicContact CD1-CD1 4.13Å; L251-L291 HydrophobicContact CD2-CB 3.64Å; L251-L291 HydrophobicContact CD2-CD1 4.06Å; L251-L291 HydrophobicContact CD2-CG 4.4Å; L251-Q294 HydrophobicContact CG-CG 4.39Å |
| 252 | E | 94.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 37 Ų | 37 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.6 | -36.6 | 175.5 | -63.1 | 172.7 | -158.8 | 0 | 0 | 112.5 | I211 R213 M249 L250 T290 | I211-E252 WeakPolarHBondContact CD1-OE2 3.15Å; R213-E252 PolarHBondContact NH2-O 3.39Å; M249-E252 PolarHBondContact O-N 3Å; L250-E252 VanDerWaalsContact C-N 3.33Å; E252-T290 HydrophobicContact CG-CG2 3.49Å; E252-T290 VanDerWaalsContact CG-CG2 3.49Å |
| 253 | V | 95.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -94.6 | -46.3 | -166.5 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | I210 I211 R213 M218 M249 L250 | I210-V253 HydrophobicContact CG2-CB 4.11Å; I210-V253 HydrophobicContact CG2-CG2 3.98Å; I210-V253 WeakPolarHBondContact O-CG1 3.42Å; I211-V253 HydrophobicContact CD1-CG2 3.84Å; R213-V253 HydrophobicContact CG-CG1 3.42Å; R213-V253 VanDerWaalsContact CG-CG1 3.42Å; R213-V253 PolarHBondContact NH1-O 2.84Å; M218-V253 HydrophobicContact CE-CG1 3.84Å; M249-V253 VanDerWaalsContact O-CG2 3.25Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.34Å; L250-V253 PolarHBondContact O-N 2.92Å |
| 254 | R | 94.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -135.6 | 48.1 | -173 | -68.2 | -54.9 | -57.8 | -87.1 | 0.3 | 112.1 | M218 I221 L250 D256 R257 L258 | M218-R254 HydrophobicContact CE-CG 4.2Å; M218-R254 HydrophobicContact SD-CG 3.97Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.21Å; L250-R254 HydrophobicContact CD2-CB 4.36Å; L250-R254 CarbonylContact O-C 3.59Å; L250-R254 WeakPolarHBondContact O-CA 3.39Å; L250-R254 PolarHBondContact O-N 2.76Å; R254-D256 WeakPolarHBondContact CA-OD1 3.37Å; R254-D256 IonicContact CZ-OD1 3.86Å; R254-D256 IonicContact CZ-OD2 2.66Å; R254-D256 IonicContact NE-OD1 2.72Å; R254-D256 PolarHBondContact NE-OD1 2.85Å; R254-D256 IonicContact NE-OD2 3.03Å; R254-D256 IonicContact NH2-OD1 3.59Å; R254-D256 IonicContact NH2-OD2 2.72Å; R254-D256 PolarHBondContact NH2-OD2 2.92Å; R254-D256 PolarHBondContact O-N 3.48Å; R254-D256 VanDerWaalsContact O-N 3.09Å; R254-R257 HydrophobicContact CB-CB 4.39Å; R254-R257 HydrophobicContact CB-CG 4.45Å; R254-R257 VanDerWaalsContact NH2-CG 3.25Å; R254-R257 VanDerWaalsContact NH2-CZ 3.27Å; R254-R257 PolarHBondContact O-N 3.27Å; R254-L258 PolarHBondContact O-N 3.2Å |
| 255 | M | 93.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -48.7 | -37.2 | 172.3 | -169.7 | 168.7 | 60.3 | 0 | 0 | 112.5 | L250 L251 R257 L258 L259 Q294 I296 | L250-M255 PolarHBondContact O-N 3.08Å; L251-M255 HydrophobicContact CD1-CG 4.28Å; L251-M255 WeakPolarHBondContact O-CB 3.25Å; M255-R257 PolarHBondContact O-N 3.12Å; M255-R257 VanDerWaalsContact O-N 3.16Å; M255-L258 PolarHBondContact O-N 3.15Å; M255-L259 HydrophobicContact CG-CG 4.26Å; M255-L259 WeakPolarHBondContact O-CG 3.29Å; M255-L259 PolarHBondContact O-N 2.82Å; M255-Q294 HydrophobicContact SD-CB 4.21Å; M255-Q294 HydrophobicContact SD-CG 4.16Å; M255-I296 HydrophobicContact CE-CD1 4.42Å; M255-I296 HydrophobicContact CE-CG2 4.41Å; M255-I296 HydrophobicContact CG-CD1 3.88Å; M255-I296 HydrophobicContact SD-CD1 3.29Å; M255-I296 WeakPolarHBondContact SD-CD1 3.44Å; M255-I296 HydrophobicContact SD-CG1 3.69Å |
| 256 | D | 95.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.4 | -32.2 | 177.3 | 70.7 | -64.4 | 0 | 0 | 0 | 113.6 | R254 | R254-D256 WeakPolarHBondContact CA-OD1 3.37Å; R254-D256 IonicContact CZ-OD1 3.86Å; R254-D256 IonicContact CZ-OD2 2.66Å; R254-D256 IonicContact NE-OD1 2.72Å; R254-D256 PolarHBondContact NE-OD1 2.85Å; R254-D256 IonicContact NE-OD2 3.03Å; R254-D256 IonicContact NH2-OD1 3.59Å; R254-D256 IonicContact NH2-OD2 2.72Å; R254-D256 PolarHBondContact NH2-OD2 2.92Å; R254-D256 PolarHBondContact O-N 3.48Å; R254-D256 VanDerWaalsContact O-N 3.09Å |
| 257 | R | 96 | Very high | 96.3 | Very high | 98 Ų | 98 | 45.6 Ų | 45.6 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -87.3 | -26.2 | 177.9 | -67.4 | -59.9 | -166.2 | -108.7 | 12.2 | 113.4 | D222 I225 R254 M255 P260 | D222-R257 WeakPolarHBondContact OD1-CD 3.39Å; D222-R257 IonicContact OD1-NE 2.65Å; D222-R257 PolarHBondContact OD1-NE 3.19Å; I225-R257 HydrophobicContact CD1-CB 3.57Å; I225-R257 HydrophobicContact CD1-CG 4.38Å; R254-R257 HydrophobicContact CB-CB 4.39Å; R254-R257 HydrophobicContact CB-CG 4.45Å; R254-R257 VanDerWaalsContact NH2-CG 3.25Å; R254-R257 VanDerWaalsContact NH2-CZ 3.27Å; R254-R257 PolarHBondContact O-N 3.27Å; M255-R257 PolarHBondContact O-N 3.12Å; M255-R257 VanDerWaalsContact O-N 3.16Å; R257-P260 WeakPolarHBondContact O-CD 3.16Å |
| 258 | L | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.6 | -32 | 175.2 | -60.8 | -168.2 | 0 | 0 | 0 | 112.3 | I225 L247 L250 L251 R254 M255 P260 H261 M262 I265 | I225-L258 HydrophobicContact CD1-CD2 4.23Å; L247-L258 HydrophobicContact CD2-CD2 4.34Å; L250-L258 HydrophobicContact CB-CD1 3.79Å; L250-L258 HydrophobicContact CB-CD2 4.24Å; L250-L258 HydrophobicContact CB-CG 4.23Å; L250-L258 HydrophobicContact CD1-CD2 4.36Å; L251-L258 HydrophobicContact CB-CD1 4.36Å; L251-L258 HydrophobicContact CD1-CD1 4.47Å; R254-L258 PolarHBondContact O-N 3.2Å; M255-L258 PolarHBondContact O-N 3.15Å; L258-P260 VanDerWaalsContact C-CD 3.46Å; L258-H261 CarbonylContact O-C 3.35Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 PolarHBondContact O-N 3.3Å; L258-M262 HydrophobicContact CB-CE 4.06Å; L258-M262 PolarHBondContact O-N 3.45Å; L258-I265 HydrophobicContact CB-CD1 3.83Å; L258-I265 HydrophobicContact CD1-CD1 4.37Å; L258-I265 HydrophobicContact CD2-CD1 3.89Å; L258-I265 HydrophobicContact CG-CD1 4.24Å |
| 259 | L | 95.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 41% | 0.414 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -47.4 | -46.6 | -176.5 | -86.5 | 176.9 | 0 | 0 | 0 | 114.9 | M255 H261 M262 I296 | M255-L259 HydrophobicContact CG-CG 4.26Å; M255-L259 WeakPolarHBondContact O-CG 3.29Å; M255-L259 PolarHBondContact O-N 2.82Å; L259-H261 PolarHBondContact O-N 2.99Å; L259-H261 VanDerWaalsContact O-N 3.14Å; L259-M262 WeakPolarHBondContact O-CB 3.32Å; L259-M262 PolarHBondContact O-N 3.17Å; L259-I296 HydrophobicContact CD2-CD1 3.55Å; L259-I296 HydrophobicContact CG-CD1 4.48Å |
| 260 | P | 95.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 66% | 0.656 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -61.1 | -22.8 | 177.8 | -23.6 | 34.9 | 0 | 0 | 0 | 114.4 | R257 L258 | R257-P260 WeakPolarHBondContact O-CD 3.16Å; L258-P260 VanDerWaalsContact C-CD 3.46Å |
| 261 | H | 96.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -111.4 | 2.9 | -177.1 | -56.1 | -68.7 | 0 | 0 | 0 | 112.8 | F229 L258 L259 H263 N264 I265 | F229-H261 HydrophobicContact CE2-CB 4.06Å; F229-H261 AromaticContact CE2-CD2 3.74Å; F229-H261 AromaticContact CE2-CG 3.71Å; F229-H261 HydrophobicContact CZ-CB 3.85Å; F229-H261 AromaticContact CZ-CG 4Å; L258-H261 CarbonylContact O-C 3.35Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 PolarHBondContact O-N 3.3Å; L259-H261 PolarHBondContact O-N 2.99Å; L259-H261 VanDerWaalsContact O-N 3.14Å; H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 2.81Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H261-N264 WeakPolarHBondContact O-CB 3.42Å; H261-N264 PolarHBondContact O-N 3.29Å; H261-I265 HydrophobicContact CB-CD1 4.1Å; H261-I265 HydrophobicContact CB-CG1 4.37Å; H261-I265 PolarHBondContact O-N 2.95Å |
| 262 | M | 95.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.5 | -41.7 | -166.8 | -173.5 | 58.4 | 71.3 | 0 | 0 | 113.1 | L251 L258 L259 N264 I265 V266 F287 I296 V300 | L251-M262 HydrophobicContact CD1-CE 3.83Å; L258-M262 HydrophobicContact CB-CE 4.06Å; L258-M262 PolarHBondContact O-N 3.45Å; L259-M262 WeakPolarHBondContact O-CB 3.32Å; L259-M262 PolarHBondContact O-N 3.17Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.07Å; M262-I265 PolarHBondContact O-N 2.89Å; M262-V266 HydrophobicContact CG-CG2 4.35Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.27Å; M262-V266 PolarHBondContact O-N 3.06Å; M262-V266 HydrophobicContact SD-CG2 4.26Å; M262-F287 HydrophobicContact SD-CZ 4.08Å; M262-I296 HydrophobicContact CE-CD1 4.23Å; M262-V300 HydrophobicContact CG-CB 4.27Å; M262-V300 HydrophobicContact CG-CG1 3.4Å; M262-V300 HydrophobicContact CG-CG2 3.78Å; M262-V300 HydrophobicContact SD-CG1 4.15Å |
| 263 | H | 95 | Very high | 96.7 | Very high | 115 Ų | 115 | 48.5 Ų | 48.5 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 177.4 | -177.4 | 62.3 | 0 | 0 | 0 | 113 | H261 E267 H304 | H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 2.81Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H263-E267 PolarHBondContact O-N 3.22Å; H263-H304 AromaticContact CE1-CE1 3.24Å; H263-H304 PolarHBondContact CE1-CE1 2.62Å; H263-H304 AromaticContact CE1-NE2 3.4Å; H263-H304 PolarHBondContact CE1-NE2 2.99Å; H263-H304 AromaticContact ND1-CE1 3.18Å; H263-H304 PolarHBondContact ND1-CE1 3.29Å; H263-H304 AromaticContact ND1-NE2 2.93Å; H263-H304 PolarHBondContact ND1-NE2 3.42Å |
| 264 | N | 96.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 53.7 Ų | 53.7 | 60% | 0.599 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.1 | -36.1 | 177.5 | -65.4 | -17.1 | 0 | 0 | 0 | 111.3 | H261 M262 E267 Y268 | H261-N264 WeakPolarHBondContact O-CB 3.42Å; H261-N264 PolarHBondContact O-N 3.29Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.07Å; N264-E267 PolarHBondContact O-N 2.89Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.46Å |
| 265 | I | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.2 | -64.3 | 168.4 | 0 | 0 | 0 | 109.8 | F229 L258 H261 M262 Y268 M269 F287 | F229-I265 HydrophobicContact CE1-CD1 4.18Å; F229-I265 HydrophobicContact CE1-CG1 4.01Å; F229-I265 HydrophobicContact CZ-CD1 4.09Å; F229-I265 HydrophobicContact CZ-CG1 4.26Å; L258-I265 HydrophobicContact CB-CD1 3.83Å; L258-I265 HydrophobicContact CD1-CD1 4.37Å; L258-I265 HydrophobicContact CD2-CD1 3.89Å; L258-I265 HydrophobicContact CG-CD1 4.24Å; H261-I265 HydrophobicContact CB-CD1 4.1Å; H261-I265 HydrophobicContact CB-CG1 4.37Å; H261-I265 PolarHBondContact O-N 2.95Å; M262-I265 PolarHBondContact O-N 2.89Å; I265-Y268 WeakPolarHBondContact O-CB 3.41Å; I265-Y268 PolarHBondContact O-N 3.4Å; I265-M269 HydrophobicContact CG2-CG 4.25Å; I265-M269 WeakPolarHBondContact O-CB 3.35Å; I265-M269 WeakPolarHBondContact O-CG 3.21Å; I265-M269 PolarHBondContact O-N 3.04Å; I265-F287 HydrophobicContact CG2-CE2 3.8Å; I265-F287 HydrophobicContact CG2-CZ 3.71Å |
| 266 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | M262 Y268 M269 L270 F287 W288 V300 L301 H304 | M262-V266 HydrophobicContact CG-CG2 4.35Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.27Å; M262-V266 PolarHBondContact O-N 3.06Å; M262-V266 HydrophobicContact SD-CG2 4.26Å; V266-Y268 VanDerWaalsContact C-N 3.27Å; V266-Y268 PolarHBondContact O-N 3.49Å; V266-M269 PolarHBondContact O-N 3.14Å; V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.36Å; V266-L270 PolarHBondContact O-N 3.13Å; V266-F287 HydrophobicContact CG2-CE1 4.21Å; V266-W288 HydrophobicContact CG1-CH2 4.06Å; V266-W288 HydrophobicContact CG1-CZ3 4.08Å; V266-W288 HydrophobicContact CG2-CZ3 4.46Å; V266-V300 HydrophobicContact CG2-CG1 3.72Å; V266-L301 HydrophobicContact CG1-CD2 3.93Å; V266-L301 HydrophobicContact CG2-CD2 4.05Å; V266-H304 HydrophobicContact CG1-CB 3.99Å |
| 267 | E | 97.7 | Very high | 97 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 176.4 | -69.7 | -72.3 | 145.6 | 0 | 0 | 112.2 | H263 N264 Q271 H304 K307 | H263-E267 PolarHBondContact O-N 3.22Å; N264-E267 PolarHBondContact O-N 2.89Å; E267-Q271 PolarHBondContact O-N 3.09Å; E267-H304 IonicContact OE1-CE1 3.47Å; E267-H304 PolarHBondContact OE1-CE1 3.35Å; E267-H304 IonicContact OE1-ND1 2.86Å; E267-H304 PolarHBondContact OE1-ND1 2.95Å; E267-K307 IonicContact OE1-NZ 2.66Å; E267-K307 PolarHBondContact OE1-NZ 2.9Å; E267-K307 IonicContact OE2-NZ 3.48Å; E267-K307 PolarHBondContact OE2-NZ 3.14Å |
| 268 | Y | 98.3 | Very high | 96.9 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -51.2 | 173.2 | 173.9 | -109.1 | 0 | 0 | 0 | 111.9 | A232 V243 L247 N264 I265 V266 L270 Q271 R272 | A232-Y268 HydrophobicContact CB-CD2 4.07Å; A232-Y268 HydrophobicContact CB-CE2 3.69Å; A232-Y268 WeakPolarHBondContact O-CE2 3.32Å; A232-Y268 PolarHBondContact O-OH 2.96Å; V243-Y268 HydrophobicContact CG1-CE1 4.23Å; L247-Y268 HydrophobicContact CD1-CD1 3.95Å; L247-Y268 HydrophobicContact CD1-CE1 3.91Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.46Å; I265-Y268 WeakPolarHBondContact O-CB 3.41Å; I265-Y268 PolarHBondContact O-N 3.4Å; V266-Y268 VanDerWaalsContact C-N 3.27Å; V266-Y268 PolarHBondContact O-N 3.49Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.18Å; Y268-Q271 WeakPolarHBondContact O-CB 3.39Å; Y268-Q271 PolarHBondContact O-N 3.2Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; Y268-R272 HydrophobicContact CD1-CG 4.24Å; Y268-R272 HydrophobicContact CD2-CG 4.03Å; Y268-R272 HydrophobicContact CE1-CG 3.77Å; Y268-R272 HydrophobicContact CE2-CG 3.51Å; Y268-R272 HydrophobicContact CG-CG 4.38Å; Y268-R272 WeakPolarHBondContact O-CG 3.49Å; Y268-R272 PolarHBondContact O-N 3.44Å |
| 269 | M | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 178.7 | -68.3 | -57 | -160.2 | 0 | 0 | 111 | C244 L247 V248 I265 V266 Q271 R272 T273 A284 F287 W288 | C244-M269 HydrophobicContact CB-CE 4.46Å; C244-M269 HydrophobicContact CB-SD 4.44Å; L247-M269 HydrophobicContact CB-CE 3.36Å; L247-M269 HydrophobicContact CD1-CE 3.72Å; L247-M269 HydrophobicContact CG-CE 4.18Å; V248-M269 HydrophobicContact CG2-CE 4.47Å; I265-M269 HydrophobicContact CG2-CG 4.25Å; I265-M269 WeakPolarHBondContact O-CB 3.35Å; I265-M269 WeakPolarHBondContact O-CG 3.21Å; I265-M269 PolarHBondContact O-N 3.04Å; V266-M269 PolarHBondContact O-N 3.14Å; M269-Q271 PolarHBondContact O-N 2.91Å; M269-R272 CarbonylContact O-C 3.51Å; M269-R272 PolarHBondContact O-N 3.4Å; M269-T273 PolarHBondContact O-N 3.02Å; M269-T273 PolarHBondContact O-OG1 2.83Å; M269-A284 HydrophobicContact SD-CB 4.11Å; M269-F287 HydrophobicContact CB-CD1 3.9Å; M269-F287 HydrophobicContact CB-CE1 4.41Å; M269-F287 HydrophobicContact CB-CG 4.28Å; M269-F287 HydrophobicContact CE-CB 3.98Å; M269-F287 HydrophobicContact CE-CD2 3.66Å; M269-F287 HydrophobicContact CE-CE2 4.36Å; M269-F287 HydrophobicContact CE-CG 3.91Å; M269-F287 HydrophobicContact CG-CB 4.06Å; M269-F287 HydrophobicContact CG-CD1 3.69Å; M269-F287 HydrophobicContact CG-CD2 4.08Å; M269-F287 HydrophobicContact CG-CE1 4.12Å; M269-F287 HydrophobicContact CG-CE2 4.46Å; M269-F287 HydrophobicContact CG-CG 3.67Å; M269-F287 HydrophobicContact CG-CZ 4.49Å; M269-F287 HydrophobicContact SD-CB 4.23Å; M269-F287 HydrophobicContact SD-CG 4.34Å; M269-W288 HydrophobicContact CB-CH2 3.51Å; M269-W288 HydrophobicContact CB-CZ2 3.51Å; M269-W288 HydrophobicContact CB-CZ3 4.4Å |
| 270 | L | 98.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -38.2 | 174.2 | -80.8 | 170.9 | 0 | 0 | 0 | 112.4 | V266 Y268 Q274 W288 H304 K307 L308 | V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.36Å; V266-L270 PolarHBondContact O-N 3.13Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.18Å; L270-Q274 PolarHBondContact O-NE2 2.91Å; L270-W288 HydrophobicContact CB-CZ2 4.46Å; L270-W288 HydrophobicContact CD2-CH2 4.18Å; L270-W288 HydrophobicContact CD2-CZ2 3.98Å; L270-W288 HydrophobicContact CG-CH2 3.83Å; L270-W288 HydrophobicContact CG-CZ2 3.95Å; L270-H304 HydrophobicContact CD1-CB 4.35Å; L270-K307 HydrophobicContact CD1-CB 4.29Å; L270-K307 HydrophobicContact CD1-CD 4.36Å; L270-L308 HydrophobicContact CD2-CB 3.82Å; L270-L308 HydrophobicContact CD2-CD1 3.67Å; L270-L308 HydrophobicContact CD2-CG 4.34Å |
| 271 | Q | 98 | Very high | 97 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.4 | -40.3 | 175.3 | -169.2 | -173 | 15.8 | 0 | 0 | 111.4 | E267 Y268 M269 Q274 | E267-Q271 PolarHBondContact O-N 3.09Å; Y268-Q271 WeakPolarHBondContact O-CB 3.39Å; Y268-Q271 PolarHBondContact O-N 3.2Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; M269-Q271 PolarHBondContact O-N 2.91Å; Q271-Q274 CarbonylContact O-C 3.53Å; Q271-Q274 PolarHBondContact O-N 3.42Å |
| 272 | R | 98.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.9 | -29.9 | -177.3 | -66.7 | -53.5 | 108.4 | -172.3 | 11.6 | 113.7 | R240 Y268 M269 Q274 D275 V280 A281 A284 | R240-R272 VanDerWaalsContact CD-NH1 3.33Å; Y268-R272 HydrophobicContact CD1-CG 4.24Å; Y268-R272 HydrophobicContact CD2-CG 4.03Å; Y268-R272 HydrophobicContact CE1-CG 3.77Å; Y268-R272 HydrophobicContact CE2-CG 3.51Å; Y268-R272 HydrophobicContact CG-CG 4.38Å; Y268-R272 WeakPolarHBondContact O-CG 3.49Å; Y268-R272 PolarHBondContact O-N 3.44Å; M269-R272 CarbonylContact O-C 3.51Å; M269-R272 PolarHBondContact O-N 3.4Å; R272-Q274 PolarHBondContact O-N 3.42Å; R272-D275 IonicContact CZ-OD2 3.25Å; R272-D275 IonicContact NE-OD2 3.12Å; R272-D275 IonicContact NH1-OD2 2.77Å; R272-D275 PolarHBondContact NH1-OD2 3.03Å; R272-D275 WeakPolarHBondContact O-CB 3.38Å; R272-D275 PolarHBondContact O-N 3.21Å; R272-V280 HydrophobicContact CB-CG1 4.4Å; R272-A281 VanDerWaalsContact O-CA 3.26Å; R272-A281 WeakPolarHBondContact O-CA 3.05Å; R272-A284 VanDerWaalsContact C-CB 3.49Å; R272-A284 HydrophobicContact CB-CB 3.44Å; R272-A284 VanDerWaalsContact CB-CB 3.44Å |
| 273 | T | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15 | 170.2 | -51.4 | 0 | 0 | 0 | 0 | 112 | M269 A284 C285 W288 V311 L383 | M269-T273 PolarHBondContact O-N 3.02Å; M269-T273 PolarHBondContact O-OG1 2.83Å; T273-A284 PolarHBondContact OG1-O 3.38Å; T273-C285 HydrophobicContact CG2-CB 3.93Å; T273-W288 PolarHBondContact OG1-NE1 3.47Å; T273-V311 HydrophobicContact CG2-CG1 3.58Å; T273-L383 HydrophobicContact CG2-CD1 4.49Å |
| 274 | Q | 97.7 | Very high | 97.4 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | 22.6 | 173.6 | -60.1 | 172.1 | 91.5 | 0 | 0 | 112.2 | L270 Q271 R272 V311 | L270-Q274 PolarHBondContact O-NE2 2.91Å; Q271-Q274 CarbonylContact O-C 3.53Å; Q271-Q274 PolarHBondContact O-N 3.42Å; R272-Q274 PolarHBondContact O-N 3.42Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.41Å; Q274-V311 HydrophobicContact CG-CG1 3.68Å; Q274-V311 HydrophobicContact CG-CG2 3.94Å; Q274-V311 VanDerWaalsContact NE2-CG2 3.33Å |
| 275 | D | 97.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -63.4 | 155.8 | 176.4 | -153.8 | -63.2 | 0 | 0 | 0 | 110.9 | R240 R272 D277 V280 A281 | R240-D275 IonicContact CZ-OD1 3.9Å; R240-D275 IonicContact CZ-OD2 2.74Å; R240-D275 IonicContact NE-OD1 2.8Å; R240-D275 IonicContact NE-OD2 3.93Å; R240-D275 PolarHBondContact NE-OD2 2.91Å; R240-D275 IonicContact NH2-OD1 2.99Å; R240-D275 PolarHBondContact NH2-OD1 3.5Å; R240-D275 IonicContact NH2-OD2 2.73Å; R240-D275 PolarHBondContact NH2-OD2 3.22Å; R272-D275 IonicContact CZ-OD2 3.25Å; R272-D275 IonicContact NE-OD2 3.12Å; R272-D275 IonicContact NH1-OD2 2.77Å; R272-D275 PolarHBondContact NH1-OD2 3.03Å; R272-D275 WeakPolarHBondContact O-CB 3.38Å; R272-D275 PolarHBondContact O-N 3.21Å; D275-D277 VanDerWaalsContact C-N 3.29Å; D275-D277 PolarHBondContact OD1-N 3.18Å; D275-D277 VanDerWaalsContact OD1-N 3.12Å; D275-V280 HydrophobicContact CB-CB 3.91Å; D275-V280 HydrophobicContact CB-CG1 3.8Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.42Å; D275-A281 HydrophobicContact CB-CB 4.45Å | ||
| 276 | Q | 95.1 | Very high | 97.5 | Very high | 197 Ų | 197 | 44.8 Ų | 44.8 | 92% | 0.921 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -75 | -25.3 | 176.2 | -66.9 | 179.4 | 2.5 | 0 | 0 | 111.7 | ||
| 277 | D | 96 | Very high | 97.5 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -87 | 117.9 | 172.1 | -172.8 | -81.4 | 0 | 0 | 0 | 109.9 | A237 D275 N279 V280 A281 | A237-D277 HydrophobicContact CB-CB 3.76Å; D275-D277 VanDerWaalsContact C-N 3.29Å; D275-D277 PolarHBondContact OD1-N 3.18Å; D275-D277 VanDerWaalsContact OD1-N 3.12Å; D277-N279 VanDerWaalsContact C-N 3.25Å; D277-N279 PolarHBondContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 2.88Å; D277-V280 HydrophobicContact CB-CB 4.22Å; D277-V280 HydrophobicContact CB-CG2 3.83Å; D277-V280 PolarHBondContact O-N 3.26Å; D277-V280 VanDerWaalsContact O-N 3.16Å; D277-V280 PolarHBondContact OD1-N 3.17Å; D277-V280 VanDerWaalsContact OD1-N 3.1Å; D277-A281 PolarHBondContact O-N 3.12Å |
| 278 | E | 93.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -30.7 | -176.2 | -69 | 179.6 | 168.6 | 0 | 0 | 112.8 | A281 L282 | E278-A281 PolarHBondContact O-N 3.43Å; E278-L282 VanDerWaalsContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CB 3.1Å; E278-L282 PolarHBondContact O-N 2.99Å |
| 279 | N | 95.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.3 | -37 | 177.6 | -55.2 | -73.8 | 0 | 0 | 0 | 111.3 | K241 D277 A281 E283 | K241-N279 HydrophobicContact CD-CB 3.68Å; K241-N279 HydrophobicContact CG-CB 4.39Å; D277-N279 VanDerWaalsContact C-N 3.25Å; D277-N279 PolarHBondContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 2.88Å; N279-A281 VanDerWaalsContact C-N 3.33Å; N279-E283 VanDerWaalsContact O-CG 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.41Å; N279-E283 PolarHBondContact O-N 2.69Å; N279-E283 VanDerWaalsContact O-N 3.09Å |
| 280 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | A237 R240 K241 R272 D275 D277 A284 | A237-V280 HydrophobicContact CB-CG2 4.02Å; A237-V280 WeakPolarHBondContact O-CG2 3.17Å; R240-V280 HydrophobicContact CB-CG1 3.83Å; R240-V280 HydrophobicContact CB-CG2 4.09Å; K241-V280 HydrophobicContact CB-CG2 3.96Å; R272-V280 HydrophobicContact CB-CG1 4.4Å; D275-V280 HydrophobicContact CB-CB 3.91Å; D275-V280 HydrophobicContact CB-CG1 3.8Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.42Å; D277-V280 HydrophobicContact CB-CB 4.22Å; D277-V280 HydrophobicContact CB-CG2 3.83Å; D277-V280 PolarHBondContact O-N 3.26Å; D277-V280 VanDerWaalsContact O-N 3.16Å; D277-V280 PolarHBondContact OD1-N 3.17Å; D277-V280 VanDerWaalsContact OD1-N 3.1Å; V280-A284 VanDerWaalsContact O-CB 3.3Å; V280-A284 WeakPolarHBondContact O-CB 3.39Å; V280-A284 PolarHBondContact O-N 3.39Å |
| 281 | A | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R272 D275 D277 E278 N279 A284 C285 L383 | R272-A281 VanDerWaalsContact O-CA 3.26Å; R272-A281 WeakPolarHBondContact O-CA 3.05Å; D275-A281 HydrophobicContact CB-CB 4.45Å; D277-A281 PolarHBondContact O-N 3.12Å; E278-A281 PolarHBondContact O-N 3.43Å; N279-A281 VanDerWaalsContact C-N 3.33Å; A281-A284 PolarHBondContact O-N 2.92Å; A281-C285 WeakPolarHBondContact O-CB 3.47Å; A281-C285 PolarHBondContact O-N 3.3Å; A281-L383 HydrophobicContact CB-CD1 4.27Å; A281-L383 HydrophobicContact CB-CD2 3.81Å |
| 282 | L | 97.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -56.2 | 175.6 | 176.9 | 55.6 | 0 | 0 | 0 | 111.3 | E278 A284 C285 E286 C386 | E278-L282 VanDerWaalsContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CB 3.1Å; E278-L282 PolarHBondContact O-N 2.99Å; L282-A284 PolarHBondContact O-N 3.02Å; L282-A284 VanDerWaalsContact O-N 3.17Å; L282-C285 WeakPolarHBondContact O-CA 3.16Å; L282-C285 VanDerWaalsContact O-CB 3.29Å; L282-C285 WeakPolarHBondContact O-CB 3.25Å; L282-C285 PolarHBondContact O-N 2.75Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.18Å; L282-C386 HydrophobicContact CD1-CB 3.6Å |
| 283 | E | 97.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -28.4 | -179.7 | -66.4 | -81.8 | -171.1 | 0 | 0 | 112.8 | K241 C244 R245 V248 N279 | K241-E283 HydrophobicContact CD-CG 4.48Å; K241-E283 HydrophobicContact CG-CB 4.43Å; K241-E283 HydrophobicContact CG-CG 3.7Å; C244-E283 HydrophobicContact CB-CB 3.87Å; R245-E283 VanDerWaalsContact CB-OE2 3.26Å; R245-E283 WeakPolarHBondContact CB-OE2 3.46Å; R245-E283 VanDerWaalsContact CG-OE2 3.29Å; R245-E283 WeakPolarHBondContact CG-OE2 3.41Å; V248-E283 WeakPolarHBondContact CG2-O 3.21Å; N279-E283 VanDerWaalsContact O-CG 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.41Å; N279-E283 PolarHBondContact O-N 2.69Å; N279-E283 VanDerWaalsContact O-N 3.09Å |
| 284 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.4 | -29.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C244 M269 R272 T273 V280 A281 L282 F287 | C244-A284 HydrophobicContact CB-CB 4.4Å; M269-A284 HydrophobicContact SD-CB 4.11Å; R272-A284 VanDerWaalsContact C-CB 3.49Å; R272-A284 HydrophobicContact CB-CB 3.44Å; R272-A284 VanDerWaalsContact CB-CB 3.44Å; T273-A284 PolarHBondContact OG1-O 3.38Å; V280-A284 VanDerWaalsContact O-CB 3.3Å; V280-A284 WeakPolarHBondContact O-CB 3.39Å; V280-A284 PolarHBondContact O-N 3.39Å; A281-A284 PolarHBondContact O-N 2.92Å; L282-A284 PolarHBondContact O-N 3.02Å; L282-A284 VanDerWaalsContact O-N 3.17Å; A284-F287 VanDerWaalsContact O-CB 3.31Å; A284-F287 WeakPolarHBondContact O-CB 3.43Å |
| 285 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.6 | -36.6 | 176.5 | -159 | 0 | 0 | 0 | 0 | 111.5 | T273 A281 L282 F287 W288 L383 C386 | T273-C285 HydrophobicContact CG2-CB 3.93Å; A281-C285 WeakPolarHBondContact O-CB 3.47Å; A281-C285 PolarHBondContact O-N 3.3Å; L282-C285 WeakPolarHBondContact O-CA 3.16Å; L282-C285 VanDerWaalsContact O-CB 3.29Å; L282-C285 WeakPolarHBondContact O-CB 3.25Å; L282-C285 PolarHBondContact O-N 2.75Å; C285-F287 PolarHBondContact O-N 3.17Å; C285-F287 VanDerWaalsContact O-N 3.1Å; C285-W288 WeakPolarHBondContact O-CB 3.35Å; C285-W288 PolarHBondContact O-N 3.13Å; C285-L383 HydrophobicContact CB-CD1 3.66Å; C285-C386 HydrophobicContact CB-CB 4.48Å; C285-C386 VanDerWaalsContact CB-SG 3.57Å; C285-C386 VanDerWaalsContact SG-SG 3.69Å |
| 286 | E | 97.9 | Very high | 95.7 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.7 | -32.3 | 174.6 | -64.8 | -72.4 | -157.9 | 0 | 0 | 112.7 | V248 L282 W288 L289 T290 W381 | V248-E286 HydrophobicContact CG1-CB 4.29Å; V248-E286 HydrophobicContact CG2-CB 4.16Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.18Å; E286-W288 PolarHBondContact O-N 3.03Å; E286-W288 VanDerWaalsContact O-N 3.14Å; E286-L289 WeakPolarHBondContact O-CB 2.92Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.15Å; E286-L289 WeakPolarHBondContact OE2-CD1 3.49Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 3.27Å; E286-T290 VanDerWaalsContact O-OG1 3.14Å; E286-W381 PolarHBondContact OE1-NE1 3.02Å |
| 287 | F | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.5 | -33.6 | 175.4 | -177.4 | -97.4 | 0 | 0 | 0 | 112.7 | V248 L251 M262 I265 V266 M269 A284 C285 L291 | V248-F287 HydrophobicContact CG2-CB 3.9Å; V248-F287 HydrophobicContact CG2-CD2 4.46Å; L251-F287 HydrophobicContact CD1-CE2 4.4Å; L251-F287 HydrophobicContact CD2-CD2 4.03Å; L251-F287 HydrophobicContact CD2-CE2 3.78Å; L251-F287 HydrophobicContact CD2-CZ 4.28Å; L251-F287 HydrophobicContact CG-CE2 4.47Å; M262-F287 HydrophobicContact SD-CZ 4.08Å; I265-F287 HydrophobicContact CG2-CE2 3.8Å; I265-F287 HydrophobicContact CG2-CZ 3.71Å; V266-F287 HydrophobicContact CG2-CE1 4.21Å; M269-F287 HydrophobicContact CB-CD1 3.9Å; M269-F287 HydrophobicContact CB-CE1 4.41Å; M269-F287 HydrophobicContact CB-CG 4.28Å; M269-F287 HydrophobicContact CE-CB 3.98Å; M269-F287 HydrophobicContact CE-CD2 3.66Å; M269-F287 HydrophobicContact CE-CE2 4.36Å; M269-F287 HydrophobicContact CE-CG 3.91Å; M269-F287 HydrophobicContact CG-CB 4.06Å; M269-F287 HydrophobicContact CG-CD1 3.69Å; M269-F287 HydrophobicContact CG-CD2 4.08Å; M269-F287 HydrophobicContact CG-CE1 4.12Å; M269-F287 HydrophobicContact CG-CE2 4.46Å; M269-F287 HydrophobicContact CG-CG 3.67Å; M269-F287 HydrophobicContact CG-CZ 4.49Å; M269-F287 HydrophobicContact SD-CB 4.23Å; M269-F287 HydrophobicContact SD-CG 4.34Å; A284-F287 VanDerWaalsContact O-CB 3.31Å; A284-F287 WeakPolarHBondContact O-CB 3.43Å; C285-F287 PolarHBondContact O-N 3.17Å; C285-F287 VanDerWaalsContact O-N 3.1Å; F287-L291 HydrophobicContact CD1-CD2 4.43Å; F287-L291 HydrophobicContact CE1-CB 4.45Å; F287-L291 HydrophobicContact CE1-CD2 3.63Å; F287-L291 HydrophobicContact CZ-CD2 4.03Å; F287-L291 WeakPolarHBondContact O-CB 3.31Å; F287-L291 PolarHBondContact O-N 2.93Å |
| 288 | W | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.7 | -40 | 179.9 | -49.5 | 123.2 | 0 | 0 | 0 | 112.2 | V266 M269 L270 T273 C285 E286 A292 L301 L308 L312 A390 | V266-W288 HydrophobicContact CG1-CH2 4.06Å; V266-W288 HydrophobicContact CG1-CZ3 4.08Å; V266-W288 HydrophobicContact CG2-CZ3 4.46Å; M269-W288 HydrophobicContact CB-CH2 3.51Å; M269-W288 HydrophobicContact CB-CZ2 3.51Å; M269-W288 HydrophobicContact CB-CZ3 4.4Å; L270-W288 HydrophobicContact CB-CZ2 4.46Å; L270-W288 HydrophobicContact CD2-CH2 4.18Å; L270-W288 HydrophobicContact CD2-CZ2 3.98Å; L270-W288 HydrophobicContact CG-CH2 3.83Å; L270-W288 HydrophobicContact CG-CZ2 3.95Å; T273-W288 PolarHBondContact OG1-NE1 3.47Å; C285-W288 WeakPolarHBondContact O-CB 3.35Å; C285-W288 PolarHBondContact O-N 3.13Å; E286-W288 PolarHBondContact O-N 3.03Å; E286-W288 VanDerWaalsContact O-N 3.14Å; W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 3.08Å; W288-L301 HydrophobicContact CE3-CD1 4.44Å; W288-L301 HydrophobicContact CE3-CD2 4.15Å; W288-L301 HydrophobicContact CZ3-CD2 3.8Å; W288-L308 HydrophobicContact CD2-CD1 3.58Å; W288-L308 HydrophobicContact CD2-CD2 4.21Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.07Å; W288-L308 HydrophobicContact CE3-CD2 4.01Å; W288-L308 HydrophobicContact CG-CD1 3.95Å; W288-L308 HydrophobicContact CH2-CD1 4.34Å; W288-L308 HydrophobicContact CZ2-CD1 3.85Å; W288-L308 HydrophobicContact CZ3-CD1 4.43Å; W288-L308 HydrophobicContact CZ3-CD2 4.46Å; W288-L312 HydrophobicContact CG-CD2 4.3Å; W288-A390 HydrophobicContact CB-CB 4.04Å |
| 289 | L | 94.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -58 | 172.4 | -84 | 161.6 | 0 | 0 | 0 | 110.1 | E286 L291 A292 E293 W381 A389 A390 V393 | E286-L289 WeakPolarHBondContact O-CB 2.92Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.15Å; E286-L289 WeakPolarHBondContact OE2-CD1 3.49Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.91Å; L289-A292 PolarHBondContact O-N 3.28Å; L289-E293 PolarHBondContact O-N 2.92Å; L289-W381 HydrophobicContact CD1-CH2 4.21Å; L289-W381 HydrophobicContact CD1-CZ2 3.73Å; L289-A389 HydrophobicContact CD1-CB 4.26Å; L289-A389 HydrophobicContact CD2-CB 3.84Å; L289-A390 HydrophobicContact CD2-CB 4.41Å; L289-A390 HydrophobicContact CG-CB 3.97Å; L289-V393 HydrophobicContact CD2-CG2 4.01Å |
| 290 | T | 95.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 7% | 0.074 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -38 | -179.3 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | V248 L251 E252 E286 Q294 | V248-T290 HydrophobicContact CG1-CG2 4.46Å; V248-T290 WeakPolarHBondContact CG1-OG1 3.46Å; L251-T290 HydrophobicContact CB-CG2 4.32Å; L251-T290 HydrophobicContact CD2-CG2 3.95Å; L251-T290 HydrophobicContact CG-CG2 4.33Å; E252-T290 HydrophobicContact CG-CG2 3.49Å; E252-T290 VanDerWaalsContact CG-CG2 3.49Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 3.27Å; E286-T290 VanDerWaalsContact O-OG1 3.14Å; T290-Q294 WeakPolarHBondContact O-CG 3.17Å; T290-Q294 PolarHBondContact O-NE2 3.32Å |
| 291 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.4 | -34 | 177.6 | -176.2 | 56.6 | 0 | 0 | 0 | 112.4 | L251 F287 L289 E293 Q294 I296 C297 V300 L301 | L251-L291 HydrophobicContact CD1-CD1 4.13Å; L251-L291 HydrophobicContact CD2-CB 3.64Å; L251-L291 HydrophobicContact CD2-CD1 4.06Å; L251-L291 HydrophobicContact CD2-CG 4.4Å; F287-L291 HydrophobicContact CD1-CD2 4.43Å; F287-L291 HydrophobicContact CE1-CB 4.45Å; F287-L291 HydrophobicContact CE1-CD2 3.63Å; F287-L291 HydrophobicContact CZ-CD2 4.03Å; F287-L291 WeakPolarHBondContact O-CB 3.31Å; F287-L291 PolarHBondContact O-N 2.93Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.91Å; L291-E293 PolarHBondContact O-N 3.42Å; L291-Q294 HydrophobicContact CD1-CB 4.4Å; L291-Q294 WeakPolarHBondContact O-CB 3.37Å; L291-Q294 PolarHBondContact O-N 2.62Å; L291-I296 HydrophobicContact CD1-CD1 4.42Å; L291-I296 HydrophobicContact CD1-CG1 4.3Å; L291-C297 VanDerWaalsContact O-CB 3.31Å; L291-C297 WeakPolarHBondContact O-CB 3.42Å; L291-V300 HydrophobicContact CD2-CG1 4.16Å; L291-L301 HydrophobicContact CD2-CD1 3.77Å; L291-L301 HydrophobicContact CD2-CD2 3.74Å; L291-L301 HydrophobicContact CD2-CG 3.65Å; L291-L301 HydrophobicContact CG-CD1 4.15Å; L291-L301 HydrophobicContact CG-CG 4.38Å |
| 292 | A | 94.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W288 L289 Q294 V393 L394 V397 | W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 3.08Å; L289-A292 PolarHBondContact O-N 3.28Å; A292-Q294 VanDerWaalsContact C-N 3.28Å; A292-Q294 PolarHBondContact O-N 3.32Å; A292-V393 HydrophobicContact CB-CB 4.13Å; A292-V393 HydrophobicContact CB-CG1 3.51Å; A292-L394 HydrophobicContact CB-CD2 3.95Å; A292-L394 HydrophobicContact CB-CG 4.25Å; A292-V397 WeakPolarHBondContact O-CG2 3.3Å |
| 293 | E | 89.8 | Confident | 95 | Very high | 135 Ų | 135 | 47.8 Ų | 47.8 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.2 | 174.2 | -63.9 | 172.8 | 178.2 | 0 | 0 | 113.6 | L289 L291 | L289-E293 PolarHBondContact O-N 2.92Å; L291-E293 PolarHBondContact O-N 3.42Å |
| 294 | Q | 93.1 | Very high | 95 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82 | 140.4 | -179.4 | -58.3 | -52.8 | -52.5 | 0 | 0 | 112 | L251 M255 T290 L291 A292 I296 C297 | L251-Q294 HydrophobicContact CG-CG 4.39Å; M255-Q294 HydrophobicContact SD-CB 4.21Å; M255-Q294 HydrophobicContact SD-CG 4.16Å; T290-Q294 WeakPolarHBondContact O-CG 3.17Å; T290-Q294 PolarHBondContact O-NE2 3.32Å; L291-Q294 HydrophobicContact CD1-CB 4.4Å; L291-Q294 WeakPolarHBondContact O-CB 3.37Å; L291-Q294 PolarHBondContact O-N 2.62Å; A292-Q294 VanDerWaalsContact C-N 3.28Å; A292-Q294 PolarHBondContact O-N 3.32Å; Q294-I296 HydrophobicContact CB-CG1 4.07Å; Q294-I296 PolarHBondContact O-N 2.92Å; Q294-C297 VanDerWaalsContact O-CB 3.22Å; Q294-C297 WeakPolarHBondContact O-CB 3.46Å; Q294-C297 PolarHBondContact O-N 2.95Å |
| 295 | P | 90.8 | Very high | 94.9 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 79% | 0.792 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.2 | 177.6 | -27 | 34.4 | 0 | 0 | 0 | 115.1 | C297 | P295-C297 VanDerWaalsContact C-N 3.32Š|
| 296 | I | 92.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.1 | -179.8 | 65.6 | 164.9 | 0 | 0 | 0 | 113.7 | M255 L259 M262 L291 Q294 K298 D299 V300 | M255-I296 HydrophobicContact CE-CD1 4.42Å; M255-I296 HydrophobicContact CE-CG2 4.41Å; M255-I296 HydrophobicContact CG-CD1 3.88Å; M255-I296 HydrophobicContact SD-CD1 3.29Å; M255-I296 WeakPolarHBondContact SD-CD1 3.44Å; M255-I296 HydrophobicContact SD-CG1 3.69Å; L259-I296 HydrophobicContact CD2-CD1 3.55Å; L259-I296 HydrophobicContact CG-CD1 4.48Å; M262-I296 HydrophobicContact CE-CD1 4.23Å; L291-I296 HydrophobicContact CD1-CD1 4.42Å; L291-I296 HydrophobicContact CD1-CG1 4.3Å; Q294-I296 HydrophobicContact CB-CG1 4.07Å; Q294-I296 PolarHBondContact O-N 2.92Å; I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.5Å; I296-D299 PolarHBondContact O-N 2.81Å; I296-D299 VanDerWaalsContact O-N 3.11Å; I296-V300 HydrophobicContact CB-CG2 4.33Å; I296-V300 HydrophobicContact CD1-CG2 3.92Å; I296-V300 HydrophobicContact CG1-CG2 4.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.1Å |
| 297 | C | 94.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -46.8 | -51.5 | -173.2 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L291 Q294 P295 D299 V300 L301 V397 Y398 | L291-C297 VanDerWaalsContact O-CB 3.31Å; L291-C297 WeakPolarHBondContact O-CB 3.42Å; Q294-C297 VanDerWaalsContact O-CB 3.22Å; Q294-C297 WeakPolarHBondContact O-CB 3.46Å; Q294-C297 PolarHBondContact O-N 2.95Å; P295-C297 VanDerWaalsContact C-N 3.32Å; C297-D299 PolarHBondContact O-N 2.97Å; C297-V300 PolarHBondContact O-N 3.44Å; C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 PolarHBondContact O-N 3.33Å; C297-V397 HydrophobicContact CB-CG1 4.47Å; C297-Y398 PolarHBondContact O-OH 2.87Å |
| 298 | K | 94 | Very high | 94.9 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 39% | 0.391 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | -178.5 | -70.5 | -165 | 176.6 | -166.9 | 0 | 112.8 | I296 V300 V302 V397 Y398 | I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.5Å; K298-V300 VanDerWaalsContact C-N 3.26Å; K298-V300 PolarHBondContact O-N 3.41Å; K298-V302 VanDerWaalsContact O-CB 3.22Å; K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG1 3.29Å; K298-V302 WeakPolarHBondContact O-CG1 3.3Å; K298-V302 PolarHBondContact O-N 3.47Å; K298-V397 HydrophobicContact CD-CG1 4.39Å; K298-V397 WeakPolarHBondContact CE-O 3.26Å; K298-V397 HydrophobicContact CG-CG1 3.77Å; K298-V397 PolarHBondContact NZ-O 3Å; K298-Y398 WeakPolarHBondContact CA-OH 3.4Å; K298-Y398 HydrophobicContact CB-CE1 4.41Å; K298-Y398 HydrophobicContact CG-CE1 4.03Å |
| 299 | D | 92.1 | Very high | 94.9 | Very high | 142 Ų | 142 | 52.7 Ų | 52.7 | 76% | 0.759 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.9 | -34.5 | -177.2 | -68.7 | -27.3 | 0 | 0 | 0 | 111.9 | I296 C297 | I296-D299 PolarHBondContact O-N 2.81Å; I296-D299 VanDerWaalsContact O-N 3.11Å; C297-D299 PolarHBondContact O-N 2.97Å |
| 300 | V | 94.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.9 | -52.1 | -178 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | M262 V266 L291 I296 C297 K298 H304 | M262-V300 HydrophobicContact CG-CB 4.27Å; M262-V300 HydrophobicContact CG-CG1 3.4Å; M262-V300 HydrophobicContact CG-CG2 3.78Å; M262-V300 HydrophobicContact SD-CG1 4.15Å; V266-V300 HydrophobicContact CG2-CG1 3.72Å; L291-V300 HydrophobicContact CD2-CG1 4.16Å; I296-V300 HydrophobicContact CB-CG2 4.33Å; I296-V300 HydrophobicContact CD1-CG2 3.92Å; I296-V300 HydrophobicContact CG1-CG2 4.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.1Å; C297-V300 PolarHBondContact O-N 3.44Å; K298-V300 VanDerWaalsContact C-N 3.26Å; K298-V300 PolarHBondContact O-N 3.41Å; V300-H304 PolarHBondContact O-CD2 2.72Å |
| 301 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -90.3 | -18.1 | -166.1 | -70.9 | -176.9 | 0 | 0 | 0 | 114.4 | V266 W288 L291 C297 R303 H304 L305 L308 L394 Y398 | V266-L301 HydrophobicContact CG1-CD2 3.93Å; V266-L301 HydrophobicContact CG2-CD2 4.05Å; W288-L301 HydrophobicContact CE3-CD1 4.44Å; W288-L301 HydrophobicContact CE3-CD2 4.15Å; W288-L301 HydrophobicContact CZ3-CD2 3.8Å; L291-L301 HydrophobicContact CD2-CD1 3.77Å; L291-L301 HydrophobicContact CD2-CD2 3.74Å; L291-L301 HydrophobicContact CD2-CG 3.65Å; L291-L301 HydrophobicContact CG-CD1 4.15Å; L291-L301 HydrophobicContact CG-CG 4.38Å; C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 PolarHBondContact O-N 3.33Å; L301-R303 PolarHBondContact O-N 2.87Å; L301-H304 CarbonylContact O-C 3.59Å; L301-H304 WeakPolarHBondContact O-CA 3.44Å; L301-H304 PolarHBondContact O-N 2.83Å; L301-L305 PolarHBondContact O-N 2.99Å; L301-L308 HydrophobicContact CD1-CD2 4.07Å; L301-L308 HydrophobicContact CD2-CD2 4.29Å; L301-L394 HydrophobicContact CD1-CD2 4.1Å; L301-Y398 VanDerWaalsContact CB-OH 3.24Å; L301-Y398 WeakPolarHBondContact CB-OH 3.36Å |
| 302 | V | 94 | Very high | 95.3 | Very high | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -37.4 | -175.2 | 65 | 0 | 0 | 0 | 0 | 113.8 | K298 H304 Y398 | K298-V302 VanDerWaalsContact O-CB 3.22Å; K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG1 3.29Å; K298-V302 WeakPolarHBondContact O-CG1 3.3Å; K298-V302 PolarHBondContact O-N 3.47Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-Y398 HydrophobicContact CB-CE1 4.42Å; V302-Y398 PolarHBondContact N-OH 3.37Å |
| 303 | R | 94.7 | Very high | 95.5 | Very high | 219 Ų | 219 | 54.1 Ų | 54.1 | 83% | 0.826 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.3 | 179 | -62.2 | -174.9 | -176.8 | 174.7 | 3.1 | 113.8 | L301 | L301-R303 PolarHBondContact O-N 2.87Š|
| 304 | H | 97 | Very high | 95.8 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -15.7 | -177.9 | -64.5 | -85.7 | 0 | 0 | 0 | 112.7 | H263 V266 E267 L270 V300 L301 V302 P306 K307 L308 | H263-H304 AromaticContact CE1-CE1 3.24Å; H263-H304 PolarHBondContact CE1-CE1 2.62Å; H263-H304 AromaticContact CE1-NE2 3.4Å; H263-H304 PolarHBondContact CE1-NE2 2.99Å; H263-H304 AromaticContact ND1-CE1 3.18Å; H263-H304 PolarHBondContact ND1-CE1 3.29Å; H263-H304 AromaticContact ND1-NE2 2.93Å; H263-H304 PolarHBondContact ND1-NE2 3.42Å; V266-H304 HydrophobicContact CG1-CB 3.99Å; E267-H304 IonicContact OE1-CE1 3.47Å; E267-H304 PolarHBondContact OE1-CE1 3.35Å; E267-H304 IonicContact OE1-ND1 2.86Å; E267-H304 PolarHBondContact OE1-ND1 2.95Å; L270-H304 HydrophobicContact CD1-CB 4.35Å; V300-H304 PolarHBondContact O-CD2 2.72Å; L301-H304 CarbonylContact O-C 3.59Å; L301-H304 WeakPolarHBondContact O-CA 3.44Å; L301-H304 PolarHBondContact O-N 2.83Å; V302-H304 VanDerWaalsContact C-N 3.33Å; H304-P306 VanDerWaalsContact C-N 3.3Å; H304-P306 VanDerWaalsContact O-N 3.16Å; H304-K307 WeakPolarHBondContact O-CA 3.45Å; H304-K307 PolarHBondContact O-N 2.91Å; H304-L308 PolarHBondContact O-N 2.74Å |
| 305 | L | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -45.9 | -44.2 | 176.5 | -62.4 | 179.8 | 0 | 0 | 0 | 114 | L301 K307 L308 I309 Y398 L402 | L301-L305 PolarHBondContact O-N 2.99Å; L305-K307 PolarHBondContact O-N 3.13Å; L305-K307 VanDerWaalsContact O-N 3.1Å; L305-L308 PolarHBondContact O-N 3.35Å; L305-I309 HydrophobicContact CB-CG1 4.44Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 3.26Å; L305-Y398 HydrophobicContact CD1-CD1 3.83Å; L305-Y398 HydrophobicContact CD1-CE1 3.72Å; L305-Y398 HydrophobicContact CD1-CG 4.25Å; L305-Y398 HydrophobicContact CD2-CD2 4.35Å; L305-Y398 HydrophobicContact CD2-CE2 3.95Å; L305-Y398 HydrophobicContact CG-CE1 4.47Å; L305-L402 HydrophobicContact CD1-CD1 4.16Å; L305-L402 HydrophobicContact CD2-CD1 4Å |
| 306 | P | 97.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -22.9 | 178.8 | -21.2 | 31.7 | 0 | 0 | 0 | 114.5 | H304 P310 | H304-P306 VanDerWaalsContact C-N 3.3Å; H304-P306 VanDerWaalsContact O-N 3.16Å; P306-P310 WeakPolarHBondContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CG 3.23Å |
| 307 | K | 97.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -96.5 | -40.8 | 175.2 | -63.5 | -179.6 | -177.3 | 174.2 | 0 | 112 | E267 L270 H304 L305 P310 V311 | E267-K307 IonicContact OE1-NZ 2.66Å; E267-K307 PolarHBondContact OE1-NZ 2.9Å; E267-K307 IonicContact OE2-NZ 3.48Å; E267-K307 PolarHBondContact OE2-NZ 3.14Å; L270-K307 HydrophobicContact CD1-CB 4.29Å; L270-K307 HydrophobicContact CD1-CD 4.36Å; H304-K307 WeakPolarHBondContact O-CA 3.45Å; H304-K307 PolarHBondContact O-N 2.91Å; L305-K307 PolarHBondContact O-N 3.13Å; L305-K307 VanDerWaalsContact O-N 3.1Å; K307-P310 WeakPolarHBondContact O-CD 3.38Å; K307-V311 WeakPolarHBondContact O-CG2 3.48Å |
| 308 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -46.2 | -175.5 | 178.5 | 56.8 | 0 | 0 | 0 | 112.1 | L270 W288 L301 H304 L305 V311 L312 L394 | L270-L308 HydrophobicContact CD2-CB 3.82Å; L270-L308 HydrophobicContact CD2-CD1 3.67Å; L270-L308 HydrophobicContact CD2-CG 4.34Å; W288-L308 HydrophobicContact CD2-CD1 3.58Å; W288-L308 HydrophobicContact CD2-CD2 4.21Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.07Å; W288-L308 HydrophobicContact CE3-CD2 4.01Å; W288-L308 HydrophobicContact CG-CD1 3.95Å; W288-L308 HydrophobicContact CH2-CD1 4.34Å; W288-L308 HydrophobicContact CZ2-CD1 3.85Å; W288-L308 HydrophobicContact CZ3-CD1 4.43Å; W288-L308 HydrophobicContact CZ3-CD2 4.46Å; L301-L308 HydrophobicContact CD1-CD2 4.07Å; L301-L308 HydrophobicContact CD2-CD2 4.29Å; H304-L308 PolarHBondContact O-N 2.74Å; L305-L308 PolarHBondContact O-N 3.35Å; L308-V311 WeakPolarHBondContact O-CA 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.37Å; L308-V311 PolarHBondContact O-N 2.77Å; L308-L312 HydrophobicContact CD1-CD1 4.13Å; L308-L312 HydrophobicContact CD1-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.24Å; L308-L312 PolarHBondContact O-N 3.15Å; L308-L394 HydrophobicContact CD2-CD1 4.09Å |
| 309 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | -175.2 | -63 | -59.6 | 0 | 0 | 0 | 112.1 | L305 V311 L312 V313 L391 L402 H405 I406 L409 | L305-I309 HydrophobicContact CB-CG1 4.44Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 3.26Å; I309-V311 PolarHBondContact O-N 2.73Å; I309-L312 PolarHBondContact O-N 3.25Å; I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 VanDerWaalsContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CB 3.34Å; I309-V313 WeakPolarHBondContact O-CG2 3.24Å; I309-V313 PolarHBondContact O-N 3.25Å; I309-L391 HydrophobicContact CD1-CD1 3.79Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CD1-CD2 4.3Å; I309-L402 HydrophobicContact CD1-CG 4.1Å; I309-L402 HydrophobicContact CG1-CD1 4.06Å; I309-H405 HydrophobicContact CB-CB 4.21Å; I309-H405 HydrophobicContact CG1-CB 4.09Å; I309-H405 HydrophobicContact CG2-CB 4.26Å; I309-I406 HydrophobicContact CG2-CD1 4.43Å; I309-I406 HydrophobicContact CG2-CG1 3.51Å; I309-L409 HydrophobicContact CG2-CD1 4.03Å |
| 310 | P | 98.2 | Very high | 96.3 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.4 | -32.5 | 171.5 | -26.7 | 33.3 | 0 | 0 | 0 | 114.8 | P306 K307 N314 L409 | P306-P310 WeakPolarHBondContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CG 3.23Å; K307-P310 WeakPolarHBondContact O-CD 3.38Å; P310-N314 VanDerWaalsContact O-CB 3.3Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 2.71Å; P310-L409 HydrophobicContact CB-CD1 4.35Å; P310-L409 HydrophobicContact CG-CD1 4.13Å |
| 311 | V | 98.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71 | -50.2 | 179.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | T273 Q274 K307 L308 I309 N314 G315 | T273-V311 HydrophobicContact CG2-CG1 3.58Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.41Å; Q274-V311 HydrophobicContact CG-CG1 3.68Å; Q274-V311 HydrophobicContact CG-CG2 3.94Å; Q274-V311 VanDerWaalsContact NE2-CG2 3.33Å; K307-V311 WeakPolarHBondContact O-CG2 3.48Å; L308-V311 WeakPolarHBondContact O-CA 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.37Å; L308-V311 PolarHBondContact O-N 2.77Å; I309-V311 PolarHBondContact O-N 2.73Å; V311-N314 PolarHBondContact O-N 2.9Å; V311-G315 PolarHBondContact O-N 3.1Å |
| 312 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 176.6 | -64.8 | 178.8 | 0 | 0 | 0 | 111 | W288 L308 I309 N314 G315 M316 S387 A390 L394 | W288-L312 HydrophobicContact CG-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CD1 4.13Å; L308-L312 HydrophobicContact CD1-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.24Å; L308-L312 PolarHBondContact O-N 3.15Å; I309-L312 PolarHBondContact O-N 3.25Å; L312-N314 PolarHBondContact O-N 2.93Å; L312-G315 WeakPolarHBondContact O-CA 3.28Å; L312-G315 PolarHBondContact O-N 3.26Å; L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.44Å; L312-M316 PolarHBondContact O-N 3.15Å; L312-S387 WeakPolarHBondContact O-CB 3.45Å; L312-A390 HydrophobicContact CD1-CB 4.25Å; L312-A390 HydrophobicContact CD2-CB 4.04Å; L312-L394 HydrophobicContact CD1-CD1 3.61Å |
| 313 | V | 98.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -35.4 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 112 | I309 L391 L409 L413 V428 | I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 VanDerWaalsContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CB 3.34Å; I309-V313 WeakPolarHBondContact O-CG2 3.24Å; I309-V313 PolarHBondContact O-N 3.25Å; V313-L391 HydrophobicContact CG2-CD2 4.36Å; V313-L409 HydrophobicContact CB-CD1 4.23Å; V313-L409 HydrophobicContact CG1-CD1 4.28Å; V313-L409 HydrophobicContact CG2-CD1 4.03Å; V313-L413 HydrophobicContact CG1-CD1 3.45Å; V313-L413 VanDerWaalsContact CG1-CD1 3.45Å; V313-V428 HydrophobicContact CB-CG2 4.41Å; V313-V428 HydrophobicContact CG1-CG2 4.13Å; V313-V428 HydrophobicContact CG2-CG1 4.43Å; V313-V428 HydrophobicContact CG2-CG2 3.92Å |
| 314 | N | 97.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.7 | -36 | 174.8 | -173.3 | 72.8 | 0 | 0 | 0 | 112.9 | P310 V311 L312 M316 K317 | P310-N314 VanDerWaalsContact O-CB 3.3Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 2.71Å; V311-N314 PolarHBondContact O-N 2.9Å; L312-N314 PolarHBondContact O-N 2.93Å; N314-M316 PolarHBondContact O-N 3.22Å; N314-K317 PolarHBondContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-NZ 2.72Å |
| 315 | G | 97.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -22 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | V311 L312 K317 R384 | V311-G315 PolarHBondContact O-N 3.1Å; L312-G315 WeakPolarHBondContact O-CA 3.28Å; L312-G315 PolarHBondContact O-N 3.26Å; G315-K317 PolarHBondContact O-N 2.85Å; G315-R384 VanDerWaalsContact O-CA 3.25Å; G315-R384 WeakPolarHBondContact O-CA 3.28Å |
| 316 | M | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 1.9 | 176 | -68.5 | 169.4 | 76.7 | 0 | 0 | 114.4 | L312 N314 R384 A388 L391 L427 V428 A431 | L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.44Å; L312-M316 PolarHBondContact O-N 3.15Å; N314-M316 PolarHBondContact O-N 3.22Å; M316-R384 PolarHBondContact O-NH1 2.91Å; M316-A388 HydrophobicContact CE-CB 3.8Å; M316-A388 HydrophobicContact CG-CB 4.25Å; M316-L391 HydrophobicContact CE-CD2 4.18Å; M316-L391 HydrophobicContact SD-CB 4.35Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.17Å; M316-L427 HydrophobicContact CE-CD1 4.49Å; M316-L427 HydrophobicContact CE-CD2 3.72Å; M316-L427 HydrophobicContact CE-CG 3.45Å; M316-L427 VanDerWaalsContact CE-CG 3.45Å; M316-L427 HydrophobicContact CG-CD2 4.45Å; M316-V428 HydrophobicContact CE-CB 4.32Å; M316-V428 HydrophobicContact CE-CG2 3.64Å; M316-V428 HydrophobicContact SD-CG2 3.63Å; M316-A431 HydrophobicContact CE-CB 4.17Å |
| 317 | K | 96.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -82.5 | 142.2 | 173.9 | -68.7 | 169.3 | -172.9 | 164.7 | 0 | 110.2 | N314 G315 S319 V420 | N314-K317 PolarHBondContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-NZ 2.72Å; G315-K317 PolarHBondContact O-N 2.85Å; K317-S319 PolarHBondContact O-N 3.23Å; K317-V420 HydrophobicContact CB-CG1 4.11Å |
| 318 | Y | 93.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 134.8 | 170.2 | -76.7 | -63.7 | 0 | 0 | 0 | 111.4 | D322 I323 L326 R384 W419 E423 L461 | Y318-D322 HydrophobicContact CD1-CB 3.74Å; Y318-I323 HydrophobicContact CG-CG1 4.47Å; Y318-L326 HydrophobicContact CD1-CD1 3.93Å; Y318-L326 HydrophobicContact CE1-CD1 3.36Å; Y318-R384 VanDerWaalsContact CD1-CD 3.48Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.26Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.4Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.32Å; Y318-R384 PolarHBondContact OH-NH2 3.36Å; Y318-W419 HydrophobicContact CD2-CH2 4.39Å; Y318-W419 HydrophobicContact CD2-CZ3 4.2Å; Y318-E423 HydrophobicContact CE2-CG 4.27Å; Y318-L461 HydrophobicContact CE2-CD1 4.21Å |
| 319 | S | 91.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 163.1 | 165.4 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | K317 I321 D322 I323 | K317-S319 PolarHBondContact O-N 3.23Å; S319-I321 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact OG-N 3.12Å; S319-D322 WeakPolarHBondContact CB-OD2 3.41Å; S319-D322 PolarHBondContact N-OD2 3.35Å; S319-D322 PolarHBondContact O-N 3Å; S319-D322 WeakPolarHBondContact OG-CB 3.03Å; S319-D322 PolarHBondContact OG-N 2.83Å; S319-D322 PolarHBondContact OG-OD2 3.01Å; S319-I323 WeakPolarHBondContact O-CG1 3.32Å; S319-I323 PolarHBondContact O-N 2.68Å; S319-I323 VanDerWaalsContact O-N 3.07Å |
| 320 | D | 90.8 | Very high | 91 | Very high | 132 Ų | 132 | 51.9 Ų | 51.9 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.7 | -33 | 174.1 | -70.8 | -28.9 | 0 | 0 | 0 | 111.6 | I324 | D320-I324 WeakPolarHBondContact O-CD1 3.12Å; D320-I324 VanDerWaalsContact O-CG1 3.24Å; D320-I324 WeakPolarHBondContact O-CG1 3.49Å; D320-I324 PolarHBondContact O-N 3.44Å; D320-I324 VanDerWaalsContact O-N 3.11Å |
| 321 | I | 88.9 | Confident | 90.6 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 52% | 0.518 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 177.4 | -63.4 | 173.1 | 0 | 0 | 0 | 109.9 | S319 I323 I324 L325 | S319-I321 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact OG-N 3.12Å; I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 PolarHBondContact O-N 3.08Å; I321-I324 PolarHBondContact O-N 2.92Å; I321-I324 VanDerWaalsContact O-N 3.16Å; I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.31Å; I321-L325 WeakPolarHBondContact O-CG 3.44Å; I321-L325 PolarHBondContact O-N 3.09Å |
| 322 | D | 89.5 | Confident | 90.3 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 175.9 | -63.3 | -40.4 | 0 | 0 | 0 | 110.6 | Y318 S319 I324 L325 L326 I378 N382 | Y318-D322 HydrophobicContact CD1-CB 3.74Å; S319-D322 WeakPolarHBondContact CB-OD2 3.41Å; S319-D322 PolarHBondContact N-OD2 3.35Å; S319-D322 PolarHBondContact O-N 3Å; S319-D322 WeakPolarHBondContact OG-CB 3.03Å; S319-D322 PolarHBondContact OG-N 2.83Å; S319-D322 PolarHBondContact OG-OD2 3.01Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.38Å; D322-L325 PolarHBondContact O-N 3.05Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 WeakPolarHBondContact O-CG 3.22Å; D322-L326 PolarHBondContact O-N 2.87Å; D322-I378 HydrophobicContact CB-CD1 3.52Å; D322-N382 PolarHBondContact OD1-ND2 3.03Å |
| 323 | I | 90.3 | Very high | 90 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -40.5 | 179 | -64.9 | 167.7 | 0 | 0 | 0 | 111 | Y318 S319 I321 K327 G328 W419 V420 | Y318-I323 HydrophobicContact CG-CG1 4.47Å; S319-I323 WeakPolarHBondContact O-CG1 3.32Å; S319-I323 PolarHBondContact O-N 2.68Å; S319-I323 VanDerWaalsContact O-N 3.07Å; I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 PolarHBondContact O-N 3.08Å; I323-K327 PolarHBondContact O-N 2.92Å; I323-G328 PolarHBondContact O-N 3.03Å; I323-W419 HydrophobicContact CD1-CH2 4.04Å; I323-W419 HydrophobicContact CD1-CZ2 3.88Å; I323-W419 HydrophobicContact CG1-CH2 4.09Å; I323-W419 HydrophobicContact CG1-CZ2 4.3Å; I323-V420 HydrophobicContact CD1-CG2 4.06Å |
| 324 | I | 88 | Confident | 89.5 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 65% | 0.651 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.4 | -46.9 | 178 | -69.5 | 164.4 | 0 | 0 | 0 | 111 | D320 I321 D322 L326 K327 | D320-I324 WeakPolarHBondContact O-CD1 3.12Å; D320-I324 VanDerWaalsContact O-CG1 3.24Å; D320-I324 WeakPolarHBondContact O-CG1 3.49Å; D320-I324 PolarHBondContact O-N 3.44Å; D320-I324 VanDerWaalsContact O-N 3.11Å; I321-I324 PolarHBondContact O-N 2.92Å; I321-I324 VanDerWaalsContact O-N 3.16Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.38Å; I324-L326 VanDerWaalsContact C-N 3.32Å; I324-L326 PolarHBondContact O-N 3.13Å; I324-K327 PolarHBondContact O-N 2.92Å; I324-K327 VanDerWaalsContact O-N 3.09Å |
| 325 | L | 85.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | -179.7 | -69.4 | 174.8 | 0 | 0 | 0 | 111.7 | I321 D322 K327 I378 | I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.31Å; I321-L325 WeakPolarHBondContact O-CG 3.44Å; I321-L325 PolarHBondContact O-N 3.09Å; D322-L325 PolarHBondContact O-N 3.05Å; L325-K327 PolarHBondContact O-N 3.46Å; L325-I378 HydrophobicContact CB-CG1 4.01Å |
| 326 | L | 83.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -9 | 176.3 | -66.5 | 171.3 | 0 | 0 | 0 | 114.4 | Y318 D322 I324 G328 D375 I378 L461 R503 | Y318-L326 HydrophobicContact CD1-CD1 3.93Å; Y318-L326 HydrophobicContact CE1-CD1 3.36Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 WeakPolarHBondContact O-CG 3.22Å; D322-L326 PolarHBondContact O-N 2.87Å; I324-L326 VanDerWaalsContact C-N 3.32Å; I324-L326 PolarHBondContact O-N 3.13Å; L326-G328 PolarHBondContact O-N 3Å; L326-D375 WeakPolarHBondContact CD2-OD1 3.49Å; L326-D375 VanDerWaalsContact CD2-OD2 3.31Å; L326-D375 WeakPolarHBondContact CD2-OD2 3.32Å; L326-I378 HydrophobicContact CD1-CD1 3.53Å; L326-I378 HydrophobicContact CD1-CG1 4.4Å; L326-I378 HydrophobicContact CD2-CB 4.48Å; L326-I378 HydrophobicContact CD2-CD1 3.67Å; L326-I378 HydrophobicContact CD2-CG1 3.65Å; L326-I378 HydrophobicContact CG-CD1 3.39Å; L326-I378 HydrophobicContact CG-CG1 3.73Å; L326-L461 HydrophobicContact CD1-CD2 4.39Å; L326-R503 PolarHBondContact O-NH1 3.32Å |
| 327 | K | 79.9 | Confident | 88.3 | Confident | 126 Ų | 126 | 71.4 Ų | 71.4 | 55% | 0.548 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.5 | -163.9 | -52.2 | 171.1 | -175.7 | 158 | 0 | 110.7 | I323 I324 L325 D329 V330 | I323-K327 PolarHBondContact O-N 2.92Å; I324-K327 PolarHBondContact O-N 2.92Å; I324-K327 VanDerWaalsContact O-N 3.09Å; L325-K327 PolarHBondContact O-N 3.46Å; K327-D329 PolarHBondContact O-N 3.4Å; K327-V330 HydrophobicContact CB-CB 4.31Å; K327-V330 HydrophobicContact CB-CG2 3.75Å; K327-V330 VanDerWaalsContact O-CB 3.29Å; K327-V330 WeakPolarHBondContact O-CB 3.31Å; K327-V330 WeakPolarHBondContact O-CG2 3.24Å; K327-V330 PolarHBondContact O-N 3.16Å |
| 328 | G | 77.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | I323 L326 | I323-G328 PolarHBondContact O-N 3.03Å; L326-G328 PolarHBondContact O-N 3Å |
| 329 | D | 81.9 | Confident | 87.1 | Confident | 132 Ų | 132 | 71 Ų | 71 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.7 | 168.5 | -74.5 | -32.8 | 0 | 0 | 0 | 113.9 | K327 E331 | K327-D329 PolarHBondContact O-N 3.4Å; D329-E331 PolarHBondContact O-N 2.9Å |
| 330 | V | 86.5 | Confident | 86.2 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | trans | -83.8 | 100.2 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | K327 D333 N501 | K327-V330 HydrophobicContact CB-CB 4.31Å; K327-V330 HydrophobicContact CB-CG2 3.75Å; K327-V330 VanDerWaalsContact O-CB 3.29Å; K327-V330 WeakPolarHBondContact O-CB 3.31Å; K327-V330 WeakPolarHBondContact O-CG2 3.24Å; K327-V330 PolarHBondContact O-N 3.16Å; V330-D333 HydrophobicContact CG1-CB 3.69Å; V330-N501 PolarHBondContact O-ND2 3.5Å | ||
| 331 | E | 91.3 | Very high | 85.2 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | trans | -89.2 | -17 | 178.5 | -53.8 | -60.4 | 164.3 | 0 | 0 | 113.3 | D329 K459 A460 N501 | D329-E331 PolarHBondContact O-N 2.9Å; E331-K459 WeakPolarHBondContact OE1-CD 3.46Å; E331-K459 WeakPolarHBondContact OE1-CE 3.47Å; E331-K459 IonicContact OE1-NZ 3.5Å; E331-K459 PolarHBondContact OE1-NZ 3.48Å; E331-K459 WeakPolarHBondContact OE2-CA 3.34Å; E331-A460 WeakPolarHBondContact OE2-CB 3.35Å; E331-A460 PolarHBondContact OE2-N 3Å; E331-N501 WeakPolarHBondContact O-CB 3.18Å | ||
| 332 | E | 90.9 | Very high | 84.3 | Confident | 147 Ų | 147 | 79 Ų | 79 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | trans | -141.5 | 114.4 | -177.8 | -57.3 | -176.9 | -174.3 | 0 | 0 | 109.9 | S500 | E332-S500 WeakPolarHBondContact CA-O 3.36Š| ||
| 333 | D | 91.8 | Very high | 83.2 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 17% | 0.171 | 42% | 0.42 | C | S | . | . | trans | -142.7 | 7.9 | 178.7 | 62.5 | -8.8 | 0 | 0 | 0 | 113.8 | V330 T335 I336 S500 N501 K502 | V330-D333 HydrophobicContact CG1-CB 3.69Å; D333-T335 PolarHBondContact O-N 3.48Å; D333-I336 HydrophobicContact CB-CB 4.4Å; D333-I336 HydrophobicContact CB-CD1 3.77Å; D333-I336 HydrophobicContact CB-CG1 4.16Å; D333-I336 WeakPolarHBondContact O-CB 3.21Å; D333-I336 PolarHBondContact O-N 3.04Å; D333-S500 PolarHBondContact N-O 3.42Å; D333-N501 VanDerWaalsContact OD1-CA 3.3Å; D333-N501 WeakPolarHBondContact OD1-CA 3.39Å; D333-K502 WeakPolarHBondContact O-CE 3.45Å; D333-K502 WeakPolarHBondContact OD1-CG 3.25Å; D333-K502 PolarHBondContact OD1-N 2.99Å | ||
| 334 | E | 89.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 24% | 0.243 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -28.3 | -178.4 | 60.8 | 169 | 125 | 0 | 0 | 115.1 | S500 K540 Q542 | E334-S500 WeakPolarHBondContact CB-O 3.33Å; E334-S500 PolarHBondContact N-O 2.89Å; E334-K540 IonicContact OE1-NZ 3.95Å; E334-K540 PolarHBondContact OE1-NZ 2.89Å; E334-K540 WeakPolarHBondContact OE2-CE 3.49Å; E334-K540 VanDerWaalsContact OE2-CG 3.29Å; E334-K540 WeakPolarHBondContact OE2-CG 3.21Å; E334-K540 IonicContact OE2-NZ 2.9Å; E334-K540 PolarHBondContact OE2-NZ 3.14Å; E334-Q542 PolarHBondContact O-NE2 3.34Å |
| 335 | T | 89.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 83.8 Ų | 83.8 | 71% | 0.712 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.9 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | D333 P337 | D333-T335 PolarHBondContact O-N 3.48Å; T335-P337 WeakPolarHBondContact O-CD 3.49Å |
| 336 | I | 88.9 | Confident | 79.8 | Confident | 91 Ų | 91 | 84 Ų | 84 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -78.7 | 126.3 | 176.8 | -56.1 | -175.8 | 0 | 0 | 0 | 106.4 | D333 K502 Q542 | D333-I336 HydrophobicContact CB-CB 4.4Å; D333-I336 HydrophobicContact CB-CD1 3.77Å; D333-I336 HydrophobicContact CB-CG1 4.16Å; D333-I336 WeakPolarHBondContact O-CB 3.21Å; D333-I336 PolarHBondContact O-N 3.04Å; I336-K502 WeakPolarHBondContact O-CE 3.11Å; I336-K502 PolarHBondContact O-NZ 2.91Å; I336-Q542 WeakPolarHBondContact O-CG 3.42Å |
| 337 | P | 87.2 | Confident | 79 | Confident | 96 Ų | 96 | 90.4 Ų | 90.4 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 151.6 | 173.9 | -24.4 | 35.5 | 0 | 0 | 0 | 112.1 | T335 | T335-P337 WeakPolarHBondContact O-CD 3.49Š|
| 338 | D | 85.1 | Confident | 78.2 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.5 | 173.3 | -60.7 | -38.2 | 0 | 0 | 0 | 111 | I343 K502 Q542 H543 K544 | D338-I343 HydrophobicContact CB-CD1 4.24Å; D338-I343 HydrophobicContact CB-CG1 4.37Å; D338-K502 IonicContact OD1-NZ 2.72Å; D338-K502 PolarHBondContact OD1-NZ 3.2Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.44Å; D338-H543 WeakPolarHBondContact OD2-CA 3.45Å; D338-H543 WeakPolarHBondContact OD2-CB 3.43Å; D338-H543 PolarHBondContact OD2-N 3.14Å; D338-K544 PolarHBondContact OD2-N 3.07Å |
| 339 | S | 79.9 | Confident | 77.3 | Confident | 50 Ų | 50 | 92.3 Ų | 92.3 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 140.3 | 171.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | Q341 D342 | S339-Q341 PolarHBondContact O-N 3.47Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 2.86Å; S339-D342 VanDerWaalsContact CB-OD2 3.22Å; S339-D342 WeakPolarHBondContact CB-OD2 3.36Å; S339-D342 PolarHBondContact O-N 2.97Å |
| 340 | E | 73.1 | Confident | 75.9 | Confident | 180 Ų | 180 | 87.8 Ų | 87.8 | 84% | 0.841 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -56.1 | -26.7 | 172.4 | -69.1 | 179.9 | 179.2 | 0 | 0 | 112.7 | D342 | E340-D342 VanDerWaalsContact C-N 3.34Š|
| 341 | Q | 70.1 | Confident | 74.4 | Confident | 179 Ų | 179 | 89.8 Ų | 89.8 | 84% | 0.836 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -75.8 | -22 | 177.3 | -63.2 | 178.1 | -3 | 0 | 0 | 113.3 | S339 I343 | S339-Q341 PolarHBondContact O-N 3.47Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 2.86Å; Q341-I343 VanDerWaalsContact C-N 3.33Å |
| 342 | D | 69 | Low | 72.7 | Confident | 64 Ų | 64 | 89.2 Ų | 89.2 | 34% | 0.342 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -91.2 | -2 | -178.9 | -55.8 | -19.3 | 0 | 0 | 0 | 111 | S339 E340 | S339-D342 VanDerWaalsContact CB-OD2 3.22Å; S339-D342 WeakPolarHBondContact CB-OD2 3.36Å; S339-D342 PolarHBondContact O-N 2.97Å; E340-D342 VanDerWaalsContact C-N 3.34Å |
| 343 | I | 68 | Low | 71 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -99.2 | 105.2 | -179.5 | -63.6 | 158.5 | 0 | 0 | 0 | 108.6 | D338 Q341 H543 | D338-I343 HydrophobicContact CB-CD1 4.24Å; D338-I343 HydrophobicContact CB-CG1 4.37Å; Q341-I343 VanDerWaalsContact C-N 3.33Å; I343-H543 HydrophobicContact CD1-CB 4.48Å; I343-H543 WeakPolarHBondContact CD1-ND1 3.41Å |
| 344 | R | 65.7 | Low | 69 | Low | 114 Ų | 114 | 84.4 Ų | 84.4 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 140.8 | 175.6 | -67.5 | -171.4 | -172.4 | -163.3 | 2.3 | 110.8 | R346 D373 D376 | R344-R346 PolarHBondContact O-N 2.7Å; R344-D373 IonicContact CZ-OD2 3.63Å; R344-D373 IonicContact NH1-OD2 3.56Å; R344-D373 PolarHBondContact NH1-OD2 3.28Å; R344-D373 PolarHBondContact NH2-O 3.34Å; R344-D373 IonicContact NH2-OD1 2.82Å; R344-D373 IonicContact NH2-OD2 3.59Å; R344-D373 PolarHBondContact NH2-OD2 3.35Å; R344-D376 IonicContact CZ-OD1 3.92Å; R344-D376 IonicContact NE-OD1 2.82Å; R344-D376 PolarHBondContact NE-OD1 3.07Å; R344-D376 IonicContact NH2-OD1 3.47Å; R344-D376 PolarHBondContact NH2-OD1 2.91Å |
| 345 | P | 62.3 | Low | 66.9 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 67% | 0.669 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 124.6 | 167.3 | -18.2 | 30.1 | 0 | 0 | 0 | 109.9 | F347 | P345-F347 HydrophobicContact CB-CE2 4.37Š|
| 346 | R | 64.4 | Low | 64.3 | Low | 89 Ų | 89 | 85.8 Ų | 85.8 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 142.6 | 174.9 | -67.7 | -155.2 | 76.9 | 168.5 | 2.9 | 112.3 | R344 L547 P593 | R344-R346 PolarHBondContact O-N 2.7Å; R346-L547 HydrophobicContact CG-CD1 4.4Å; R346-P593 VanDerWaalsContact NH1-CG 3.29Å |
| 347 | F | 66.5 | Low | 61.8 | Low | 140 Ų | 140 | 85.5 Ų | 85.5 | 61% | 0.614 | 42% | 0.421 | S | S | * | . | trans | -120.5 | 150 | 169.4 | -57.3 | -84 | 0 | 0 | 0 | 107.6 | P345 | P345-F347 HydrophobicContact CB-CE2 4.37Š| ||
| 348 | H | 63.2 | Low | 59.3 | Low | 19 Ų | 19 | 85.8 Ų | 85.8 | 9% | 0.088 | 41% | 0.414 | C | S | . | . | trans | -75.2 | 143 | 178.1 | 167.1 | 57.9 | 0 | 0 | 0 | 111.6 | F592 E596 D647 I650 V651 D654 | H348-F592 HydrophobicContact CB-CD2 4.46Å; H348-E596 IonicContact CE1-OE1 2.76Å; H348-E596 IonicContact CG-OE1 3.22Å; H348-E596 IonicContact ND1-OE1 3.41Å; H348-E596 PolarHBondContact ND1-OE1 3.31Å; H348-D647 HydrophobicContact CB-CB 3.79Å; H348-D647 PolarHBondContact N-OD2 3.18Å; H348-D647 VanDerWaalsContact N-OD2 3.13Å; H348-I650 WeakPolarHBondContact CD2-CG2 3.41Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.34Å; H348-V651 HydrophobicContact CB-CG1 3.95Å; H348-V651 VanDerWaalsContact CE1-CG1 3.44Å; H348-V651 WeakPolarHBondContact CE1-CG1 3.1Å; H348-V651 WeakPolarHBondContact ND1-CG1 3.38Å; H348-D654 IonicContact CE1-OD2 3.4Å; H348-D654 IonicContact NE2-OD2 2.67Å | ||
| 349 | R | 57.7 | Low | 56.5 | Low | 156 Ų | 156 | 90.6 Ų | 90.6 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | trans | -105.6 | 119.9 | 169.4 | -69 | -173 | 176 | 172.4 | -1.2 | 109.9 | D367 D370 | R349-D367 IonicContact CZ-OD2 2.63Å; R349-D367 IonicContact NE-OD2 3.26Å; R349-D370 IonicContact CZ-OD2 3.3Å; R349-D370 IonicContact NH1-OD2 2.56Å; R349-D370 IonicContact NH2-OD2 2.92Å; R349-D370 PolarHBondContact NH2-OD2 3.28Å | ||
| 350 | S | 53.5 | Low | 54.1 | Low | 37 Ų | 37 | 95.2 Ų | 95.2 | 26% | 0.259 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 138 | -172.2 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | E690 | S350-E690 WeakPolarHBondContact OG-CB 3.28Š|
| 351 | R | 55.8 | Low | 52 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 131.5 | -178.9 | -175.1 | 172.5 | 158.9 | 173.6 | -9.5 | 112.7 | E661 Q693 | R351-E661 IonicContact NH2-OE2 2.68Å; R351-Q693 PolarHBondContact O-NE2 2.9Å |
| 352 | T | 55 | Low | 49.9 | Very low | 31 Ų | 31 | 88.4 Ų | 88.4 | 19% | 0.19 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 137.9 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | A354 N734 | T352-A354 PolarHBondContact O-N 3.18Å; T352-A354 VanDerWaalsContact O-N 3.08Å; T352-N734 HydrophobicContact CG2-CB 4.38Å; T352-N734 WeakPolarHBondContact CG2-ND2 3.3Å |
| 353 | V | 54.1 | Low | 48.1 | Very low | 31 Ų | 31 | 91.1 Ų | 91.1 | 19% | 0.188 | 46% | 0.456 | C | S | . | . | trans | -77.2 | 96.7 | 170.9 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | A697 N734 N735 W738 N778 | V353-A697 HydrophobicContact CG2-CB 3.73Å; V353-N734 PolarHBondContact O-ND2 3.35Å; V353-N734 VanDerWaalsContact O-ND2 3.1Å; V353-N735 WeakPolarHBondContact CB-OD1 3.19Å; V353-N735 PolarHBondContact N-OD1 2.8Å; V353-W738 HydrophobicContact CG1-CD2 4.15Å; V353-W738 HydrophobicContact CG1-CG 4.3Å; V353-W738 HydrophobicContact CG1-CZ2 4.4Å; V353-N778 PolarHBondContact O-ND2 3.01Å | ||
| 354 | A | 51.2 | Low | 46.2 | Very low | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | trans | -102.2 | 154.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T352 T774 | T352-A354 PolarHBondContact O-N 3.18Å; T352-A354 VanDerWaalsContact O-N 3.08Å; A354-T774 HydrophobicContact CB-CG2 4.21Å | ||
| 355 | Q | 45.5 | Very low | 44.5 | Very low | 35 Ų | 35 | 97.5 Ų | 97.5 | 16% | 0.164 | 49% | 0.49 | C | S | . | . | trans | -67.4 | 140.1 | 169.1 | -67.2 | -178 | 19.5 | 0 | 0 | 109 | H357 I812 N815 | Q355-H357 PolarHBondContact O-CD2 3.08Å; Q355-H357 PolarHBondContact O-N 3.19Å; Q355-I812 VanDerWaalsContact OE1-CG2 3.28Å; Q355-N815 PolarHBondContact OE1-ND2 3.4Å | ||
| 356 | Q | 34.4 | Very low | 42.9 | Very low | 163 Ų | 163 | 100.6 Ų | 100.6 | 76% | 0.762 | 50% | 0.501 | S | S | * | . | trans | -58.3 | 104.4 | 170 | -69.8 | 177.7 | -12.8 | 0 | 0 | 109.1 | ||||
| 357 | H | 36.9 | Very low | 41.3 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | trans | -98.2 | 140.5 | 170.7 | -72.9 | -77.1 | 0 | 0 | 0 | 109 | Q355 E777 | Q355-H357 PolarHBondContact O-CD2 3.08Å; Q355-H357 PolarHBondContact O-N 3.19Å; H357-E777 IonicContact CE1-OE2 2.72Å; H357-E777 IonicContact NE2-OE2 2.65Å | ||
| 358 | E | 33.9 | Very low | 39.6 | Very low | 101 Ų | 101 | 100.2 Ų | 100.2 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -101.8 | 4.4 | 165.7 | -96.3 | 178.6 | 170.5 | 0 | 0 | 111.7 | R813 | E358-R813 IonicContact OE2-CZ 3.52Å; E358-R813 IonicContact OE2-NH1 3.36Å; E358-R813 PolarHBondContact OE2-NH1 3.38Å; E358-R813 IonicContact OE2-NH2 3.43Å; E358-R813 PolarHBondContact OE2-NH2 3.45Å |
| 359 | E | 26.2 | Very low | 38 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -149.8 | 127.8 | -179.5 | -75.7 | 176.7 | 153.7 | 0 | 0 | 112.3 | R813 | E359-R813 IonicContact OE2-NH2 2.65Š|
| 360 | D | 29.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 102.4 Ų | 102.4 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | trans | 59.9 | 105.7 | 157.1 | -62.5 | -31.2 | 0 | 0 | 0 | 119.9 | ||||
| 361 | G | 29.4 | Very low | 36.2 | Very low | 66 Ų | 66 | 104.6 Ų | 104.6 | 68% | 0.68 | 54% | 0.542 | S | S | * | . | 138.5 | 96.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 362 | I | 26.5 | Very low | 35.3 | Very low | 150 Ų | 150 | 103.2 Ų | 103.2 | 77% | 0.769 | 54% | 0.541 | S | S | * | . | trans | 30.5 | 96.8 | 132.9 | -50.2 | 169 | 0 | 0 | 0 | 113.5 | E364 | I362-E364 HydrophobicContact CG2-CG 4.21Å; I362-E364 PolarHBondContact O-N 2.92Å | ||
| 363 | E | 30.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | trans | -71.4 | 109 | 153.5 | -68.3 | -168.3 | 157.1 | 0 | 0 | 106.7 | E365 | E363-E365 PolarHBondContact O-N 3.25Š| ||
| 364 | E | 27.8 | Very low | 34.3 | Very low | 186 Ų | 186 | 105.6 Ų | 105.6 | 87% | 0.869 | 55% | 0.551 | S | S | * | * | trans | -70 | 68.8 | 161.2 | -68.8 | 178.8 | -178.6 | 0 | 0 | 107.9 | I362 | I362-E364 HydrophobicContact CG2-CG 4.21Å; I362-E364 PolarHBondContact O-N 2.92Å | ||
| 365 | E | 30.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | trans | -107.9 | 126.6 | 150.7 | -70.8 | -169.2 | 179 | 0 | 0 | 105.1 | E363 D367 | E363-E365 PolarHBondContact O-N 3.25Å; E365-D367 PolarHBondContact O-N 3.41Å | ||
| 366 | D | 29.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 104.8 Ų | 104.8 | 90% | 0.898 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -61.7 | 57.2 | -174.5 | -64 | -56.6 | 0 | 0 | 0 | 113.1 | ||
| 367 | D | 31.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | trans | -117.8 | 8.1 | -179.5 | -94.4 | 6.2 | 0 | 0 | 0 | 112.4 | R349 E365 D369 | R349-D367 IonicContact CZ-OD2 2.63Å; R349-D367 IonicContact NE-OD2 3.26Å; E365-D367 PolarHBondContact O-N 3.41Å; D367-D369 PolarHBondContact O-N 3.06Å | ||
| 368 | D | 30 | Very low | 36.5 | Very low | 133 Ų | 133 | 95.6 Ų | 95.6 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -72.7 | 1.2 | 175.3 | -82.8 | -19.1 | 0 | 0 | 0 | 114.2 | D370 | D368-D370 VanDerWaalsContact C-N 3.33Š|
| 369 | D | 30.5 | Very low | 37.7 | Very low | 153 Ų | 153 | 94.6 Ų | 94.6 | 82% | 0.818 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -82.9 | -5.3 | 176.2 | -83.6 | -19.2 | 0 | 0 | 0 | 113.7 | D367 | D367-D369 PolarHBondContact O-N 3.06Š|
| 370 | D | 34.1 | Very low | 40.2 | Very low | 68 Ų | 68 | 94.1 Ų | 94.1 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -83.9 | -17.2 | -178.4 | -80.2 | -19.2 | 0 | 0 | 0 | 114.4 | R349 D368 I372 D373 | R349-D370 IonicContact CZ-OD2 3.3Å; R349-D370 IonicContact NH1-OD2 2.56Å; R349-D370 IonicContact NH2-OD2 2.92Å; R349-D370 PolarHBondContact NH2-OD2 3.28Å; D368-D370 VanDerWaalsContact C-N 3.33Å; D370-I372 VanDerWaalsContact C-N 3.27Å; D370-I372 PolarHBondContact O-N 3.47Å; D370-D373 PolarHBondContact O-N 3.44Å |
| 371 | E | 37.8 | Very low | 43.1 | Very low | 83 Ų | 83 | 92.4 Ų | 92.4 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.2 | -172.2 | -81.3 | -163.3 | -176 | 0 | 0 | 115 | W468 R472 | E371-W468 PolarHBondContact O-NE1 2.85Å; E371-W468 VanDerWaalsContact O-NE1 3.12Å; E371-R472 IonicContact OE1-NH1 3.54Å; E371-R472 IonicContact OE2-CZ 2.76Å; E371-R472 IonicContact OE2-NE 3.55Å; E371-R472 IonicContact OE2-NH1 3.95Å; E371-R472 PolarHBondContact OE2-NH1 3.19Å |
| 372 | I | 38.4 | Very low | 46.1 | Very low | 67 Ų | 67 | 90.3 Ų | 90.3 | 34% | 0.344 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -8.9 | 173.7 | -55.6 | 178.1 | 0 | 0 | 0 | 111.1 | D370 D374 K385 | D370-I372 VanDerWaalsContact C-N 3.27Å; D370-I372 PolarHBondContact O-N 3.47Å; I372-D374 PolarHBondContact O-N 2.92Å; I372-K385 HydrophobicContact CG2-CG 4.3Å |
| 373 | D | 41.7 | Very low | 49.4 | Very low | 44 Ų | 44 | 85 Ų | 85 | 24% | 0.235 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.6 | -168.9 | -156.5 | 40.5 | 0 | 0 | 0 | 115.4 | R344 D370 D375 | R344-D373 IonicContact CZ-OD2 3.63Å; R344-D373 IonicContact NH1-OD2 3.56Å; R344-D373 PolarHBondContact NH1-OD2 3.28Å; R344-D373 PolarHBondContact NH2-O 3.34Å; R344-D373 IonicContact NH2-OD1 2.82Å; R344-D373 IonicContact NH2-OD2 3.59Å; R344-D373 PolarHBondContact NH2-OD2 3.35Å; D370-D373 PolarHBondContact O-N 3.44Å; D373-D375 PolarHBondContact O-N 3.37Å |
| 374 | D | 46.5 | Very low | 52.5 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -4.1 | 177.6 | -79.8 | -9.5 | 0 | 0 | 0 | 114.3 | I372 D376 | I372-D374 PolarHBondContact O-N 2.92Å; D374-D376 PolarHBondContact O-N 3.07Å |
| 375 | D | 52.2 | Low | 55.6 | Low | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | trans | -92.3 | 59 | -176.5 | -136.1 | 8.1 | 0 | 0 | 0 | 113.4 | L326 D373 T377 I378 R503 | L326-D375 WeakPolarHBondContact CD2-OD1 3.49Å; L326-D375 VanDerWaalsContact CD2-OD2 3.31Å; L326-D375 WeakPolarHBondContact CD2-OD2 3.32Å; D373-D375 PolarHBondContact O-N 3.37Å; D375-T377 PolarHBondContact O-N 3.08Å; D375-I378 CarbonylContact O-C 3.6Å; D375-I378 WeakPolarHBondContact O-CA 3.2Å; D375-I378 PolarHBondContact O-N 3.17Å; D375-I378 VanDerWaalsContact O-O 3.06Å; D375-R503 IonicContact OD1-CZ 3.94Å; D375-R503 VanDerWaalsContact OD1-CZ 3.26Å; D375-R503 IonicContact OD1-NE 2.85Å; D375-R503 PolarHBondContact OD1-NE 2.67Å; D375-R503 IonicContact OD1-NH2 2.66Å; D375-R503 PolarHBondContact OD1-NH2 2.76Å | ||
| 376 | D | 51.7 | Low | 58.8 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -49.7 | -26.7 | -175.9 | -78.8 | -32.6 | 0 | 0 | 0 | 115.9 | R344 D374 K544 | R344-D376 IonicContact CZ-OD1 3.92Å; R344-D376 IonicContact NE-OD1 2.82Å; R344-D376 PolarHBondContact NE-OD1 3.07Å; R344-D376 IonicContact NH2-OD1 3.47Å; R344-D376 PolarHBondContact NH2-OD1 2.91Å; D374-D376 PolarHBondContact O-N 3.07Å; D376-K544 WeakPolarHBondContact OD2-CE 3.39Å; D376-K544 IonicContact OD2-NZ 3.53Å; D376-K544 PolarHBondContact OD2-NZ 3.3Å |
| 377 | T | 53.4 | Low | 62.1 | Low | 48 Ų | 48 | 58.6 Ų | 58.6 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -82.3 | -19.8 | 179 | 11.5 | 0 | 0 | 0 | 0 | 113.2 | D375 R503 | D375-T377 PolarHBondContact O-N 3.08Å; T377-R503 PolarHBondContact OG1-NH2 2.93Å |
| 378 | I | 55.1 | Low | 65.2 | Low | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -118.2 | 70.7 | 165 | -54.3 | 173.2 | 0 | 0 | 0 | 107.2 | D322 L325 L326 D375 D380 K385 | D322-I378 HydrophobicContact CB-CD1 3.52Å; L325-I378 HydrophobicContact CB-CG1 4.01Å; L326-I378 HydrophobicContact CD1-CD1 3.53Å; L326-I378 HydrophobicContact CD1-CG1 4.4Å; L326-I378 HydrophobicContact CD2-CB 4.48Å; L326-I378 HydrophobicContact CD2-CD1 3.67Å; L326-I378 HydrophobicContact CD2-CG1 3.65Å; L326-I378 HydrophobicContact CG-CD1 3.39Å; L326-I378 HydrophobicContact CG-CG1 3.73Å; D375-I378 CarbonylContact O-C 3.6Å; D375-I378 WeakPolarHBondContact O-CA 3.2Å; D375-I378 PolarHBondContact O-N 3.17Å; D375-I378 VanDerWaalsContact O-O 3.06Å; I378-D380 PolarHBondContact O-N 3.38Å; I378-K385 PolarHBondContact O-NZ 2.86Å |
| 379 | S | 60.9 | Low | 68.4 | Low | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | trans | -62.9 | -25 | 173.1 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 380 | D | 78.1 | Confident | 71.6 | Confident | 125 Ų | 125 | 41.8 Ų | 41.8 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -74.2 | 137.5 | -176.1 | -66 | -25.4 | 0 | 0 | 0 | 112.3 | I378 N382 | I378-D380 PolarHBondContact O-N 3.38Å; D380-N382 PolarHBondContact O-N 3.21Å |
| 381 | W | 89.5 | Confident | 74.6 | Confident | 112 Ų | 112 | 38.5 Ų | 38.5 | 42% | 0.424 | 20% | 0.203 | S | C | . | . | trans | -63.3 | 124.3 | 170.1 | -178 | -112.4 | 0 | 0 | 0 | 110.7 | E286 L289 K385 C386 A389 | E286-W381 PolarHBondContact OE1-NE1 3.02Å; L289-W381 HydrophobicContact CD1-CH2 4.21Å; L289-W381 HydrophobicContact CD1-CZ2 3.73Å; W381-K385 HydrophobicContact CE3-CB 3.82Å; W381-K385 HydrophobicContact CE3-CD 4.36Å; W381-K385 HydrophobicContact CH2-CB 4.47Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; W381-C386 HydrophobicContact CH2-CB 4.3Å; W381-C386 VanDerWaalsContact CZ2-CA 3.4Å; W381-C386 HydrophobicContact CZ2-CB 3.52Å; W381-A389 HydrophobicContact CH2-CB 3.95Å | ||
| 382 | N | 92.7 | Very high | 77.5 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | trans | -133.7 | 173.1 | -173.2 | 71.8 | 11.2 | 0 | 0 | 0 | 112.5 | D322 D380 R384 K385 C386 | D322-N382 PolarHBondContact OD1-ND2 3.03Å; D380-N382 PolarHBondContact O-N 3.21Å; N382-R384 PolarHBondContact O-N 3.34Å; N382-R384 PolarHBondContact OD1-N 3.49Å; N382-K385 PolarHBondContact O-N 2.74Å; N382-K385 WeakPolarHBondContact OD1-CG 3.34Å; N382-K385 PolarHBondContact OD1-N 3.03Å; N382-C386 WeakPolarHBondContact O-CB 3.34Å; N382-C386 PolarHBondContact O-N 2.64Å | ||
| 383 | L | 95.4 | Very high | 80.3 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 19% | 0.194 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -34 | -177 | -179.8 | 61.4 | 0 | 0 | 0 | 112.8 | T273 A281 C285 S387 | T273-L383 HydrophobicContact CG2-CD1 4.49Å; A281-L383 HydrophobicContact CB-CD1 4.27Å; A281-L383 HydrophobicContact CB-CD2 3.81Å; C285-L383 HydrophobicContact CB-CD1 3.66Å; L383-S387 VanDerWaalsContact O-CB 3.24Å; L383-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 PolarHBondContact O-N 3.41Å; L383-S387 PolarHBondContact O-OG 3.32Å |
| 384 | R | 95.8 | Very high | 82.9 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -52.5 | 178.6 | 171.7 | 177.3 | 168.1 | 110.2 | -7.6 | 111.7 | G315 M316 Y318 N382 S387 A388 E423 L427 | G315-R384 VanDerWaalsContact O-CA 3.25Å; G315-R384 WeakPolarHBondContact O-CA 3.28Å; M316-R384 PolarHBondContact O-NH1 2.91Å; Y318-R384 VanDerWaalsContact CD1-CD 3.48Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.26Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.4Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.32Å; Y318-R384 PolarHBondContact OH-NH2 3.36Å; N382-R384 PolarHBondContact O-N 3.34Å; N382-R384 PolarHBondContact OD1-N 3.49Å; R384-S387 PolarHBondContact O-N 2.94Å; R384-A388 WeakPolarHBondContact O-CB 3.37Å; R384-A388 PolarHBondContact O-N 2.8Å; R384-E423 IonicContact CZ-OE1 2.7Å; R384-E423 IonicContact CZ-OE2 3.79Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3.48Å; R384-E423 IonicContact NH1-OE2 2.8Å; R384-E423 PolarHBondContact NH1-OE2 2.8Å; R384-E423 IonicContact NH2-OE1 3.96Å; R384-E423 PolarHBondContact NH2-OE1 3.44Å; R384-E423 IonicContact NH2-OE2 2.76Å; R384-E423 PolarHBondContact NH2-OE2 3.45Å; R384-L427 HydrophobicContact CG-CD2 4.44Å |
| 385 | K | 94 | Very high | 85.4 | Confident | 17 Ų | 17 | 29.4 Ų | 29.4 | 7% | 0.074 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.1 | -72.1 | -179.4 | 171.7 | -175.9 | 0 | 110.5 | I372 I378 W381 N382 S387 A388 A389 | I372-K385 HydrophobicContact CG2-CG 4.3Å; I378-K385 PolarHBondContact O-NZ 2.86Å; W381-K385 HydrophobicContact CE3-CB 3.82Å; W381-K385 HydrophobicContact CE3-CD 4.36Å; W381-K385 HydrophobicContact CH2-CB 4.47Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; N382-K385 PolarHBondContact O-N 2.74Å; N382-K385 WeakPolarHBondContact OD1-CG 3.34Å; N382-K385 PolarHBondContact OD1-N 3.03Å; K385-S387 PolarHBondContact O-N 2.92Å; K385-A388 PolarHBondContact O-N 3.44Å; K385-A389 WeakPolarHBondContact O-CB 3.31Å; K385-A389 PolarHBondContact O-N 3.07Å |
| 386 | C | 96.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 177.5 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | L282 C285 W381 N382 A388 A390 | L282-C386 HydrophobicContact CD1-CB 3.6Å; C285-C386 HydrophobicContact CB-CB 4.48Å; C285-C386 VanDerWaalsContact CB-SG 3.57Å; C285-C386 VanDerWaalsContact SG-SG 3.69Å; W381-C386 HydrophobicContact CH2-CB 4.3Å; W381-C386 VanDerWaalsContact CZ2-CA 3.4Å; W381-C386 HydrophobicContact CZ2-CB 3.52Å; N382-C386 WeakPolarHBondContact O-CB 3.34Å; N382-C386 PolarHBondContact O-N 2.64Å; C386-A388 PolarHBondContact O-N 3.49Å; C386-A390 VanDerWaalsContact O-CB 3.23Å; C386-A390 WeakPolarHBondContact O-CB 3.39Å; C386-A390 PolarHBondContact O-N 3.19Å |
| 387 | S | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | L312 L383 R384 K385 L391 | L312-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 VanDerWaalsContact O-CB 3.24Å; L383-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 PolarHBondContact O-N 3.41Å; L383-S387 PolarHBondContact O-OG 3.32Å; R384-S387 PolarHBondContact O-N 2.94Å; K385-S387 PolarHBondContact O-N 2.92Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 2.92Å; S387-L391 VanDerWaalsContact O-N 3.07Å |
| 388 | A | 97.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M316 R384 K385 C386 A390 L391 D392 L427 | M316-A388 HydrophobicContact CE-CB 3.8Å; M316-A388 HydrophobicContact CG-CB 4.25Å; R384-A388 WeakPolarHBondContact O-CB 3.37Å; R384-A388 PolarHBondContact O-N 2.8Å; K385-A388 PolarHBondContact O-N 3.44Å; C386-A388 PolarHBondContact O-N 3.49Å; A388-A390 PolarHBondContact O-N 3.37Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-L391 VanDerWaalsContact O-N 3.14Å; A388-D392 PolarHBondContact O-N 2.85Å; A388-L427 HydrophobicContact CB-CD1 4.4Å; A388-L427 HydrophobicContact CB-CD2 4.13Å; A388-L427 HydrophobicContact CB-CG 4.41Å |
| 389 | A | 96.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L289 W381 K385 L391 D392 V393 | L289-A389 HydrophobicContact CD1-CB 4.26Å; L289-A389 HydrophobicContact CD2-CB 3.84Å; W381-A389 HydrophobicContact CH2-CB 3.95Å; K385-A389 WeakPolarHBondContact O-CB 3.31Å; K385-A389 PolarHBondContact O-N 3.07Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.19Å; A389-D392 PolarHBondContact O-N 3.12Å; A389-V393 WeakPolarHBondContact O-CG2 3.36Å; A389-V393 PolarHBondContact O-N 3.47Å |
| 390 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W288 L289 L312 C386 A388 L394 | W288-A390 HydrophobicContact CB-CB 4.04Å; L289-A390 HydrophobicContact CD2-CB 4.41Å; L289-A390 HydrophobicContact CG-CB 3.97Å; L312-A390 HydrophobicContact CD1-CB 4.25Å; L312-A390 HydrophobicContact CD2-CB 4.04Å; C386-A390 VanDerWaalsContact O-CB 3.23Å; C386-A390 WeakPolarHBondContact O-CB 3.39Å; C386-A390 PolarHBondContact O-N 3.19Å; A388-A390 PolarHBondContact O-N 3.37Å; A390-L394 VanDerWaalsContact O-CB 3.32Å; A390-L394 WeakPolarHBondContact O-CB 3.29Å; A390-L394 WeakPolarHBondContact O-CD1 3.34Å; A390-L394 WeakPolarHBondContact O-CG 3.18Å; A390-L394 PolarHBondContact O-N 3.29Å |
| 391 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 178.5 | -174.7 | 61.9 | 0 | 0 | 0 | 112.2 | I309 V313 M316 S387 A388 A389 L394 A395 L402 I406 V428 I432 | I309-L391 HydrophobicContact CD1-CD1 3.79Å; V313-L391 HydrophobicContact CG2-CD2 4.36Å; M316-L391 HydrophobicContact CE-CD2 4.18Å; M316-L391 HydrophobicContact SD-CB 4.35Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 2.92Å; S387-L391 VanDerWaalsContact O-N 3.07Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-L391 VanDerWaalsContact O-N 3.14Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.19Å; L391-L394 PolarHBondContact O-N 3.1Å; L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 3.18Å; L391-L402 HydrophobicContact CD1-CD2 4.12Å; L391-I406 HydrophobicContact CD1-CD1 3.93Å; L391-V428 HydrophobicContact CD2-CB 4.45Å; L391-V428 HydrophobicContact CD2-CG1 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.18Å; L391-I432 HydrophobicContact CD2-CG2 4.19Å; L391-I432 HydrophobicContact CG-CG2 4.15Å |
| 392 | D | 97.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -54.1 | 176.6 | -169.3 | -21.1 | 0 | 0 | 0 | 111.5 | A388 A389 L394 A395 N396 A431 | A388-D392 PolarHBondContact O-N 2.85Å; A389-D392 PolarHBondContact O-N 3.12Å; D392-L394 VanDerWaalsContact C-N 3.26Å; D392-L394 PolarHBondContact O-N 3.47Å; D392-A395 WeakPolarHBondContact O-CA 3.3Å; D392-A395 VanDerWaalsContact O-CB 3.31Å; D392-A395 WeakPolarHBondContact O-CB 3.39Å; D392-A395 PolarHBondContact O-N 3.08Å; D392-N396 PolarHBondContact O-N 3.04Å; D392-N396 PolarHBondContact O-ND2 2.87Å; D392-N396 PolarHBondContact OD1-ND2 3.12Å; D392-N396 VanDerWaalsContact OD1-ND2 3.13Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.36Å; D392-A431 HydrophobicContact CB-CB 4.48Å |
| 393 | V | 97.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 26.4 Ų | 26.4 | 26% | 0.255 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 177.4 | -176 | 0 | 0 | 0 | 0 | 110.6 | L289 A292 A389 A395 N396 V397 | L289-V393 HydrophobicContact CD2-CG2 4.01Å; A292-V393 HydrophobicContact CB-CB 4.13Å; A292-V393 HydrophobicContact CB-CG1 3.51Å; A389-V393 WeakPolarHBondContact O-CG2 3.36Å; A389-V393 PolarHBondContact O-N 3.47Å; V393-A395 PolarHBondContact O-N 3.04Å; V393-N396 WeakPolarHBondContact O-CB 3.19Å; V393-N396 PolarHBondContact O-N 2.87Å; V393-V397 WeakPolarHBondContact O-CG2 3.3Å; V393-V397 PolarHBondContact O-N 3.02Å |
| 394 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 175.2 | -72.9 | 171.2 | 0 | 0 | 0 | 112.9 | A292 L301 L308 L312 A390 L391 D392 N396 V397 Y398 L402 | A292-L394 HydrophobicContact CB-CD2 3.95Å; A292-L394 HydrophobicContact CB-CG 4.25Å; L301-L394 HydrophobicContact CD1-CD2 4.1Å; L308-L394 HydrophobicContact CD2-CD1 4.09Å; L312-L394 HydrophobicContact CD1-CD1 3.61Å; A390-L394 VanDerWaalsContact O-CB 3.32Å; A390-L394 WeakPolarHBondContact O-CB 3.29Å; A390-L394 WeakPolarHBondContact O-CD1 3.34Å; A390-L394 WeakPolarHBondContact O-CG 3.18Å; A390-L394 PolarHBondContact O-N 3.29Å; L391-L394 PolarHBondContact O-N 3.1Å; D392-L394 VanDerWaalsContact C-N 3.26Å; D392-L394 PolarHBondContact O-N 3.47Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.2Å; L394-V397 PolarHBondContact O-N 3.39Å; L394-Y398 HydrophobicContact CD2-CD2 4.09Å; L394-Y398 HydrophobicContact CD2-CE2 3.73Å; L394-Y398 WeakPolarHBondContact O-CD2 3.45Å; L394-Y398 PolarHBondContact O-N 3.19Å; L394-L402 HydrophobicContact CB-CD2 4.36Å |
| 395 | A | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L391 D392 V393 R399 L402 I432 G435 | L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 3.18Å; D392-A395 WeakPolarHBondContact O-CA 3.3Å; D392-A395 VanDerWaalsContact O-CB 3.31Å; D392-A395 WeakPolarHBondContact O-CB 3.39Å; D392-A395 PolarHBondContact O-N 3.08Å; V393-A395 PolarHBondContact O-N 3.04Å; A395-R399 WeakPolarHBondContact O-CA 3.47Å; A395-R399 PolarHBondContact O-N 3.02Å; A395-L402 HydrophobicContact CB-CD2 4.14Å; A395-I432 HydrophobicContact CB-CB 4.18Å; A395-I432 HydrophobicContact CB-CG2 4.21Å; A395-G435 CarbonylContact O-C 3.57Å; A395-G435 WeakPolarHBondContact O-CA 3.25Å |
| 396 | N | 95.8 | Very high | 96.9 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 21% | 0.214 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.8 | -33.8 | 175.1 | -84.8 | -59.2 | 0 | 0 | 0 | 113.4 | D392 V393 L394 R399 | D392-N396 PolarHBondContact O-N 3.04Å; D392-N396 PolarHBondContact O-ND2 2.87Å; D392-N396 PolarHBondContact OD1-ND2 3.12Å; D392-N396 VanDerWaalsContact OD1-ND2 3.13Å; V393-N396 WeakPolarHBondContact O-CB 3.19Å; V393-N396 PolarHBondContact O-N 2.87Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.2Å; N396-R399 WeakPolarHBondContact O-CD 3.32Å; N396-R399 PolarHBondContact O-NE 2.96Å; N396-R399 PolarHBondContact O-NH2 3.27Å; N396-R399 PolarHBondContact OD1-NH1 3.15Å |
| 397 | V | 96 | Very high | 96.9 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -54.5 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | A292 C297 K298 V393 L394 | A292-V397 WeakPolarHBondContact O-CG2 3.3Å; C297-V397 HydrophobicContact CB-CG1 4.47Å; K298-V397 HydrophobicContact CD-CG1 4.39Å; K298-V397 WeakPolarHBondContact CE-O 3.26Å; K298-V397 HydrophobicContact CG-CG1 3.77Å; K298-V397 PolarHBondContact NZ-O 3Å; V393-V397 WeakPolarHBondContact O-CG2 3.3Å; V393-V397 PolarHBondContact O-N 3.02Å; L394-V397 PolarHBondContact O-N 3.39Å |
| 398 | Y | 96.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -87.2 | -19.9 | -171.4 | -73.9 | -82.9 | 0 | 0 | 0 | 113.9 | C297 K298 L301 V302 L305 L394 E401 L402 | C297-Y398 PolarHBondContact O-OH 2.87Å; K298-Y398 WeakPolarHBondContact CA-OH 3.4Å; K298-Y398 HydrophobicContact CB-CE1 4.41Å; K298-Y398 HydrophobicContact CG-CE1 4.03Å; L301-Y398 VanDerWaalsContact CB-OH 3.24Å; L301-Y398 WeakPolarHBondContact CB-OH 3.36Å; V302-Y398 HydrophobicContact CB-CE1 4.42Å; V302-Y398 PolarHBondContact N-OH 3.37Å; L305-Y398 HydrophobicContact CD1-CD1 3.83Å; L305-Y398 HydrophobicContact CD1-CE1 3.72Å; L305-Y398 HydrophobicContact CD1-CG 4.25Å; L305-Y398 HydrophobicContact CD2-CD2 4.35Å; L305-Y398 HydrophobicContact CD2-CE2 3.95Å; L305-Y398 HydrophobicContact CG-CE1 4.47Å; L394-Y398 HydrophobicContact CD2-CD2 4.09Å; L394-Y398 HydrophobicContact CD2-CE2 3.73Å; L394-Y398 WeakPolarHBondContact O-CD2 3.45Å; L394-Y398 PolarHBondContact O-N 3.19Å; Y398-E401 WeakPolarHBondContact O-CB 3.37Å; Y398-E401 PolarHBondContact O-N 3.16Å; Y398-L402 HydrophobicContact CD2-CD1 4.32Å; Y398-L402 HydrophobicContact CG-CD1 4.31Å |
| 399 | R | 96.1 | Very high | 96.8 | Very high | 126 Ų | 126 | 36.3 Ų | 36.3 | 48% | 0.475 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | 52.5 | -141 | -173.9 | -51.4 | -65.4 | -177.6 | -177.1 | -8.8 | 109.9 | A395 N396 E401 L402 G435 C436 | A395-R399 WeakPolarHBondContact O-CA 3.47Å; A395-R399 PolarHBondContact O-N 3.02Å; N396-R399 WeakPolarHBondContact O-CD 3.32Å; N396-R399 PolarHBondContact O-NE 2.96Å; N396-R399 PolarHBondContact O-NH2 3.27Å; N396-R399 PolarHBondContact OD1-NH1 3.15Å; R399-E401 PolarHBondContact O-N 3.42Å; R399-L402 WeakPolarHBondContact O-CB 3.35Å; R399-L402 PolarHBondContact O-N 2.99Å; R399-G435 WeakPolarHBondContact CA-O 3.42Å; R399-G435 WeakPolarHBondContact CD-O 3.11Å; R399-C436 PolarHBondContact O-SG 3.3Å |
| 400 | D | 96.2 | Very high | 96.7 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -60.1 | -15.4 | -177.8 | -57.5 | -22.3 | 0 | 0 | 0 | 114.7 | L402 L403 G439 | D400-L402 PolarHBondContact O-N 3.16Å; D400-L403 HydrophobicContact CB-CD1 4.17Å; D400-L403 WeakPolarHBondContact O-CB 3.5Å; D400-L403 PolarHBondContact O-N 3.21Å; D400-G439 VanDerWaalsContact CG-CA 3.49Å; D400-G439 VanDerWaalsContact CG-N 3.27Å; D400-G439 VanDerWaalsContact OD1-CA 3.32Å; D400-G439 WeakPolarHBondContact OD1-CA 3.41Å; D400-G439 PolarHBondContact OD1-N 3.37Å; D400-G439 PolarHBondContact OD2-N 2.93Å |
| 401 | E | 94.9 | Very high | 96.5 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -64.4 | -19.2 | 174.3 | -61.6 | -177.5 | 178.2 | 0 | 0 | 112.6 | Y398 R399 P404 | Y398-E401 WeakPolarHBondContact O-CB 3.37Å; Y398-E401 PolarHBondContact O-N 3.16Å; R399-E401 PolarHBondContact O-N 3.42Å; E401-P404 WeakPolarHBondContact O-CD 3.47Å |
| 402 | L | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -77.7 | -29.5 | 177.9 | -154.1 | 63.3 | 0 | 0 | 0 | 112.7 | L305 I309 L391 L394 A395 Y398 R399 D400 P404 H405 I406 | L305-L402 HydrophobicContact CD1-CD1 4.16Å; L305-L402 HydrophobicContact CD2-CD1 4Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CD1-CD2 4.3Å; I309-L402 HydrophobicContact CD1-CG 4.1Å; I309-L402 HydrophobicContact CG1-CD1 4.06Å; L391-L402 HydrophobicContact CD1-CD2 4.12Å; L394-L402 HydrophobicContact CB-CD2 4.36Å; A395-L402 HydrophobicContact CB-CD2 4.14Å; Y398-L402 HydrophobicContact CD2-CD1 4.32Å; Y398-L402 HydrophobicContact CG-CD1 4.31Å; R399-L402 WeakPolarHBondContact O-CB 3.35Å; R399-L402 PolarHBondContact O-N 2.99Å; D400-L402 PolarHBondContact O-N 3.16Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; L402-H405 WeakPolarHBondContact O-CB 3.5Å; L402-H405 PolarHBondContact O-N 3.16Å; L402-I406 HydrophobicContact CB-CD1 4.33Å; L402-I406 HydrophobicContact CD2-CD1 3.58Å; L402-I406 HydrophobicContact CG-CD1 3.62Å; L402-I406 HydrophobicContact CG-CG1 4.23Å; L402-I406 PolarHBondContact O-N 3.32Å |
| 403 | L | 97.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -39.6 | -171.7 | -66.1 | 178.5 | 0 | 0 | 0 | 115.1 | D400 H405 I406 L407 I432 C436 G439 M440 | D400-L403 HydrophobicContact CB-CD1 4.17Å; D400-L403 WeakPolarHBondContact O-CB 3.5Å; D400-L403 PolarHBondContact O-N 3.21Å; L403-H405 PolarHBondContact O-N 3.27Å; L403-H405 VanDerWaalsContact O-N 3.09Å; L403-I406 PolarHBondContact O-N 2.7Å; L403-I406 VanDerWaalsContact O-N 3.07Å; L403-L407 HydrophobicContact CB-CD1 3.99Å; L403-L407 HydrophobicContact CB-CG 4.2Å; L403-L407 WeakPolarHBondContact O-CB 3.41Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.41Å; L403-L407 PolarHBondContact O-N 3.03Å; L403-I432 HydrophobicContact CD2-CD1 4.14Å; L403-C436 HydrophobicContact CD1-CB 4.39Å; L403-C436 HydrophobicContact CD2-CB 3.77Å; L403-C436 HydrophobicContact CG-CB 4.14Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; L403-M440 HydrophobicContact CD1-SD 4.47Å; L403-M440 HydrophobicContact CD2-CG 4.06Å; L403-M440 HydrophobicContact CD2-SD 3.6Å; L403-M440 VanDerWaalsContact CD2-SD 3.6Å |
| 404 | P | 96.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58.1 | -24.1 | 176.3 | -25.8 | 36.1 | 0 | 0 | 0 | 114.2 | E401 L402 P408 | E401-P404 WeakPolarHBondContact O-CD 3.47Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; P404-P408 WeakPolarHBondContact O-CD 3.39Å; P404-P408 WeakPolarHBondContact O-CG 3.29Å |
| 405 | H | 96.6 | Very high | 96 | Very high | 58 Ų | 58 | 53 Ų | 53 | 27% | 0.269 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91.2 | -23.9 | 178.5 | -55.9 | -54.3 | 0 | 0 | 0 | 112.8 | I309 L402 L403 | I309-H405 HydrophobicContact CB-CB 4.21Å; I309-H405 HydrophobicContact CG1-CB 4.09Å; I309-H405 HydrophobicContact CG2-CB 4.26Å; L402-H405 WeakPolarHBondContact O-CB 3.5Å; L402-H405 PolarHBondContact O-N 3.16Å; L403-H405 PolarHBondContact O-N 3.27Å; L403-H405 VanDerWaalsContact O-N 3.09Å |
| 406 | I | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -95.2 | -46.8 | -176.2 | -64.3 | -178.3 | 0 | 0 | 0 | 112.2 | I309 L391 L402 L403 P408 L409 L410 V428 I432 | I309-I406 HydrophobicContact CG2-CD1 4.43Å; I309-I406 HydrophobicContact CG2-CG1 3.51Å; L391-I406 HydrophobicContact CD1-CD1 3.93Å; L402-I406 HydrophobicContact CB-CD1 4.33Å; L402-I406 HydrophobicContact CD2-CD1 3.58Å; L402-I406 HydrophobicContact CG-CD1 3.62Å; L402-I406 HydrophobicContact CG-CG1 4.23Å; L402-I406 PolarHBondContact O-N 3.32Å; L403-I406 PolarHBondContact O-N 2.7Å; L403-I406 VanDerWaalsContact O-N 3.07Å; I406-P408 VanDerWaalsContact C-CD 3.42Å; I406-P408 VanDerWaalsContact C-N 3.33Å; I406-L409 WeakPolarHBondContact O-CA 3.44Å; I406-L409 WeakPolarHBondContact O-CB 3.48Å; I406-L409 PolarHBondContact O-N 3.32Å; I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 3.83Å; I406-L410 PolarHBondContact O-N 3.33Å; I406-V428 HydrophobicContact CG2-CG1 3.8Å; I406-I432 HydrophobicContact CD1-CG2 3.64Å; I406-I432 HydrophobicContact CG2-CD1 4.15Å |
| 407 | L | 96.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 63 Ų | 63 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.3 | -37.9 | -174 | -68.8 | 173.1 | 0 | 0 | 0 | 114.2 | L403 L409 L410 K411 M440 Y443 | L403-L407 HydrophobicContact CB-CD1 3.99Å; L403-L407 HydrophobicContact CB-CG 4.2Å; L403-L407 WeakPolarHBondContact O-CB 3.41Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.41Å; L403-L407 PolarHBondContact O-N 3.03Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.4Å; L407-L410 HydrophobicContact CD2-CD1 4.35Å; L407-K411 WeakPolarHBondContact O-CG 3.06Å; L407-K411 PolarHBondContact O-N 3.45Å; L407-M440 HydrophobicContact CD2-SD 4.02Å; L407-Y443 HydrophobicContact CD1-CE1 4.32Å; L407-Y443 HydrophobicContact CD1-CE2 3.74Å; L407-Y443 WeakPolarHBondContact CD1-OH 3.32Å; L407-Y443 HydrophobicContact CD2-CD2 4.38Å; L407-Y443 HydrophobicContact CD2-CE2 4.29Å |
| 408 | P | 95.9 | Very high | 96 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 174.3 | -23.1 | 35.3 | 0 | 0 | 0 | 113 | P404 I406 | P404-P408 WeakPolarHBondContact O-CD 3.39Å; P404-P408 WeakPolarHBondContact O-CG 3.29Å; I406-P408 VanDerWaalsContact C-CD 3.42Å; I406-P408 VanDerWaalsContact C-N 3.33Å |
| 409 | L | 97.5 | Very high | 96 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70 | -45.7 | 179.3 | -57.4 | 174.1 | 0 | 0 | 0 | 110.5 | I309 P310 V313 I406 L407 K411 E412 L413 | I309-L409 HydrophobicContact CG2-CD1 4.03Å; P310-L409 HydrophobicContact CB-CD1 4.35Å; P310-L409 HydrophobicContact CG-CD1 4.13Å; V313-L409 HydrophobicContact CB-CD1 4.23Å; V313-L409 HydrophobicContact CG1-CD1 4.28Å; V313-L409 HydrophobicContact CG2-CD1 4.03Å; I406-L409 WeakPolarHBondContact O-CA 3.44Å; I406-L409 WeakPolarHBondContact O-CB 3.48Å; I406-L409 PolarHBondContact O-N 3.32Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.4Å; L409-K411 PolarHBondContact O-N 3.04Å; L409-E412 PolarHBondContact O-N 3.07Å; L409-L413 HydrophobicContact CB-CD1 4.36Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.37Å; L409-L413 PolarHBondContact O-N 3.29Å |
| 410 | L | 96.3 | Very high | 96 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.6 | -39.1 | 178.9 | -78.8 | 175.2 | 0 | 0 | 0 | 113.1 | I406 L407 E412 L413 L414 G425 V428 L429 I432 | I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 3.83Å; I406-L410 PolarHBondContact O-N 3.33Å; L407-L410 HydrophobicContact CD2-CD1 4.35Å; L410-E412 PolarHBondContact O-N 3.24Å; L410-L413 PolarHBondContact O-N 3.47Å; L410-L414 HydrophobicContact CB-CD1 4.18Å; L410-L414 HydrophobicContact CD2-CD1 4.29Å; L410-L414 HydrophobicContact CD2-CG 4.29Å; L410-L414 WeakPolarHBondContact O-CB 3.38Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.3Å; L410-L414 PolarHBondContact O-N 3.06Å; L410-G425 VanDerWaalsContact CD2-O 3.28Å; L410-G425 WeakPolarHBondContact CD2-O 3.46Å; L410-V428 HydrophobicContact CD2-CB 3.94Å; L410-V428 HydrophobicContact CD2-CG1 3.64Å; L410-V428 HydrophobicContact CG-CG1 4.15Å; L410-L429 HydrophobicContact CD1-CD2 3.54Å; L410-L429 HydrophobicContact CD1-CG 4.29Å; L410-L429 HydrophobicContact CD2-CD2 4.08Å; L410-L429 HydrophobicContact CD2-CG 3.88Å; L410-L429 HydrophobicContact CG-CD2 4.44Å; L410-I432 HydrophobicContact CD1-CD1 4.32Å |
| 411 | K | 91.2 | Very high | 96.1 | Very high | 152 Ų | 152 | 62.3 Ų | 62.3 | 66% | 0.661 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.7 | -31.4 | 176.9 | -73.4 | 177.1 | -179.1 | -179.1 | 0 | 113.3 | L407 L409 | L407-K411 WeakPolarHBondContact O-CG 3.06Å; L407-K411 PolarHBondContact O-N 3.45Å; L409-K411 PolarHBondContact O-N 3.04Å |
| 412 | E | 93.9 | Very high | 96.2 | Very high | 147 Ų | 147 | 58.2 Ų | 58.2 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -83.7 | -37.6 | 177.4 | -63 | -176.7 | 175.6 | 0 | 0 | 111.3 | L409 L410 | L409-E412 PolarHBondContact O-N 3.07Å; L410-E412 PolarHBondContact O-N 3.24Å |
| 413 | L | 97.7 | Very high | 96.3 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74.6 | -53.9 | -174.7 | -61 | 169.7 | 0 | 0 | 0 | 112.6 | V313 L409 L410 F415 H416 V421 K422 | V313-L413 HydrophobicContact CG1-CD1 3.45Å; V313-L413 VanDerWaalsContact CG1-CD1 3.45Å; L409-L413 HydrophobicContact CB-CD1 4.36Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.37Å; L409-L413 PolarHBondContact O-N 3.29Å; L410-L413 PolarHBondContact O-N 3.47Å; L413-F415 PolarHBondContact O-N 3.5Å; L413-F415 VanDerWaalsContact O-N 3.11Å; L413-H416 WeakPolarHBondContact O-CB 3.43Å; L413-H416 PolarHBondContact O-N 3.22Å; L413-V421 HydrophobicContact CD2-CG1 3.43Å; L413-V421 VanDerWaalsContact CD2-CG1 3.43Å; L413-K422 VanDerWaalsContact O-CA 3.3Å; L413-K422 WeakPolarHBondContact O-CA 3.48Å |
| 414 | L | 96.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.6 | -170.8 | -66 | 170.3 | 0 | 0 | 0 | 113.6 | L410 K422 I426 L429 L447 H450 | L410-L414 HydrophobicContact CB-CD1 4.18Å; L410-L414 HydrophobicContact CD2-CD1 4.29Å; L410-L414 HydrophobicContact CD2-CG 4.29Å; L410-L414 WeakPolarHBondContact O-CB 3.38Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.3Å; L410-L414 PolarHBondContact O-N 3.06Å; L414-K422 WeakPolarHBondContact O-CG 3.33Å; L414-I426 HydrophobicContact CD2-CG1 3.88Å; L414-L429 HydrophobicContact CD1-CD1 3.74Å; L414-L429 HydrophobicContact CD1-CG 4.31Å; L414-L429 HydrophobicContact CD2-CD1 3.58Å; L414-L429 HydrophobicContact CD2-CG 4.19Å; L414-L429 HydrophobicContact CG-CD1 4.3Å; L414-L447 HydrophobicContact CD1-CD2 3.81Å; L414-H450 PolarHBondContact O-NE2 3Å |
| 415 | F | 93.5 | Very high | 96.4 | Very high | 112 Ų | 112 | 53.7 Ų | 53.7 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 9.7 | -179 | -57 | -78.6 | 0 | 0 | 0 | 112.9 | L413 H450 | L413-F415 PolarHBondContact O-N 3.5Å; L413-F415 VanDerWaalsContact O-N 3.11Å; F415-H450 AromaticContact CD1-CE1 3.87Å; F415-H450 AromaticContact CE1-CE1 3.55Å; F415-H450 AromaticContact CE1-ND1 3.75Å; F415-H450 AromaticContact CE1-NE2 3.88Å |
| 416 | H | 96 | Very high | 96.5 | Very high | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | trans | -68.6 | 145.2 | -179.4 | -160.8 | -89.6 | 0 | 0 | 0 | 111.9 | L413 E418 V421 K422 | L413-H416 WeakPolarHBondContact O-CB 3.43Å; L413-H416 PolarHBondContact O-N 3.22Å; H416-E418 WeakPolarHBondContact ND1-CB 3.12Å; H416-E418 PolarHBondContact ND1-N 3.46Å; H416-E418 PolarHBondContact ND1-O 3.32Å; H416-V421 HydrophobicContact CB-CB 3.96Å; H416-V421 HydrophobicContact CB-CG1 3.71Å; H416-V421 WeakPolarHBondContact ND1-CB 3.2Å; H416-K422 WeakPolarHBondContact O-CE 3.46Å | ||
| 417 | H | 95 | Very high | 96.5 | Very high | 175 Ų | 175 | 51.6 Ų | 51.6 | 81% | 0.81 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -75.4 | -36.6 | -179.2 | -65.2 | -54.8 | 0 | 0 | 0 | 113.2 | W419 | H417-W419 PolarHBondContact O-N 3.29Š|
| 418 | E | 97 | Very high | 96.6 | Very high | 121 Ų | 121 | 50.3 Ų | 50.3 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -71.2 | 124.9 | 172.4 | -62.3 | -59.3 | 148.3 | 0 | 0 | 110.2 | H416 V420 V421 K422 | H416-E418 WeakPolarHBondContact ND1-CB 3.12Å; H416-E418 PolarHBondContact ND1-N 3.46Å; H416-E418 PolarHBondContact ND1-O 3.32Å; E418-V420 VanDerWaalsContact C-N 3.35Å; E418-V420 PolarHBondContact O-N 3.41Å; E418-V421 HydrophobicContact CB-CG2 4.16Å; E418-V421 PolarHBondContact O-N 3.36Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 VanDerWaalsContact O-N 3.13Å |
| 419 | W | 95.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 13% | 0.129 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | -172 | 72.3 | -90.6 | 0 | 0 | 0 | 112.2 | Y318 I323 H417 V421 K422 E423 K459 L461 V462 | Y318-W419 HydrophobicContact CD2-CH2 4.39Å; Y318-W419 HydrophobicContact CD2-CZ3 4.2Å; I323-W419 HydrophobicContact CD1-CH2 4.04Å; I323-W419 HydrophobicContact CD1-CZ2 3.88Å; I323-W419 HydrophobicContact CG1-CH2 4.09Å; I323-W419 HydrophobicContact CG1-CZ2 4.3Å; H417-W419 PolarHBondContact O-N 3.29Å; W419-V421 VanDerWaalsContact C-N 3.27Å; W419-V421 PolarHBondContact O-N 3.27Å; W419-K422 PolarHBondContact O-N 3.29Å; W419-E423 HydrophobicContact CE3-CB 4.22Å; W419-E423 HydrophobicContact CE3-CG 4.44Å; W419-E423 HydrophobicContact CZ3-CG 4.36Å; W419-E423 WeakPolarHBondContact O-CB 3.11Å; W419-E423 PolarHBondContact O-N 2.82Å; W419-K459 HydrophobicContact CB-CB 4.33Å; W419-K459 HydrophobicContact CB-CG 3.73Å; W419-K459 HydrophobicContact CD2-CB 4.46Å; W419-K459 HydrophobicContact CD2-CD 4.49Å; W419-K459 HydrophobicContact CD2-CG 3.96Å; W419-K459 HydrophobicContact CG-CB 4.41Å; W419-K459 HydrophobicContact CG-CD 4.38Å; W419-K459 HydrophobicContact CG-CG 3.61Å; W419-L461 HydrophobicContact CE3-CB 4.5Å; W419-L461 HydrophobicContact CH2-CB 4.45Å; W419-L461 HydrophobicContact CH2-CD1 3.48Å; W419-L461 VanDerWaalsContact CH2-CD1 3.48Å; W419-L461 HydrophobicContact CZ3-CB 3.81Å; W419-L461 HydrophobicContact CZ3-CD1 3.69Å; W419-L461 HydrophobicContact CZ3-CG 4.39Å; W419-V462 HydrophobicContact CB-CG2 4.07Å; W419-V462 HydrophobicContact CE3-CG2 4.18Å |
| 420 | V | 96.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 178.8 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | K317 I323 E418 S424 | K317-V420 HydrophobicContact CB-CG1 4.11Å; I323-V420 HydrophobicContact CD1-CG2 4.06Å; E418-V420 VanDerWaalsContact C-N 3.35Å; E418-V420 PolarHBondContact O-N 3.41Å; V420-S424 WeakPolarHBondContact O-CB 3.31Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.11Å |
| 421 | V | 97.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.4 | -44.5 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | L413 H416 E418 W419 S424 G425 | L413-V421 HydrophobicContact CD2-CG1 3.43Å; L413-V421 VanDerWaalsContact CD2-CG1 3.43Å; H416-V421 HydrophobicContact CB-CB 3.96Å; H416-V421 HydrophobicContact CB-CG1 3.71Å; H416-V421 WeakPolarHBondContact ND1-CB 3.2Å; E418-V421 HydrophobicContact CB-CG2 4.16Å; E418-V421 PolarHBondContact O-N 3.36Å; W419-V421 VanDerWaalsContact C-N 3.27Å; W419-V421 PolarHBondContact O-N 3.27Å; V421-S424 PolarHBondContact O-N 2.83Å; V421-S424 PolarHBondContact O-OG 3.27Å; V421-G425 PolarHBondContact O-N 3.09Å; V421-G425 VanDerWaalsContact O-N 3.12Å |
| 422 | K | 98 | Very high | 97.1 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -52 | 175 | -177.2 | -167.4 | -58.5 | -177.1 | 0 | 111.8 | L413 L414 H416 E418 W419 S424 G425 I426 D457 V462 | L413-K422 VanDerWaalsContact O-CA 3.3Å; L413-K422 WeakPolarHBondContact O-CA 3.48Å; L414-K422 WeakPolarHBondContact O-CG 3.33Å; H416-K422 WeakPolarHBondContact O-CE 3.46Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 VanDerWaalsContact O-N 3.13Å; W419-K422 PolarHBondContact O-N 3.29Å; K422-S424 VanDerWaalsContact C-N 3.33Å; K422-S424 PolarHBondContact O-N 3.07Å; K422-G425 WeakPolarHBondContact O-CA 3.33Å; K422-G425 PolarHBondContact O-N 3.15Å; K422-I426 HydrophobicContact CG-CD1 4.25Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.2Å; K422-I426 VanDerWaalsContact O-N 3.08Å; K422-D457 IonicContact NZ-OD2 2.85Å; K422-D457 PolarHBondContact NZ-OD2 3.45Å; K422-V462 HydrophobicContact CD-CG1 4.21Å |
| 423 | E | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.5 | -47.8 | 178.8 | -169.9 | -68.7 | 144.7 | 0 | 0 | 110.4 | Y318 R384 W419 G425 I426 L427 V462 I465 | Y318-E423 HydrophobicContact CE2-CG 4.27Å; R384-E423 IonicContact CZ-OE1 2.7Å; R384-E423 IonicContact CZ-OE2 3.79Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3.48Å; R384-E423 IonicContact NH1-OE2 2.8Å; R384-E423 PolarHBondContact NH1-OE2 2.8Å; R384-E423 IonicContact NH2-OE1 3.96Å; R384-E423 PolarHBondContact NH2-OE1 3.44Å; R384-E423 IonicContact NH2-OE2 2.76Å; R384-E423 PolarHBondContact NH2-OE2 3.45Å; W419-E423 HydrophobicContact CE3-CB 4.22Å; W419-E423 HydrophobicContact CE3-CG 4.44Å; W419-E423 HydrophobicContact CZ3-CG 4.36Å; W419-E423 WeakPolarHBondContact O-CB 3.11Å; W419-E423 PolarHBondContact O-N 2.82Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.26Å; E423-I426 WeakPolarHBondContact O-CB 3.39Å; E423-I426 PolarHBondContact O-N 2.95Å; E423-L427 PolarHBondContact O-N 3.13Å; E423-V462 HydrophobicContact CB-CG2 3.99Å; E423-V462 HydrophobicContact CG-CG2 4.32Å; E423-I465 HydrophobicContact CG-CG2 3.72Å; E423-I465 WeakPolarHBondContact OE1-CB 3.34Å; E423-I465 WeakPolarHBondContact OE1-CG1 2.82Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.42Å |
| 424 | S | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -34.1 | 176.1 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | V420 V421 K422 I426 L427 V428 | V420-S424 WeakPolarHBondContact O-CB 3.31Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.11Å; V421-S424 PolarHBondContact O-N 2.83Å; V421-S424 PolarHBondContact O-OG 3.27Å; K422-S424 VanDerWaalsContact C-N 3.33Å; K422-S424 PolarHBondContact O-N 3.07Å; S424-I426 VanDerWaalsContact C-N 3.32Å; S424-L427 PolarHBondContact O-N 3.12Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 3.43Å; S424-V428 PolarHBondContact O-N 3.47Å |
| 425 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L410 V421 K422 E423 V428 L429 | L410-G425 VanDerWaalsContact CD2-O 3.28Å; L410-G425 WeakPolarHBondContact CD2-O 3.46Å; V421-G425 PolarHBondContact O-N 3.09Å; V421-G425 VanDerWaalsContact O-N 3.12Å; K422-G425 WeakPolarHBondContact O-CA 3.33Å; K422-G425 PolarHBondContact O-N 3.15Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.26Å; G425-V428 PolarHBondContact O-N 3.43Å; G425-L429 PolarHBondContact O-N 2.82Å |
| 426 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.9 | -44.7 | 175.4 | -63.1 | 170.1 | 0 | 0 | 0 | 109.5 | L414 K422 E423 S424 V428 L429 G430 L451 C454 V462 I465 T466 T469 | L414-I426 HydrophobicContact CD2-CG1 3.88Å; K422-I426 HydrophobicContact CG-CD1 4.25Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.2Å; K422-I426 VanDerWaalsContact O-N 3.08Å; E423-I426 WeakPolarHBondContact O-CB 3.39Å; E423-I426 PolarHBondContact O-N 2.95Å; S424-I426 VanDerWaalsContact C-N 3.32Å; I426-V428 VanDerWaalsContact C-N 3.29Å; I426-V428 PolarHBondContact O-N 2.79Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.46Å; I426-G430 PolarHBondContact O-N 3.15Å; I426-G430 VanDerWaalsContact O-N 3.1Å; I426-L451 HydrophobicContact CB-CD2 4.5Å; I426-L451 HydrophobicContact CD1-CD2 4.47Å; I426-L451 HydrophobicContact CG1-CD2 4.02Å; I426-L451 HydrophobicContact CG2-CD2 3.91Å; I426-C454 HydrophobicContact CD1-CB 4.22Å; I426-V462 HydrophobicContact CD1-CG1 3.97Å; I426-I465 HydrophobicContact CB-CG2 4.08Å; I426-I465 HydrophobicContact CG2-CG1 4.33Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; I426-T466 WeakPolarHBondContact CD1-OG1 3.26Å; I426-T469 HydrophobicContact CG2-CG2 4.07Å; I426-T469 VanDerWaalsContact CG2-OG1 3.29Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.47Å; I426-T469 PolarHBondContact O-OG1 2.93Å; I426-T469 VanDerWaalsContact O-OG1 3.14Å |
| 427 | L | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 7% | 0.073 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -42.4 | 172.4 | 178.4 | 64.1 | 0 | 0 | 0 | 112 | M316 R384 A388 E423 S424 L429 G430 A431 I465 W468 | M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.17Å; M316-L427 HydrophobicContact CE-CD1 4.49Å; M316-L427 HydrophobicContact CE-CD2 3.72Å; M316-L427 HydrophobicContact CE-CG 3.45Å; M316-L427 VanDerWaalsContact CE-CG 3.45Å; M316-L427 HydrophobicContact CG-CD2 4.45Å; R384-L427 HydrophobicContact CG-CD2 4.44Å; A388-L427 HydrophobicContact CB-CD1 4.4Å; A388-L427 HydrophobicContact CB-CD2 4.13Å; A388-L427 HydrophobicContact CB-CG 4.41Å; E423-L427 PolarHBondContact O-N 3.13Å; S424-L427 PolarHBondContact O-N 3.12Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.09Å; L427-G430 PolarHBondContact O-N 2.91Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.16Å; L427-I465 HydrophobicContact CB-CD1 4.17Å; L427-I465 HydrophobicContact CB-CG1 3.99Å; L427-I465 HydrophobicContact CD1-CD1 3.69Å; L427-I465 HydrophobicContact CD1-CG1 4.46Å; L427-I465 HydrophobicContact CG-CD1 4.47Å; L427-W468 HydrophobicContact CD1-CE3 4.47Å; L427-W468 HydrophobicContact CD1-CH2 4.26Å; L427-W468 HydrophobicContact CD1-CZ3 3.82Å |
| 428 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | V313 M316 L391 I406 L410 S424 G425 I426 G430 I432 | V313-V428 HydrophobicContact CB-CG2 4.41Å; V313-V428 HydrophobicContact CG1-CG2 4.13Å; V313-V428 HydrophobicContact CG2-CG1 4.43Å; V313-V428 HydrophobicContact CG2-CG2 3.92Å; M316-V428 HydrophobicContact CE-CB 4.32Å; M316-V428 HydrophobicContact CE-CG2 3.64Å; M316-V428 HydrophobicContact SD-CG2 3.63Å; L391-V428 HydrophobicContact CD2-CB 4.45Å; L391-V428 HydrophobicContact CD2-CG1 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.18Å; I406-V428 HydrophobicContact CG2-CG1 3.8Å; L410-V428 HydrophobicContact CD2-CB 3.94Å; L410-V428 HydrophobicContact CD2-CG1 3.64Å; L410-V428 HydrophobicContact CG-CG1 4.15Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 3.43Å; S424-V428 PolarHBondContact O-N 3.47Å; G425-V428 PolarHBondContact O-N 3.43Å; I426-V428 VanDerWaalsContact C-N 3.29Å; I426-V428 PolarHBondContact O-N 2.79Å; V428-G430 VanDerWaalsContact C-N 3.34Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 2.9Å |
| 429 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.6 | -79.4 | 178.1 | 0 | 0 | 0 | 112.4 | L410 L414 G425 I426 L427 I432 A433 M440 L447 L451 T469 Y473 | L410-L429 HydrophobicContact CD1-CD2 3.54Å; L410-L429 HydrophobicContact CD1-CG 4.29Å; L410-L429 HydrophobicContact CD2-CD2 4.08Å; L410-L429 HydrophobicContact CD2-CG 3.88Å; L410-L429 HydrophobicContact CG-CD2 4.44Å; L414-L429 HydrophobicContact CD1-CD1 3.74Å; L414-L429 HydrophobicContact CD1-CG 4.31Å; L414-L429 HydrophobicContact CD2-CD1 3.58Å; L414-L429 HydrophobicContact CD2-CG 4.19Å; L414-L429 HydrophobicContact CG-CD1 4.3Å; G425-L429 PolarHBondContact O-N 2.82Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.46Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.09Å; L429-I432 WeakPolarHBondContact O-CG1 3.38Å; L429-A433 PolarHBondContact O-N 3.24Å; L429-M440 HydrophobicContact CD2-CE 3.7Å; L429-L447 HydrophobicContact CD1-CD2 4.39Å; L429-L447 HydrophobicContact CD2-CD1 4.03Å; L429-L451 HydrophobicContact CD1-CD1 4.17Å; L429-L451 HydrophobicContact CD1-CD2 4.16Å; L429-L451 HydrophobicContact CD1-CG 4.44Å; L429-T469 HydrophobicContact CB-CG2 3.92Å; L429-Y473 WeakPolarHBondContact O-CE2 3.31Å; L429-Y473 PolarHBondContact O-OH 2.96Å |
| 430 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.9 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I426 L427 V428 I432 A433 | I426-G430 PolarHBondContact O-N 3.15Å; I426-G430 VanDerWaalsContact O-N 3.1Å; L427-G430 PolarHBondContact O-N 2.91Å; V428-G430 VanDerWaalsContact C-N 3.34Å; G430-I432 PolarHBondContact O-N 3.34Å; G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 2.88Å |
| 431 | A | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.9 | -30.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M316 D392 L427 | M316-A431 HydrophobicContact CE-CB 4.17Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.36Å; D392-A431 HydrophobicContact CB-CB 4.48Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.16Å |
| 432 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -5.4 | 179 | 70 | 177.3 | 0 | 0 | 0 | 114 | L391 A395 L403 I406 L410 V428 L429 G430 E434 G435 C436 M440 | L391-I432 HydrophobicContact CD2-CG2 4.19Å; L391-I432 HydrophobicContact CG-CG2 4.15Å; A395-I432 HydrophobicContact CB-CB 4.18Å; A395-I432 HydrophobicContact CB-CG2 4.21Å; L403-I432 HydrophobicContact CD2-CD1 4.14Å; I406-I432 HydrophobicContact CD1-CG2 3.64Å; I406-I432 HydrophobicContact CG2-CD1 4.15Å; L410-I432 HydrophobicContact CD1-CD1 4.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 2.9Å; L429-I432 WeakPolarHBondContact O-CG1 3.38Å; G430-I432 PolarHBondContact O-N 3.34Å; I432-E434 PolarHBondContact O-N 2.78Å; I432-G435 PolarHBondContact O-N 3.26Å; I432-C436 HydrophobicContact CB-CB 4.37Å; I432-C436 WeakPolarHBondContact O-CB 3.44Å; I432-C436 PolarHBondContact O-N 3.38Å; I432-M440 HydrophobicContact CD1-CE 4.44Å; I432-M440 HydrophobicContact CD1-CG 4.35Å; I432-M440 HydrophobicContact CD1-SD 4.03Å |
| 433 | A | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -51.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L429 G430 M437 R472 Y473 | L429-A433 PolarHBondContact O-N 3.24Å; G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 2.88Å; A433-M437 VanDerWaalsContact O-CA 3.25Å; A433-M437 WeakPolarHBondContact O-CA 3.48Å; A433-M437 VanDerWaalsContact O-CB 3.26Å; A433-M437 WeakPolarHBondContact O-CB 3.44Å; A433-M437 PolarHBondContact O-N 3.08Å; A433-R472 HydrophobicContact CB-CB 3.73Å; A433-Y473 WeakPolarHBondContact CA-OH 3.41Å; A433-Y473 HydrophobicContact CB-CD1 4.46Å; A433-Y473 HydrophobicContact CB-CD2 4.25Å; A433-Y473 HydrophobicContact CB-CE1 3.89Å; A433-Y473 HydrophobicContact CB-CE2 3.64Å; A433-Y473 VanDerWaalsContact CB-CZ 3.44Å |
| 434 | E | 92.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 27.7 Ų | 27.7 | 51% | 0.509 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -50.5 | -178.3 | -170.6 | -179.2 | 159.2 | 0 | 0 | 112 | I432 C436 R472 | I432-E434 PolarHBondContact O-N 2.78Å; E434-C436 VanDerWaalsContact C-N 3.34Å; E434-C436 PolarHBondContact O-N 3.2Å; E434-R472 IonicContact OE2-CZ 3.69Å; E434-R472 IonicContact OE2-NH2 3.31Å; E434-R472 PolarHBondContact OE2-NH2 3.23Å |
| 435 | G | 95.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -36.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A395 R399 I432 | A395-G435 CarbonylContact O-C 3.57Å; A395-G435 WeakPolarHBondContact O-CA 3.25Å; R399-G435 WeakPolarHBondContact CA-O 3.42Å; R399-G435 WeakPolarHBondContact CD-O 3.11Å; I432-G435 PolarHBondContact O-N 3.26Å |
| 436 | C | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 17.4 | -171.7 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | R399 L403 I432 E434 Q438 G439 M440 | R399-C436 PolarHBondContact O-SG 3.3Å; L403-C436 HydrophobicContact CD1-CB 4.39Å; L403-C436 HydrophobicContact CD2-CB 3.77Å; L403-C436 HydrophobicContact CG-CB 4.14Å; I432-C436 HydrophobicContact CB-CB 4.37Å; I432-C436 WeakPolarHBondContact O-CB 3.44Å; I432-C436 PolarHBondContact O-N 3.38Å; E434-C436 VanDerWaalsContact C-N 3.34Å; E434-C436 PolarHBondContact O-N 3.2Å; C436-Q438 VanDerWaalsContact C-N 3.3Å; C436-Q438 PolarHBondContact O-N 3.11Å; C436-G439 PolarHBondContact O-N 3.1Å; C436-M440 HydrophobicContact CB-CG 4.25Å; C436-M440 WeakPolarHBondContact O-CB 3.4Å; C436-M440 WeakPolarHBondContact O-CG 3.39Å; C436-M440 PolarHBondContact O-N 3.08Å |
| 437 | M | 95.8 | Very high | 97 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -50.4 | -48.5 | -173.1 | -175.2 | 58.9 | 74 | 0 | 0 | 112.5 | A433 G439 M440 I441 L444 Y473 W476 | A433-M437 VanDerWaalsContact O-CA 3.25Å; A433-M437 WeakPolarHBondContact O-CA 3.48Å; A433-M437 VanDerWaalsContact O-CB 3.26Å; A433-M437 WeakPolarHBondContact O-CB 3.44Å; A433-M437 PolarHBondContact O-N 3.08Å; M437-G439 PolarHBondContact O-N 3.11Å; M437-M440 PolarHBondContact O-N 3.38Å; M437-M440 VanDerWaalsContact O-N 3.08Å; M437-I441 WeakPolarHBondContact O-CG1 3.46Å; M437-I441 PolarHBondContact O-N 3.49Å; M437-I441 VanDerWaalsContact O-N 3.08Å; M437-L444 HydrophobicContact SD-CD1 4.21Å; M437-Y473 HydrophobicContact CE-CD1 3.63Å; M437-Y473 HydrophobicContact CE-CE1 3.95Å; M437-Y473 HydrophobicContact SD-CD1 3.81Å; M437-Y473 HydrophobicContact SD-CE1 3.97Å; M437-W476 HydrophobicContact SD-CB 4.43Å |
| 438 | Q | 95.7 | Very high | 97 | Very high | 135 Ų | 135 | 38 Ų | 38 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.4 | -41.5 | -174.3 | -174.6 | 56.8 | 64.5 | 0 | 0 | 112.9 | C436 | C436-Q438 VanDerWaalsContact C-N 3.3Å; C436-Q438 PolarHBondContact O-N 3.11Å |
| 439 | G | 97.1 | Very high | 97 | Very high | 16 Ų | 16 | 41 Ų | 41 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.6 | -19.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D400 L403 C436 M437 P442 Y443 | D400-G439 VanDerWaalsContact CG-CA 3.49Å; D400-G439 VanDerWaalsContact CG-N 3.27Å; D400-G439 VanDerWaalsContact OD1-CA 3.32Å; D400-G439 WeakPolarHBondContact OD1-CA 3.41Å; D400-G439 PolarHBondContact OD1-N 3.37Å; D400-G439 PolarHBondContact OD2-N 2.93Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; C436-G439 PolarHBondContact O-N 3.1Å; M437-G439 PolarHBondContact O-N 3.11Å; G439-P442 WeakPolarHBondContact O-CD 3.48Å; G439-Y443 WeakPolarHBondContact O-CE2 3.4Å |
| 440 | M | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.8 | -28.6 | 176 | -74.8 | -58.1 | -66.3 | 0 | 0 | 113.6 | L403 L407 L429 I432 C436 M437 P442 Y443 L444 L447 | L403-M440 HydrophobicContact CD1-SD 4.47Å; L403-M440 HydrophobicContact CD2-CG 4.06Å; L403-M440 HydrophobicContact CD2-SD 3.6Å; L403-M440 VanDerWaalsContact CD2-SD 3.6Å; L407-M440 HydrophobicContact CD2-SD 4.02Å; L429-M440 HydrophobicContact CD2-CE 3.7Å; I432-M440 HydrophobicContact CD1-CE 4.44Å; I432-M440 HydrophobicContact CD1-CG 4.35Å; I432-M440 HydrophobicContact CD1-SD 4.03Å; C436-M440 HydrophobicContact CB-CG 4.25Å; C436-M440 WeakPolarHBondContact O-CB 3.4Å; C436-M440 WeakPolarHBondContact O-CG 3.39Å; C436-M440 PolarHBondContact O-N 3.08Å; M437-M440 PolarHBondContact O-N 3.38Å; M437-M440 VanDerWaalsContact O-N 3.08Å; M440-P442 VanDerWaalsContact C-N 3.3Å; M440-P442 VanDerWaalsContact O-N 3.07Å; M440-Y443 WeakPolarHBondContact O-CA 3.41Å; M440-Y443 WeakPolarHBondContact O-CB 3.14Å; M440-Y443 PolarHBondContact O-N 3.45Å; M440-Y443 HydrophobicContact SD-CD2 4.39Å; M440-L444 HydrophobicContact CB-CD2 4.4Å; M440-L444 WeakPolarHBondContact O-CG 3.36Å; M440-L444 PolarHBondContact O-N 2.96Å; M440-L447 HydrophobicContact CE-CD1 3.43Å; M440-L447 VanDerWaalsContact CE-CD1 3.43Å |
| 441 | I | 97.6 | Very high | 97 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 30% | 0.303 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -45.3 | 179.9 | -74.4 | 166.9 | 0 | 0 | 0 | 114.4 | M437 Y443 L444 P445 | M437-I441 WeakPolarHBondContact O-CG1 3.46Å; M437-I441 PolarHBondContact O-N 3.49Å; M437-I441 VanDerWaalsContact O-N 3.08Å; I441-Y443 PolarHBondContact O-N 3.1Å; I441-Y443 VanDerWaalsContact O-N 3.16Å; I441-L444 HydrophobicContact CG1-CD1 4.39Å; I441-L444 PolarHBondContact O-N 2.87Å; I441-P445 WeakPolarHBondContact O-CD 3.32Å |
| 442 | P | 97.6 | Very high | 97 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 62% | 0.617 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.4 | 178.9 | -23.9 | 35.7 | 0 | 0 | 0 | 115 | G439 M440 | G439-P442 WeakPolarHBondContact O-CD 3.48Å; M440-P442 VanDerWaalsContact C-N 3.3Å; M440-P442 VanDerWaalsContact O-N 3.07Å |
| 443 | Y | 96.8 | Very high | 97 | Very high | 98 Ų | 98 | 50 Ų | 50 | 38% | 0.384 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -24.9 | -177.7 | -54.2 | -80.9 | 0 | 0 | 0 | 112.8 | L407 G439 M440 I441 P445 E446 L447 | L407-Y443 HydrophobicContact CD1-CE1 4.32Å; L407-Y443 HydrophobicContact CD1-CE2 3.74Å; L407-Y443 WeakPolarHBondContact CD1-OH 3.32Å; L407-Y443 HydrophobicContact CD2-CD2 4.38Å; L407-Y443 HydrophobicContact CD2-CE2 4.29Å; G439-Y443 WeakPolarHBondContact O-CE2 3.4Å; M440-Y443 WeakPolarHBondContact O-CA 3.41Å; M440-Y443 WeakPolarHBondContact O-CB 3.14Å; M440-Y443 PolarHBondContact O-N 3.45Å; M440-Y443 HydrophobicContact SD-CD2 4.39Å; I441-Y443 PolarHBondContact O-N 3.1Å; I441-Y443 VanDerWaalsContact O-N 3.16Å; Y443-P445 VanDerWaalsContact C-N 3.32Å; Y443-E446 PolarHBondContact O-N 3.2Å; Y443-L447 WeakPolarHBondContact O-CG 3.32Å; Y443-L447 PolarHBondContact O-N 2.99Å |
| 444 | L | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.2 | -36.1 | -178.9 | -61.3 | -177.1 | 0 | 0 | 0 | 114.6 | M437 M440 I441 E446 L447 I448 Y473 W476 | M437-L444 HydrophobicContact SD-CD1 4.21Å; M440-L444 HydrophobicContact CB-CD2 4.4Å; M440-L444 WeakPolarHBondContact O-CG 3.36Å; M440-L444 PolarHBondContact O-N 2.96Å; I441-L444 HydrophobicContact CG1-CD1 4.39Å; I441-L444 PolarHBondContact O-N 2.87Å; L444-E446 PolarHBondContact O-N 3.28Å; L444-E446 VanDerWaalsContact O-N 3.12Å; L444-L447 PolarHBondContact O-N 2.93Å; L444-I448 HydrophobicContact CB-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.39Å; L444-I448 WeakPolarHBondContact O-CB 3.46Å; L444-I448 WeakPolarHBondContact O-CG1 3.47Å; L444-I448 PolarHBondContact O-N 2.83Å; L444-Y473 HydrophobicContact CD1-CD1 3.96Å; L444-Y473 HydrophobicContact CD1-CE1 4.3Å; L444-Y473 HydrophobicContact CD2-CD1 3.69Å; L444-Y473 HydrophobicContact CD2-CE1 3.59Å; L444-Y473 HydrophobicContact CD2-CG 4.41Å; L444-W476 HydrophobicContact CB-CD2 4.03Å; L444-W476 HydrophobicContact CB-CE3 4.07Å; L444-W476 HydrophobicContact CB-CH2 3.71Å; L444-W476 HydrophobicContact CB-CZ2 3.65Å; L444-W476 HydrophobicContact CB-CZ3 3.94Å; L444-W476 HydrophobicContact CD1-CB 4.09Å; L444-W476 HydrophobicContact CD1-CD2 3.44Å; L444-W476 VanDerWaalsContact CD1-CD2 3.44Å; L444-W476 HydrophobicContact CD1-CE3 4.02Å; L444-W476 HydrophobicContact CD1-CG 3.45Å; L444-W476 VanDerWaalsContact CD1-CG 3.45Å; L444-W476 HydrophobicContact CD1-CZ2 4.4Å; L444-W476 HydrophobicContact CG-CD2 4.37Å |
| 445 | P | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 41% | 0.409 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.6 | -26.5 | 175.5 | -29.6 | 36.9 | 0 | 0 | 0 | 115 | I441 Y443 P449 W476 Y485 | I441-P445 WeakPolarHBondContact O-CD 3.32Å; Y443-P445 VanDerWaalsContact C-N 3.32Å; P445-P449 WeakPolarHBondContact O-CD 3.41Å; P445-P449 WeakPolarHBondContact O-CG 3.42Å; P445-W476 HydrophobicContact CG-CH2 4.47Å; P445-W476 HydrophobicContact CG-CZ2 4.34Å; P445-Y485 WeakPolarHBondContact CA-OH 3.41Å |
| 446 | E | 96 | Very high | 97.5 | Very high | 145 Ų | 145 | 48.4 Ų | 48.4 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -95.8 | -40.8 | 174.5 | -175 | 177 | 177.8 | 0 | 0 | 111.6 | Y443 L444 H450 | Y443-E446 PolarHBondContact O-N 3.2Å; L444-E446 PolarHBondContact O-N 3.28Å; L444-E446 VanDerWaalsContact O-N 3.12Å; E446-H450 PolarHBondContact O-N 3.38Å |
| 447 | L | 97 | Very high | 97.5 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.9 | -43.1 | -175.3 | -68 | 174 | 0 | 0 | 0 | 113.2 | L414 L429 M440 Y443 L444 H450 L451 | L414-L447 HydrophobicContact CD1-CD2 3.81Å; L429-L447 HydrophobicContact CD1-CD2 4.39Å; L429-L447 HydrophobicContact CD2-CD1 4.03Å; M440-L447 HydrophobicContact CE-CD1 3.43Å; M440-L447 VanDerWaalsContact CE-CD1 3.43Å; Y443-L447 WeakPolarHBondContact O-CG 3.32Å; Y443-L447 PolarHBondContact O-N 2.99Å; L444-L447 PolarHBondContact O-N 2.93Å; L447-H450 WeakPolarHBondContact O-CB 3.27Å; L447-H450 PolarHBondContact O-N 3.03Å; L447-H450 VanDerWaalsContact O-N 3.16Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 3.34Å |
| 448 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -48.6 | -177.2 | -64.8 | -63.5 | 0 | 0 | 0 | 111.5 | L444 H450 L451 I452 L470 Y473 W476 V477 Y485 | L444-I448 HydrophobicContact CB-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.39Å; L444-I448 WeakPolarHBondContact O-CB 3.46Å; L444-I448 WeakPolarHBondContact O-CG1 3.47Å; L444-I448 PolarHBondContact O-N 2.83Å; I448-H450 PolarHBondContact O-N 2.92Å; I448-L451 HydrophobicContact CD1-CD1 4.45Å; I448-L451 PolarHBondContact O-N 2.89Å; I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.36Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.16Å; I448-L470 HydrophobicContact CD1-CD2 4.04Å; I448-L470 HydrophobicContact CG2-CD2 4.45Å; I448-Y473 HydrophobicContact CD1-CG 4.19Å; I448-W476 HydrophobicContact CB-CZ3 4.19Å; I448-W476 HydrophobicContact CG1-CE3 3.97Å; I448-W476 HydrophobicContact CG1-CZ3 3.65Å; I448-V477 HydrophobicContact CD1-CG2 4.37Å; I448-V477 HydrophobicContact CG2-CG2 4.06Å; I448-Y485 HydrophobicContact CB-CD1 4.37Å; I448-Y485 HydrophobicContact CG2-CD1 3.96Å |
| 449 | P | 98 | Very high | 97.5 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 173.1 | -26.9 | 36.5 | 0 | 0 | 0 | 113.8 | P445 Q453 Y485 | P445-P449 WeakPolarHBondContact O-CD 3.41Å; P445-P449 WeakPolarHBondContact O-CG 3.42Å; P449-Q453 PolarHBondContact O-N 3.31Å; P449-Q453 VanDerWaalsContact O-N 3.09Å; P449-Y485 HydrophobicContact CG-CD1 4.48Å; P449-Y485 HydrophobicContact CG-CE1 4.01Å |
| 450 | H | 97.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.9 | 176.1 | 64.1 | 0 | 0 | 0 | 112.1 | L414 F415 E446 L447 I448 Q453 C454 | L414-H450 PolarHBondContact O-NE2 3Å; F415-H450 AromaticContact CD1-CE1 3.87Å; F415-H450 AromaticContact CE1-CE1 3.55Å; F415-H450 AromaticContact CE1-ND1 3.75Å; F415-H450 AromaticContact CE1-NE2 3.88Å; E446-H450 PolarHBondContact O-N 3.38Å; L447-H450 WeakPolarHBondContact O-CB 3.27Å; L447-H450 PolarHBondContact O-N 3.03Å; L447-H450 VanDerWaalsContact O-N 3.16Å; I448-H450 PolarHBondContact O-N 2.92Å; H450-Q453 WeakPolarHBondContact O-CA 3.33Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.32Å; H450-Q453 PolarHBondContact O-N 2.89Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; H450-C454 PolarHBondContact O-N 3.16Å |
| 451 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.3 | -71.3 | 173.5 | 0 | 0 | 0 | 111.3 | I426 L429 L447 I448 Q453 C454 L455 T466 T469 L470 | I426-L451 HydrophobicContact CB-CD2 4.5Å; I426-L451 HydrophobicContact CD1-CD2 4.47Å; I426-L451 HydrophobicContact CG1-CD2 4.02Å; I426-L451 HydrophobicContact CG2-CD2 3.91Å; L429-L451 HydrophobicContact CD1-CD1 4.17Å; L429-L451 HydrophobicContact CD1-CD2 4.16Å; L429-L451 HydrophobicContact CD1-CG 4.44Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 3.34Å; I448-L451 HydrophobicContact CD1-CD1 4.45Å; I448-L451 PolarHBondContact O-N 2.89Å; L451-Q453 PolarHBondContact O-N 3.02Å; L451-C454 CarbonylContact O-C 3.57Å; L451-C454 WeakPolarHBondContact O-CA 3.42Å; L451-C454 WeakPolarHBondContact O-CB 3.3Å; L451-C454 PolarHBondContact O-N 3.36Å; L451-L455 PolarHBondContact O-N 3.48Å; L451-L455 VanDerWaalsContact O-N 3.1Å; L451-T466 HydrophobicContact CB-CG2 4.21Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.48Å; L451-T469 HydrophobicContact CD1-CG2 4.02Å; L451-L470 HydrophobicContact CB-CD1 4.21Å; L451-L470 HydrophobicContact CB-CD2 3.67Å; L451-L470 HydrophobicContact CB-CG 3.97Å; L451-L470 HydrophobicContact CD1-CD2 4.12Å |
| 452 | I | 98.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -36.9 | 173.7 | -68.4 | 168.8 | 0 | 0 | 0 | 110.9 | I448 L455 L470 P488 L489 E492 | I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.36Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.16Å; I452-L455 WeakPolarHBondContact O-CB 3.41Å; I452-L455 PolarHBondContact O-N 2.94Å; I452-L470 HydrophobicContact CG1-CD1 4.37Å; I452-L470 HydrophobicContact CG1-CD2 4.33Å; I452-P488 HydrophobicContact CD1-CB 4.16Å; I452-L489 HydrophobicContact CD1-CB 3.98Å; I452-L489 HydrophobicContact CG1-CB 4.37Å; I452-L489 HydrophobicContact CG1-CD1 4.14Å; I452-E492 HydrophobicContact CG2-CB 4.11Å; I452-E492 HydrophobicContact CG2-CG 3.62Å |
| 453 | Q | 98 | Very high | 97.4 | Very high | 145 Ų | 145 | 43.1 Ų | 43.1 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.7 | -38.7 | 172.5 | -173.5 | -176.6 | 4.5 | 0 | 0 | 112.4 | P449 H450 L451 L455 S456 | P449-Q453 PolarHBondContact O-N 3.31Å; P449-Q453 VanDerWaalsContact O-N 3.09Å; H450-Q453 WeakPolarHBondContact O-CA 3.33Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.32Å; H450-Q453 PolarHBondContact O-N 2.89Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; L451-Q453 PolarHBondContact O-N 3.02Å; Q453-L455 PolarHBondContact O-N 3.05Å; Q453-S456 PolarHBondContact O-N 3.06Å |
| 454 | C | 98.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.054 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -20.9 | 176.6 | -77 | 0 | 0 | 0 | 0 | 113.7 | I426 H450 L451 S456 D457 T466 | I426-C454 HydrophobicContact CD1-CB 4.22Å; H450-C454 PolarHBondContact O-N 3.16Å; L451-C454 CarbonylContact O-C 3.57Å; L451-C454 WeakPolarHBondContact O-CA 3.42Å; L451-C454 WeakPolarHBondContact O-CB 3.3Å; L451-C454 PolarHBondContact O-N 3.36Å; C454-S456 PolarHBondContact O-N 3.44Å; C454-D457 VanDerWaalsContact O-CB 3.32Å; C454-D457 WeakPolarHBondContact O-CB 3.43Å; C454-D457 PolarHBondContact O-N 3.38Å; C454-T466 HydrophobicContact CB-CG2 3.9Å |
| 455 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.4 | 168.4 | -68.3 | 173.9 | 0 | 0 | 0 | 111.5 | L451 I452 Q453 R463 T466 C467 L470 L489 E492 L493 R496 | L451-L455 PolarHBondContact O-N 3.48Å; L451-L455 VanDerWaalsContact O-N 3.1Å; I452-L455 WeakPolarHBondContact O-CB 3.41Å; I452-L455 PolarHBondContact O-N 2.94Å; Q453-L455 PolarHBondContact O-N 3.05Å; L455-R463 WeakPolarHBondContact O-CD 3.42Å; L455-R463 VanDerWaalsContact O-CG 3.24Å; L455-R463 WeakPolarHBondContact O-CG 3.48Å; L455-T466 HydrophobicContact CD2-CG2 3.75Å; L455-T466 HydrophobicContact CG-CG2 3.91Å; L455-C467 HydrophobicContact CD2-CB 4.44Å; L455-C467 WeakPolarHBondContact CD2-SG 3.41Å; L455-L470 HydrophobicContact CD1-CD1 3.71Å; L455-L470 HydrophobicContact CD2-CD1 3.98Å; L455-L470 HydrophobicContact CG-CD1 3.8Å; L455-L489 HydrophobicContact CD1-CD1 4.44Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.59Å; L455-L493 HydrophobicContact CD1-CD2 4.21Å; L455-L493 HydrophobicContact CD1-CG 4.4Å; L455-L493 HydrophobicContact CD2-CD2 4.25Å; L455-R496 HydrophobicContact CB-CG 4.2Å; L455-R496 HydrophobicContact CD2-CG 4.35Å; L455-R496 VanDerWaalsContact O-CD 3.26Å; L455-R496 WeakPolarHBondContact O-CD 3.19Å; L455-R496 PolarHBondContact O-NH1 2.91Å |
| 456 | S | 97.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 48% | 0.483 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 22 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | Q453 C454 R496 | Q453-S456 PolarHBondContact O-N 3.06Å; C454-S456 PolarHBondContact O-N 3.44Å; S456-R496 PolarHBondContact OG-NH1 3.05Å |
| 457 | D | 97.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | trans | -64.3 | 150 | 174.1 | -162.8 | -70.7 | 0 | 0 | 0 | 111.4 | K422 C454 K459 V462 R463 | K422-D457 IonicContact NZ-OD2 2.85Å; K422-D457 PolarHBondContact NZ-OD2 3.45Å; C454-D457 VanDerWaalsContact O-CB 3.32Å; C454-D457 WeakPolarHBondContact O-CB 3.43Å; C454-D457 PolarHBondContact O-N 3.38Å; D457-K459 PolarHBondContact O-N 3.46Å; D457-K459 PolarHBondContact OD1-N 3.18Å; D457-V462 HydrophobicContact CB-CB 3.92Å; D457-V462 HydrophobicContact CB-CG1 3.56Å; D457-R463 HydrophobicContact CB-CG 4.43Å; D457-R463 VanDerWaalsContact O-CD 3.23Å; D457-R463 WeakPolarHBondContact O-CD 3.43Å; D457-R463 WeakPolarHBondContact O-CG 3.42Å; D457-R463 PolarHBondContact O-NH1 3.12Å | ||
| 458 | K | 95.4 | Very high | 97.6 | Very high | 159 Ų | 159 | 31 Ų | 31 | 69% | 0.691 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -62.8 | -27 | 178 | 66.2 | -179.1 | -179.4 | 178 | 0 | 112.5 | R463 | K458-R463 PolarHBondContact O-NH1 2.82Š|
| 459 | K | 96.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 31 Ų | 31 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -93.8 | 122.6 | -177.3 | -75.2 | -53.7 | -159.9 | 163.8 | 0 | 111.9 | E331 W419 D457 L461 V462 R463 | E331-K459 WeakPolarHBondContact OE1-CD 3.46Å; E331-K459 WeakPolarHBondContact OE1-CE 3.47Å; E331-K459 IonicContact OE1-NZ 3.5Å; E331-K459 PolarHBondContact OE1-NZ 3.48Å; E331-K459 WeakPolarHBondContact OE2-CA 3.34Å; W419-K459 HydrophobicContact CB-CB 4.33Å; W419-K459 HydrophobicContact CB-CG 3.73Å; W419-K459 HydrophobicContact CD2-CB 4.46Å; W419-K459 HydrophobicContact CD2-CD 4.49Å; W419-K459 HydrophobicContact CD2-CG 3.96Å; W419-K459 HydrophobicContact CG-CB 4.41Å; W419-K459 HydrophobicContact CG-CD 4.38Å; W419-K459 HydrophobicContact CG-CG 3.61Å; D457-K459 PolarHBondContact O-N 3.46Å; D457-K459 PolarHBondContact OD1-N 3.18Å; K459-L461 VanDerWaalsContact C-N 3.31Å; K459-L461 PolarHBondContact O-N 3.13Å; K459-V462 HydrophobicContact CB-CB 4.2Å; K459-V462 HydrophobicContact CB-CG2 3.8Å; K459-V462 WeakPolarHBondContact O-CB 3.44Å; K459-V462 PolarHBondContact O-N 2.96Å; K459-V462 VanDerWaalsContact O-N 3.08Å; K459-R463 VanDerWaalsContact C-NH1 3.34Å; K459-R463 PolarHBondContact O-N 2.9Å; K459-R463 VanDerWaalsContact O-N 3.08Å |
| 460 | A | 96.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.7 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E331 V462 R463 S464 N501 V504 | E331-A460 WeakPolarHBondContact OE2-CB 3.35Å; E331-A460 PolarHBondContact OE2-N 3Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.24Å; A460-R463 PolarHBondContact O-N 3.23Å; A460-R463 VanDerWaalsContact O-N 3.1Å; A460-S464 WeakPolarHBondContact O-CB 3.46Å; A460-S464 PolarHBondContact O-N 2.99Å; A460-N501 HydrophobicContact CB-CB 3.91Å; A460-V504 HydrophobicContact CB-CG2 3.81Å; A460-V504 VanDerWaalsContact O-CG2 3.25Å; A460-V504 WeakPolarHBondContact O-CG2 3.32Å |
| 461 | L | 95.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 177.2 | -67.5 | 174.3 | 0 | 0 | 0 | 112.7 | Y318 L326 W419 K459 I465 | Y318-L461 HydrophobicContact CE2-CD1 4.21Å; L326-L461 HydrophobicContact CD1-CD2 4.39Å; W419-L461 HydrophobicContact CE3-CB 4.5Å; W419-L461 HydrophobicContact CH2-CB 4.45Å; W419-L461 HydrophobicContact CH2-CD1 3.48Å; W419-L461 VanDerWaalsContact CH2-CD1 3.48Å; W419-L461 HydrophobicContact CZ3-CB 3.81Å; W419-L461 HydrophobicContact CZ3-CD1 3.69Å; W419-L461 HydrophobicContact CZ3-CG 4.39Å; K459-L461 VanDerWaalsContact C-N 3.31Å; K459-L461 PolarHBondContact O-N 3.13Å; L461-I465 WeakPolarHBondContact O-CG2 3.08Å; L461-I465 PolarHBondContact O-N 2.8Å |
| 462 | V | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | W419 K422 E423 I426 D457 K459 A460 S464 I465 T466 | W419-V462 HydrophobicContact CB-CG2 4.07Å; W419-V462 HydrophobicContact CE3-CG2 4.18Å; K422-V462 HydrophobicContact CD-CG1 4.21Å; E423-V462 HydrophobicContact CB-CG2 3.99Å; E423-V462 HydrophobicContact CG-CG2 4.32Å; I426-V462 HydrophobicContact CD1-CG1 3.97Å; D457-V462 HydrophobicContact CB-CB 3.92Å; D457-V462 HydrophobicContact CB-CG1 3.56Å; K459-V462 HydrophobicContact CB-CB 4.2Å; K459-V462 HydrophobicContact CB-CG2 3.8Å; K459-V462 WeakPolarHBondContact O-CB 3.44Å; K459-V462 PolarHBondContact O-N 2.96Å; K459-V462 VanDerWaalsContact O-N 3.08Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.24Å; V462-S464 PolarHBondContact O-N 2.85Å; V462-I465 WeakPolarHBondContact O-CG2 3.18Å; V462-T466 VanDerWaalsContact O-CB 3.26Å; V462-T466 WeakPolarHBondContact O-CB 3.32Å; V462-T466 PolarHBondContact O-N 2.91Å; V462-T466 VanDerWaalsContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.36Å |
| 463 | R | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 6% | 0.06 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 178.1 | -59.5 | -165 | -64 | -75.7 | 1.8 | 111.1 | L455 D457 K458 K459 A460 T466 C467 D499 V504 | L455-R463 WeakPolarHBondContact O-CD 3.42Å; L455-R463 VanDerWaalsContact O-CG 3.24Å; L455-R463 WeakPolarHBondContact O-CG 3.48Å; D457-R463 HydrophobicContact CB-CG 4.43Å; D457-R463 VanDerWaalsContact O-CD 3.23Å; D457-R463 WeakPolarHBondContact O-CD 3.43Å; D457-R463 WeakPolarHBondContact O-CG 3.42Å; D457-R463 PolarHBondContact O-NH1 3.12Å; K458-R463 PolarHBondContact O-NH1 2.82Å; K459-R463 VanDerWaalsContact C-NH1 3.34Å; K459-R463 PolarHBondContact O-N 2.9Å; K459-R463 VanDerWaalsContact O-N 3.08Å; A460-R463 PolarHBondContact O-N 3.23Å; A460-R463 VanDerWaalsContact O-N 3.1Å; R463-T466 WeakPolarHBondContact O-CB 3.39Å; R463-T466 PolarHBondContact O-N 2.77Å; R463-C467 PolarHBondContact O-N 3.3Å; R463-C467 PolarHBondContact O-SG 3.39Å; R463-C467 VanDerWaalsContact O-SG 3.35Å; R463-D499 IonicContact CZ-OD1 2.7Å; R463-D499 IonicContact CZ-OD2 3.81Å; R463-D499 IonicContact NE-OD1 2.82Å; R463-D499 IonicContact NE-OD2 3.43Å; R463-D499 PolarHBondContact NE-OD2 3.01Å; R463-D499 IonicContact NH2-OD1 3.63Å; R463-D499 PolarHBondContact NH2-OD1 3.27Å; R463-D499 IonicContact NH2-OD2 3.97Å; R463-V504 HydrophobicContact CB-CG1 3.83Å; R463-V504 HydrophobicContact CB-CG2 3.92Å |
| 464 | S | 97.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 22.2 Ų | 22.2 | 13% | 0.126 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.9 | -55.4 | 179.9 | -169 | 0 | 0 | 0 | 0 | 112.2 | A460 V462 T466 C467 W468 R503 A507 | A460-S464 WeakPolarHBondContact O-CB 3.46Å; A460-S464 PolarHBondContact O-N 2.99Å; V462-S464 PolarHBondContact O-N 2.85Å; S464-T466 PolarHBondContact O-N 3.09Å; S464-C467 WeakPolarHBondContact O-CB 3.25Å; S464-C467 PolarHBondContact O-N 3.46Å; S464-C467 VanDerWaalsContact O-N 3.11Å; S464-W468 PolarHBondContact O-N 3.24Å; S464-R503 WeakPolarHBondContact OG-CG 3.47Å; S464-A507 WeakPolarHBondContact OG-CB 3.27Å |
| 465 | I | 97.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.097 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.5 | -27.7 | -179.4 | -166.3 | 59.2 | 0 | 0 | 0 | 112.1 | E423 I426 L427 L461 V462 W468 T469 | E423-I465 HydrophobicContact CG-CG2 3.72Å; E423-I465 WeakPolarHBondContact OE1-CB 3.34Å; E423-I465 WeakPolarHBondContact OE1-CG1 2.82Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.42Å; I426-I465 HydrophobicContact CB-CG2 4.08Å; I426-I465 HydrophobicContact CG2-CG1 4.33Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; L427-I465 HydrophobicContact CB-CD1 4.17Å; L427-I465 HydrophobicContact CB-CG1 3.99Å; L427-I465 HydrophobicContact CD1-CD1 3.69Å; L427-I465 HydrophobicContact CD1-CG1 4.46Å; L427-I465 HydrophobicContact CG-CD1 4.47Å; L461-I465 WeakPolarHBondContact O-CG2 3.08Å; L461-I465 PolarHBondContact O-N 2.8Å; V462-I465 WeakPolarHBondContact O-CG2 3.18Å; I465-W468 HydrophobicContact CD1-CD2 4.29Å; I465-W468 HydrophobicContact CD1-CE3 3.63Å; I465-W468 HydrophobicContact CD1-CZ3 4.23Å; I465-T469 VanDerWaalsContact O-CB 3.29Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 PolarHBondContact O-N 2.71Å; I465-T469 PolarHBondContact O-OG1 3.34Å |
| 466 | T | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 176 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | I426 L451 C454 L455 V462 R463 S464 T469 L470 | I426-T466 WeakPolarHBondContact CD1-OG1 3.26Å; L451-T466 HydrophobicContact CB-CG2 4.21Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.48Å; C454-T466 HydrophobicContact CB-CG2 3.9Å; L455-T466 HydrophobicContact CD2-CG2 3.75Å; L455-T466 HydrophobicContact CG-CG2 3.91Å; V462-T466 VanDerWaalsContact O-CB 3.26Å; V462-T466 WeakPolarHBondContact O-CB 3.32Å; V462-T466 PolarHBondContact O-N 2.91Å; V462-T466 VanDerWaalsContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.36Å; R463-T466 WeakPolarHBondContact O-CB 3.39Å; R463-T466 PolarHBondContact O-N 2.77Å; S464-T466 PolarHBondContact O-N 3.09Å; T466-T469 PolarHBondContact O-N 3.31Å; T466-L470 HydrophobicContact CG2-CD1 3.78Å; T466-L470 HydrophobicContact CG2-CG 4.38Å; T466-L470 WeakPolarHBondContact O-CB 3.48Å; T466-L470 WeakPolarHBondContact O-CD1 3.29Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.35Å; T466-L470 PolarHBondContact O-N 2.86Å |
| 467 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.7 | -54.1 | 172.7 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | L455 R463 S464 T469 L470 S471 L493 A507 A511 | L455-C467 HydrophobicContact CD2-CB 4.44Å; L455-C467 WeakPolarHBondContact CD2-SG 3.41Å; R463-C467 PolarHBondContact O-N 3.3Å; R463-C467 PolarHBondContact O-SG 3.39Å; R463-C467 VanDerWaalsContact O-SG 3.35Å; S464-C467 WeakPolarHBondContact O-CB 3.25Å; S464-C467 PolarHBondContact O-N 3.46Å; S464-C467 VanDerWaalsContact O-N 3.11Å; C467-T469 PolarHBondContact O-N 3.36Å; C467-L470 PolarHBondContact O-N 2.83Å; C467-S471 PolarHBondContact O-N 3.44Å; C467-S471 VanDerWaalsContact O-N 3.08Å; C467-L493 HydrophobicContact CB-CD2 4.26Å; C467-A507 HydrophobicContact CB-CB 3.97Å; C467-A507 WeakPolarHBondContact CB-O 3.34Å; C467-A511 HydrophobicContact CB-CB 4Å; C467-A511 WeakPolarHBondContact O-CB 3.45Å |
| 468 | W | 97.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 177.6 | 178 | 87.2 | 0 | 0 | 0 | 112.1 | E371 L427 S464 I465 L470 S471 R472 | E371-W468 PolarHBondContact O-NE1 2.85Å; E371-W468 VanDerWaalsContact O-NE1 3.12Å; L427-W468 HydrophobicContact CD1-CE3 4.47Å; L427-W468 HydrophobicContact CD1-CH2 4.26Å; L427-W468 HydrophobicContact CD1-CZ3 3.82Å; S464-W468 PolarHBondContact O-N 3.24Å; I465-W468 HydrophobicContact CD1-CD2 4.29Å; I465-W468 HydrophobicContact CD1-CE3 3.63Å; I465-W468 HydrophobicContact CD1-CZ3 4.23Å; W468-L470 VanDerWaalsContact C-N 3.3Å; W468-L470 PolarHBondContact O-N 3.38Å; W468-S471 PolarHBondContact O-N 3.04Å; W468-S471 PolarHBondContact O-OG 2.98Å; W468-R472 HydrophobicContact CZ2-CG 4.32Å; W468-R472 WeakPolarHBondContact O-CG 3.45Å; W468-R472 PolarHBondContact O-N 3.44Å |
| 469 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.3 | -38 | 179 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | I426 L429 L451 I465 T466 C467 R472 Y473 | I426-T469 HydrophobicContact CG2-CG2 4.07Å; I426-T469 VanDerWaalsContact CG2-OG1 3.29Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.47Å; I426-T469 PolarHBondContact O-OG1 2.93Å; I426-T469 VanDerWaalsContact O-OG1 3.14Å; L429-T469 HydrophobicContact CB-CG2 3.92Å; L451-T469 HydrophobicContact CD1-CG2 4.02Å; I465-T469 VanDerWaalsContact O-CB 3.29Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 PolarHBondContact O-N 2.71Å; I465-T469 PolarHBondContact O-OG1 3.34Å; T466-T469 PolarHBondContact O-N 3.31Å; C467-T469 PolarHBondContact O-N 3.36Å; T469-R472 PolarHBondContact O-N 2.78Å; T469-Y473 HydrophobicContact CG2-CE2 4.32Å; T469-Y473 VanDerWaalsContact O-CD2 3.28Å; T469-Y473 WeakPolarHBondContact O-CD2 3.22Å |
| 470 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.3 | -32.8 | 178.5 | -78.6 | 164.6 | 0 | 0 | 0 | 112.6 | I448 L451 I452 L455 T466 C467 W468 R472 Y473 A474 L489 | I448-L470 HydrophobicContact CD1-CD2 4.04Å; I448-L470 HydrophobicContact CG2-CD2 4.45Å; L451-L470 HydrophobicContact CB-CD1 4.21Å; L451-L470 HydrophobicContact CB-CD2 3.67Å; L451-L470 HydrophobicContact CB-CG 3.97Å; L451-L470 HydrophobicContact CD1-CD2 4.12Å; I452-L470 HydrophobicContact CG1-CD1 4.37Å; I452-L470 HydrophobicContact CG1-CD2 4.33Å; L455-L470 HydrophobicContact CD1-CD1 3.71Å; L455-L470 HydrophobicContact CD2-CD1 3.98Å; L455-L470 HydrophobicContact CG-CD1 3.8Å; T466-L470 HydrophobicContact CG2-CD1 3.78Å; T466-L470 HydrophobicContact CG2-CG 4.38Å; T466-L470 WeakPolarHBondContact O-CB 3.48Å; T466-L470 WeakPolarHBondContact O-CD1 3.29Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.35Å; T466-L470 PolarHBondContact O-N 2.86Å; C467-L470 PolarHBondContact O-N 2.83Å; W468-L470 VanDerWaalsContact C-N 3.3Å; W468-L470 PolarHBondContact O-N 3.38Å; L470-R472 VanDerWaalsContact C-N 3.32Å; L470-R472 PolarHBondContact O-N 3.21Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 3.12Å; L470-Y473 VanDerWaalsContact O-N 3.12Å; L470-A474 PolarHBondContact O-N 3.22Å; L470-L489 HydrophobicContact CB-CD1 4Å; L470-L489 HydrophobicContact CD1-CD1 3.65Å; L470-L489 HydrophobicContact CD2-CD1 4.1Å; L470-L489 HydrophobicContact CG-CD1 4.13Å |
| 471 | S | 98 | Very high | 97.3 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 175.9 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | C467 W468 Y473 A474 | C467-S471 PolarHBondContact O-N 3.44Å; C467-S471 VanDerWaalsContact O-N 3.08Å; W468-S471 PolarHBondContact O-N 3.04Å; W468-S471 PolarHBondContact O-OG 2.98Å; S471-Y473 PolarHBondContact O-N 3.16Å; S471-A474 WeakPolarHBondContact O-CB 3.35Å; S471-A474 PolarHBondContact O-N 3.12Å |
| 472 | R | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 27.5 Ų | 27.5 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | 174.1 | -54.8 | -68.3 | -72.6 | 163.3 | 5.4 | 114 | E371 A433 E434 W468 T469 L470 | E371-R472 IonicContact OE1-NH1 3.54Å; E371-R472 IonicContact OE2-CZ 2.76Å; E371-R472 IonicContact OE2-NE 3.55Å; E371-R472 IonicContact OE2-NH1 3.95Å; E371-R472 PolarHBondContact OE2-NH1 3.19Å; A433-R472 HydrophobicContact CB-CB 3.73Å; E434-R472 IonicContact OE2-CZ 3.69Å; E434-R472 IonicContact OE2-NH2 3.31Å; E434-R472 PolarHBondContact OE2-NH2 3.23Å; W468-R472 HydrophobicContact CZ2-CG 4.32Å; W468-R472 WeakPolarHBondContact O-CG 3.45Å; W468-R472 PolarHBondContact O-N 3.44Å; T469-R472 PolarHBondContact O-N 2.78Å; L470-R472 VanDerWaalsContact C-N 3.32Å; L470-R472 PolarHBondContact O-N 3.21Å |
| 473 | Y | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 10.1 | 172.9 | -66.9 | -81.4 | 0 | 0 | 0 | 113.4 | L429 A433 M437 L444 I448 T469 L470 S471 H475 W476 V477 | L429-Y473 WeakPolarHBondContact O-CE2 3.31Å; L429-Y473 PolarHBondContact O-OH 2.96Å; A433-Y473 WeakPolarHBondContact CA-OH 3.41Å; A433-Y473 HydrophobicContact CB-CD1 4.46Å; A433-Y473 HydrophobicContact CB-CD2 4.25Å; A433-Y473 HydrophobicContact CB-CE1 3.89Å; A433-Y473 HydrophobicContact CB-CE2 3.64Å; A433-Y473 VanDerWaalsContact CB-CZ 3.44Å; M437-Y473 HydrophobicContact CE-CD1 3.63Å; M437-Y473 HydrophobicContact CE-CE1 3.95Å; M437-Y473 HydrophobicContact SD-CD1 3.81Å; M437-Y473 HydrophobicContact SD-CE1 3.97Å; L444-Y473 HydrophobicContact CD1-CD1 3.96Å; L444-Y473 HydrophobicContact CD1-CE1 4.3Å; L444-Y473 HydrophobicContact CD2-CD1 3.69Å; L444-Y473 HydrophobicContact CD2-CE1 3.59Å; L444-Y473 HydrophobicContact CD2-CG 4.41Å; I448-Y473 HydrophobicContact CD1-CG 4.19Å; T469-Y473 HydrophobicContact CG2-CE2 4.32Å; T469-Y473 VanDerWaalsContact O-CD2 3.28Å; T469-Y473 WeakPolarHBondContact O-CD2 3.22Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 3.12Å; L470-Y473 VanDerWaalsContact O-N 3.12Å; S471-Y473 PolarHBondContact O-N 3.16Å; Y473-H475 VanDerWaalsContact C-N 3.34Å; Y473-H475 PolarHBondContact O-N 3.03Å; Y473-W476 PolarHBondContact O-N 3.37Å; Y473-W476 VanDerWaalsContact O-N 3.16Å; Y473-V477 WeakPolarHBondContact O-CG2 3.31Å; Y473-V477 PolarHBondContact O-N 3.39Å |
| 474 | A | 97.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L470 S471 W476 V477 V478 T514 L515 E518 | L470-A474 PolarHBondContact O-N 3.22Å; S471-A474 WeakPolarHBondContact O-CB 3.35Å; S471-A474 PolarHBondContact O-N 3.12Å; A474-W476 VanDerWaalsContact C-N 3.32Å; A474-W476 PolarHBondContact O-N 3.18Å; A474-V477 WeakPolarHBondContact O-CA 3.48Å; A474-V477 WeakPolarHBondContact O-CB 3.22Å; A474-V477 PolarHBondContact O-N 3.16Å; A474-V478 WeakPolarHBondContact O-CG2 3.22Å; A474-V478 PolarHBondContact O-N 2.89Å; A474-T514 HydrophobicContact CB-CG2 4.35Å; A474-L515 HydrophobicContact CB-CD1 4.22Å; A474-E518 HydrophobicContact CB-CB 4.36Å; A474-E518 HydrophobicContact CB-CG 4.02Å |
| 475 | H | 95.7 | Very high | 96.7 | Very high | 115 Ų | 115 | 36.2 Ų | 36.2 | 53% | 0.532 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.7 | -47.8 | 175.6 | -174.7 | 70.4 | 0 | 0 | 0 | 112.7 | Y473 V477 V478 S479 E518 | Y473-H475 VanDerWaalsContact C-N 3.34Å; Y473-H475 PolarHBondContact O-N 3.03Å; H475-V477 PolarHBondContact O-N 3.03Å; H475-V478 PolarHBondContact O-N 2.97Å; H475-S479 PolarHBondContact O-N 2.93Å; H475-S479 VanDerWaalsContact O-N 3.07Å; H475-E518 WeakPolarHBondContact CA-OE2 3.26Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CE1-OE2 3.22Å; H475-E518 IonicContact CG-OE2 3.82Å; H475-E518 IonicContact ND1-OE2 3.56Å; H475-E518 PolarHBondContact ND1-OE2 3.11Å |
| 476 | W | 97.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 176.3 | -179.5 | 85.1 | 0 | 0 | 0 | 111.1 | M437 L444 P445 I448 Y473 A474 V478 S479 Q480 Y485 | M437-W476 HydrophobicContact SD-CB 4.43Å; L444-W476 HydrophobicContact CB-CD2 4.03Å; L444-W476 HydrophobicContact CB-CE3 4.07Å; L444-W476 HydrophobicContact CB-CH2 3.71Å; L444-W476 HydrophobicContact CB-CZ2 3.65Å; L444-W476 HydrophobicContact CB-CZ3 3.94Å; L444-W476 HydrophobicContact CD1-CB 4.09Å; L444-W476 HydrophobicContact CD1-CD2 3.44Å; L444-W476 VanDerWaalsContact CD1-CD2 3.44Å; L444-W476 HydrophobicContact CD1-CE3 4.02Å; L444-W476 HydrophobicContact CD1-CG 3.45Å; L444-W476 VanDerWaalsContact CD1-CG 3.45Å; L444-W476 HydrophobicContact CD1-CZ2 4.4Å; L444-W476 HydrophobicContact CG-CD2 4.37Å; P445-W476 HydrophobicContact CG-CH2 4.47Å; P445-W476 HydrophobicContact CG-CZ2 4.34Å; I448-W476 HydrophobicContact CB-CZ3 4.19Å; I448-W476 HydrophobicContact CG1-CE3 3.97Å; I448-W476 HydrophobicContact CG1-CZ3 3.65Å; Y473-W476 PolarHBondContact O-N 3.37Å; Y473-W476 VanDerWaalsContact O-N 3.16Å; A474-W476 VanDerWaalsContact C-N 3.32Å; A474-W476 PolarHBondContact O-N 3.18Å; W476-V478 VanDerWaalsContact C-N 3.31Å; W476-V478 PolarHBondContact O-N 3.32Å; W476-S479 PolarHBondContact O-N 2.89Å; W476-S479 PolarHBondContact O-OG 3.23Å; W476-Q480 HydrophobicContact CD2-CG 4.18Å; W476-Q480 HydrophobicContact CE3-CG 4.26Å; W476-Q480 HydrophobicContact CH2-CG 3.92Å; W476-Q480 HydrophobicContact CZ2-CG 3.81Å; W476-Q480 HydrophobicContact CZ3-CG 4.12Å; W476-Q480 WeakPolarHBondContact O-CG 3.39Å; W476-Q480 PolarHBondContact O-N 3.3Å; W476-Y485 HydrophobicContact CH2-CD1 4.38Å; W476-Y485 HydrophobicContact CH2-CD2 4.17Å; W476-Y485 HydrophobicContact CH2-CE1 4.1Å; W476-Y485 AromaticContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CG 4.42Å; W476-Y485 AromaticContact CH2-CZ 3.83Å; W476-Y485 HydrophobicContact CZ3-CD1 4.15Å; W476-Y485 HydrophobicContact CZ3-CD2 4.22Å; W476-Y485 HydrophobicContact CZ3-CE1 4.3Å; W476-Y485 HydrophobicContact CZ3-CE2 4.35Å; W476-Y485 HydrophobicContact CZ3-CG 4.11Å |
| 477 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | -179.9 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | I448 Y473 A474 H475 Q480 L486 L489 | I448-V477 HydrophobicContact CD1-CG2 4.37Å; I448-V477 HydrophobicContact CG2-CG2 4.06Å; Y473-V477 WeakPolarHBondContact O-CG2 3.31Å; Y473-V477 PolarHBondContact O-N 3.39Å; A474-V477 WeakPolarHBondContact O-CA 3.48Å; A474-V477 WeakPolarHBondContact O-CB 3.22Å; A474-V477 PolarHBondContact O-N 3.16Å; H475-V477 PolarHBondContact O-N 3.03Å; V477-Q480 PolarHBondContact O-N 3.03Å; V477-L486 HydrophobicContact CG1-CB 4.2Å; V477-L489 HydrophobicContact CB-CD2 4.29Å; V477-L489 HydrophobicContact CG1-CB 4.47Å; V477-L489 HydrophobicContact CG1-CD2 3.85Å; V477-L489 HydrophobicContact CG2-CD2 4.14Å |
| 478 | V | 96.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -34.2 | 178.7 | 176 | 0 | 0 | 0 | 0 | 111.8 | A474 H475 W476 Q480 L486 L515 E518 A519 | A474-V478 WeakPolarHBondContact O-CG2 3.22Å; A474-V478 PolarHBondContact O-N 2.89Å; H475-V478 PolarHBondContact O-N 2.97Å; W476-V478 VanDerWaalsContact C-N 3.31Å; W476-V478 PolarHBondContact O-N 3.32Å; V478-Q480 PolarHBondContact O-N 3.21Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; V478-L486 HydrophobicContact CG2-CD1 4.31Å; V478-L515 HydrophobicContact CG2-CD1 4.15Å; V478-E518 WeakPolarHBondContact CG1-O 3.16Å; V478-E518 HydrophobicContact CG2-CB 3.98Å; V478-A519 HydrophobicContact CG1-CB 4.44Å; V478-A519 HydrophobicContact CG2-CB 3.82Å |
| 479 | S | 95.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 40 Ų | 40 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.8 | -13.8 | 176.6 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | H475 W476 | H475-S479 PolarHBondContact O-N 2.93Å; H475-S479 VanDerWaalsContact O-N 3.07Å; W476-S479 PolarHBondContact O-N 2.89Å; W476-S479 PolarHBondContact O-OG 3.23Å |
| 480 | Q | 96 | Very high | 96.6 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -94.9 | 163.4 | 179.6 | -58.7 | -47.6 | -62.3 | 0 | 0 | 112.1 | W476 V477 V478 P482 Y485 | W476-Q480 HydrophobicContact CD2-CG 4.18Å; W476-Q480 HydrophobicContact CE3-CG 4.26Å; W476-Q480 HydrophobicContact CH2-CG 3.92Å; W476-Q480 HydrophobicContact CZ2-CG 3.81Å; W476-Q480 HydrophobicContact CZ3-CG 4.12Å; W476-Q480 WeakPolarHBondContact O-CG 3.39Å; W476-Q480 PolarHBondContact O-N 3.3Å; V477-Q480 PolarHBondContact O-N 3.03Å; V478-Q480 PolarHBondContact O-N 3.21Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; Q480-P482 WeakPolarHBondContact O-CD 3.42Å; Q480-Y485 HydrophobicContact CB-CD2 3.52Å; Q480-Y485 HydrophobicContact CB-CE2 4.05Å; Q480-Y485 HydrophobicContact CG-CD2 3.79Å; Q480-Y485 HydrophobicContact CG-CE2 4.04Å |
| 481 | P | 92.9 | Very high | 96.6 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 53% | 0.532 | 23% | 0.227 | S | C | . | . | trans | -53.9 | 124.3 | 175.9 | -27 | 35.6 | 0 | 0 | 0 | 112.2 | D483 T484 | P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 3.42Å; P481-D483 VanDerWaalsContact O-N 3.1Å; P481-T484 WeakPolarHBondContact O-CB 3.46Å; P481-T484 PolarHBondContact O-N 2.87Å; P481-T484 PolarHBondContact O-OG1 3.23Å | ||
| 482 | P | 90.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -38.5 | -167.5 | -33.9 | 36.3 | 0 | 0 | 0 | 116 | Q480 T484 L486 K487 | Q480-P482 WeakPolarHBondContact O-CD 3.42Å; P482-T484 PolarHBondContact O-N 2.96Å; P482-L486 HydrophobicContact CB-CB 4.5Å; P482-L486 HydrophobicContact CB-CD2 4.26Å; P482-L486 PolarHBondContact O-N 3.48Å; P482-K487 WeakPolarHBondContact O-CB 3.46Å; P482-K487 PolarHBondContact O-N 3.49Å |
| 483 | D | 93.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 40.4 Ų | 40.4 | 60% | 0.599 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.1 | -179.4 | -81.1 | -43.8 | 0 | 0 | 0 | 113.8 | P481 K487 | P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 3.42Å; P481-D483 VanDerWaalsContact O-N 3.1Å; D483-K487 IonicContact OD1-NZ 2.8Å; D483-K487 PolarHBondContact OD1-NZ 3.48Å |
| 484 | T | 94.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -42.7 | -173.3 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | P481 P482 | P481-T484 WeakPolarHBondContact O-CB 3.46Å; P481-T484 PolarHBondContact O-N 2.87Å; P481-T484 PolarHBondContact O-OG1 3.23Å; P482-T484 PolarHBondContact O-N 2.96Å |
| 485 | Y | 96.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -49.8 | -171.7 | -58 | -74.7 | 0 | 0 | 0 | 113 | P445 I448 P449 W476 Q480 K487 P488 L489 | P445-Y485 WeakPolarHBondContact CA-OH 3.41Å; I448-Y485 HydrophobicContact CB-CD1 4.37Å; I448-Y485 HydrophobicContact CG2-CD1 3.96Å; P449-Y485 HydrophobicContact CG-CD1 4.48Å; P449-Y485 HydrophobicContact CG-CE1 4.01Å; W476-Y485 HydrophobicContact CH2-CD1 4.38Å; W476-Y485 HydrophobicContact CH2-CD2 4.17Å; W476-Y485 HydrophobicContact CH2-CE1 4.1Å; W476-Y485 AromaticContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CG 4.42Å; W476-Y485 AromaticContact CH2-CZ 3.83Å; W476-Y485 HydrophobicContact CZ3-CD1 4.15Å; W476-Y485 HydrophobicContact CZ3-CD2 4.22Å; W476-Y485 HydrophobicContact CZ3-CE1 4.3Å; W476-Y485 HydrophobicContact CZ3-CE2 4.35Å; W476-Y485 HydrophobicContact CZ3-CG 4.11Å; Q480-Y485 HydrophobicContact CB-CD2 3.52Å; Q480-Y485 HydrophobicContact CB-CE2 4.05Å; Q480-Y485 HydrophobicContact CG-CD2 3.79Å; Q480-Y485 HydrophobicContact CG-CE2 4.04Å; Y485-K487 PolarHBondContact O-N 3.16Å; Y485-P488 WeakPolarHBondContact O-CD 3.37Å; Y485-L489 VanDerWaalsContact O-CB 3.28Å; Y485-L489 WeakPolarHBondContact O-CB 3.41Å; Y485-L489 PolarHBondContact O-N 3.02Å |
| 486 | L | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -53.6 | -179.3 | 174.3 | 58.9 | 0 | 0 | 0 | 111.8 | V477 V478 P482 L489 M490 L515 A519 E522 L523 | V477-L486 HydrophobicContact CG1-CB 4.2Å; V478-L486 HydrophobicContact CG2-CD1 4.31Å; P482-L486 HydrophobicContact CB-CB 4.5Å; P482-L486 HydrophobicContact CB-CD2 4.26Å; P482-L486 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 3.01Å; L486-M490 VanDerWaalsContact O-CB 3.22Å; L486-M490 WeakPolarHBondContact O-CB 3.49Å; L486-M490 PolarHBondContact O-N 3.08Å; L486-L515 HydrophobicContact CD1-CD1 3.69Å; L486-L515 HydrophobicContact CD1-CD2 4.11Å; L486-L515 HydrophobicContact CD1-CG 4.1Å; L486-A519 HydrophobicContact CD1-CB 4.34Å; L486-A519 HydrophobicContact CD2-CB 4.47Å; L486-E522 HydrophobicContact CD2-CB 4.15Å; L486-L523 HydrophobicContact CD1-CD2 4.42Å |
| 487 | K | 97.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 40 Ų | 40 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -46.8 | -177.2 | 175.4 | -177.3 | -177.8 | -179.9 | 0 | 113.1 | P482 D483 Y485 T491 Y526 | P482-K487 WeakPolarHBondContact O-CB 3.46Å; P482-K487 PolarHBondContact O-N 3.49Å; D483-K487 IonicContact OD1-NZ 2.8Å; D483-K487 PolarHBondContact OD1-NZ 3.48Å; Y485-K487 PolarHBondContact O-N 3.16Å; K487-T491 VanDerWaalsContact O-CB 3.31Å; K487-T491 WeakPolarHBondContact O-CB 3.45Å; K487-T491 PolarHBondContact O-N 2.79Å; K487-T491 PolarHBondContact O-OG1 3.1Å; K487-Y526 HydrophobicContact CD-CE1 4.17Å; K487-Y526 HydrophobicContact CG-CE1 4.27Å |
| 488 | P | 97.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 171.4 | -28.8 | 36.6 | 0 | 0 | 0 | 113.7 | I452 Y485 T491 E492 | I452-P488 HydrophobicContact CD1-CB 4.16Å; Y485-P488 WeakPolarHBondContact O-CD 3.37Å; P488-T491 PolarHBondContact O-N 2.96Å; P488-E492 PolarHBondContact O-N 2.94Å |
| 489 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -55.1 | 179.3 | 175.4 | 59.3 | 0 | 0 | 0 | 111.2 | I452 L455 L470 V477 Y485 L486 T491 E492 L493 L515 | I452-L489 HydrophobicContact CD1-CB 3.98Å; I452-L489 HydrophobicContact CG1-CB 4.37Å; I452-L489 HydrophobicContact CG1-CD1 4.14Å; L455-L489 HydrophobicContact CD1-CD1 4.44Å; L470-L489 HydrophobicContact CB-CD1 4Å; L470-L489 HydrophobicContact CD1-CD1 3.65Å; L470-L489 HydrophobicContact CD2-CD1 4.1Å; L470-L489 HydrophobicContact CG-CD1 4.13Å; V477-L489 HydrophobicContact CB-CD2 4.29Å; V477-L489 HydrophobicContact CG1-CB 4.47Å; V477-L489 HydrophobicContact CG1-CD2 3.85Å; V477-L489 HydrophobicContact CG2-CD2 4.14Å; Y485-L489 VanDerWaalsContact O-CB 3.28Å; Y485-L489 WeakPolarHBondContact O-CB 3.41Å; Y485-L489 PolarHBondContact O-N 3.02Å; L486-L489 PolarHBondContact O-N 3.01Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.43Å; L489-E492 PolarHBondContact O-N 3.29Å; L489-E492 VanDerWaalsContact O-N 3.16Å; L489-L493 HydrophobicContact CD1-CD1 3.79Å; L489-L493 HydrophobicContact CD1-CG 3.86Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.35Å; L489-L493 PolarHBondContact O-N 3.47Å; L489-L515 HydrophobicContact CD2-CD1 4.11Å; L489-L515 HydrophobicContact CD2-CD2 4.41Å; L489-L515 HydrophobicContact CG-CD2 4.37Å |
| 490 | M | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -52.8 | -45.4 | 177.5 | -179.4 | -161.9 | 61.5 | 0 | 0 | 110.9 | L486 E492 L493 L494 F512 L515 L523 Y526 I530 | L486-M490 VanDerWaalsContact O-CB 3.22Å; L486-M490 WeakPolarHBondContact O-CB 3.49Å; L486-M490 PolarHBondContact O-N 3.08Å; M490-E492 PolarHBondContact O-N 3.01Å; M490-L493 PolarHBondContact O-N 2.98Å; M490-L494 HydrophobicContact CG-CD1 3.94Å; M490-L494 WeakPolarHBondContact O-CB 3.46Å; M490-L494 WeakPolarHBondContact O-CD1 3.43Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.18Å; M490-F512 HydrophobicContact CB-CE2 4.31Å; M490-F512 HydrophobicContact CG-CE2 3.61Å; M490-F512 HydrophobicContact CG-CZ 3.8Å; M490-L515 HydrophobicContact CB-CD2 4.1Å; M490-L523 HydrophobicContact SD-CD2 4.13Å; M490-Y526 HydrophobicContact CE-CD1 3.69Å; M490-Y526 HydrophobicContact CE-CD2 4.03Å; M490-Y526 HydrophobicContact CE-CE1 4.31Å; M490-Y526 HydrophobicContact CE-CG 3.53Å; M490-Y526 VanDerWaalsContact SD-CB 3.55Å; M490-Y526 HydrophobicContact SD-CD1 4.49Å; M490-Y526 HydrophobicContact SD-CD2 3.89Å; M490-Y526 HydrophobicContact SD-CG 3.73Å; M490-I530 HydrophobicContact SD-CD1 3.95Å; M490-I530 HydrophobicContact SD-CG1 4.11Å |
| 491 | T | 98.2 | Very high | 97 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | -179.3 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | K487 P488 L489 K495 Y529 | K487-T491 VanDerWaalsContact O-CB 3.31Å; K487-T491 WeakPolarHBondContact O-CB 3.45Å; K487-T491 PolarHBondContact O-N 2.79Å; K487-T491 PolarHBondContact O-OG1 3.1Å; P488-T491 PolarHBondContact O-N 2.96Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.43Å; T491-K495 WeakPolarHBondContact O-CG 3.36Å; T491-K495 PolarHBondContact O-N 3.27Å; T491-Y529 HydrophobicContact CG2-CE1 4.3Å |
| 492 | E | 98.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.9 | -34.5 | 179.8 | -65 | -53.3 | 132.2 | 0 | 0 | 112.4 | I452 L455 P488 L489 M490 K495 R496 | I452-E492 HydrophobicContact CG2-CB 4.11Å; I452-E492 HydrophobicContact CG2-CG 3.62Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.59Å; P488-E492 PolarHBondContact O-N 2.94Å; L489-E492 PolarHBondContact O-N 3.29Å; L489-E492 VanDerWaalsContact O-N 3.16Å; M490-E492 PolarHBondContact O-N 3.01Å; E492-K495 WeakPolarHBondContact O-CB 3.49Å; E492-K495 PolarHBondContact O-N 3.32Å; E492-K495 IonicContact OE1-NZ 3.28Å; E492-K495 PolarHBondContact OE1-NZ 2.97Å; E492-K495 WeakPolarHBondContact OE2-CD 3.42Å; E492-K495 IonicContact OE2-NZ 2.75Å; E492-K495 PolarHBondContact OE2-NZ 3.24Å; E492-R496 WeakPolarHBondContact O-CG 3.25Å; E492-R496 PolarHBondContact O-N 3.42Å; E492-R496 VanDerWaalsContact O-N 3.15Å |
| 493 | L | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 171.9 | -75.3 | 177.4 | 0 | 0 | 0 | 111.7 | L455 C467 L489 M490 K495 R496 I497 A511 F512 L515 | L455-L493 HydrophobicContact CD1-CD2 4.21Å; L455-L493 HydrophobicContact CD1-CG 4.4Å; L455-L493 HydrophobicContact CD2-CD2 4.25Å; C467-L493 HydrophobicContact CB-CD2 4.26Å; L489-L493 HydrophobicContact CD1-CD1 3.79Å; L489-L493 HydrophobicContact CD1-CG 3.86Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.35Å; L489-L493 PolarHBondContact O-N 3.47Å; M490-L493 PolarHBondContact O-N 2.98Å; L493-K495 PolarHBondContact O-N 3.15Å; L493-R496 CarbonylContact O-C 3.05Å; L493-R496 WeakPolarHBondContact O-CA 3.45Å; L493-R496 WeakPolarHBondContact O-CB 3.35Å; L493-R496 PolarHBondContact O-N 3.17Å; L493-I497 PolarHBondContact O-N 3.42Å; L493-A511 HydrophobicContact CD2-CB 4.18Å; L493-F512 HydrophobicContact CB-CD2 3.8Å; L493-F512 HydrophobicContact CB-CE2 4.43Å; L493-F512 HydrophobicContact CD1-CD2 4.14Å; L493-L515 HydrophobicContact CD1-CD2 4.11Å |
| 494 | L | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.2 | -34.8 | 175.1 | -72.4 | 168 | 0 | 0 | 0 | 112.1 | M490 R496 I497 F512 Y529 I530 T533 | M490-L494 HydrophobicContact CG-CD1 3.94Å; M490-L494 WeakPolarHBondContact O-CB 3.46Å; M490-L494 WeakPolarHBondContact O-CD1 3.43Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.18Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 2.99Å; L494-I497 HydrophobicContact CD2-CD1 4.23Å; L494-F512 HydrophobicContact CD1-CE2 4.33Å; L494-F512 HydrophobicContact CD1-CZ 4.33Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 4.17Å; L494-F512 HydrophobicContact CD2-CE2 3.8Å; L494-F512 HydrophobicContact CD2-CZ 3.66Å; L494-F512 HydrophobicContact CG-CD2 4.46Å; L494-F512 HydrophobicContact CG-CE2 3.68Å; L494-F512 HydrophobicContact CG-CZ 3.94Å; L494-Y529 HydrophobicContact CB-CE1 4.41Å; L494-Y529 HydrophobicContact CD1-CD1 3.51Å; L494-Y529 HydrophobicContact CD1-CE1 3.41Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.41Å; L494-Y529 HydrophobicContact CD1-CG 4.28Å; L494-I530 HydrophobicContact CD1-CG1 4.17Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; L494-T533 HydrophobicContact CB-CG2 3.93Å; L494-T533 HydrophobicContact CD2-CG2 3.8Å; L494-T533 HydrophobicContact CG-CG2 4.46Å; L494-T533 WeakPolarHBondContact O-CG2 3.45Å |
| 495 | K | 98.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 24.8 Ų | 24.8 | 37% | 0.374 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -69.8 | -26.5 | 172.5 | -68.1 | 171.7 | -173 | 170.8 | 0 | 113.3 | T491 E492 L493 L498 | T491-K495 WeakPolarHBondContact O-CG 3.36Å; T491-K495 PolarHBondContact O-N 3.27Å; E492-K495 WeakPolarHBondContact O-CB 3.49Å; E492-K495 PolarHBondContact O-N 3.32Å; E492-K495 IonicContact OE1-NZ 3.28Å; E492-K495 PolarHBondContact OE1-NZ 2.97Å; E492-K495 WeakPolarHBondContact OE2-CD 3.42Å; E492-K495 IonicContact OE2-NZ 2.75Å; E492-K495 PolarHBondContact OE2-NZ 3.24Å; L493-K495 PolarHBondContact O-N 3.15Å; K495-L498 CarbonylContact O-C 3.28Å |
| 496 | R | 98.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 24 Ų | 24 | 14% | 0.143 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -85.6 | -27.6 | 177.1 | -67 | -58.6 | 90.8 | 96.9 | 1.7 | 113.1 | L455 S456 E492 L493 L494 L498 D499 V504 A508 | L455-R496 HydrophobicContact CB-CG 4.2Å; L455-R496 HydrophobicContact CD2-CG 4.35Å; L455-R496 VanDerWaalsContact O-CD 3.26Å; L455-R496 WeakPolarHBondContact O-CD 3.19Å; L455-R496 PolarHBondContact O-NH1 2.91Å; S456-R496 PolarHBondContact OG-NH1 3.05Å; E492-R496 WeakPolarHBondContact O-CG 3.25Å; E492-R496 PolarHBondContact O-N 3.42Å; E492-R496 VanDerWaalsContact O-N 3.15Å; L493-R496 CarbonylContact O-C 3.05Å; L493-R496 WeakPolarHBondContact O-CA 3.45Å; L493-R496 WeakPolarHBondContact O-CB 3.35Å; L493-R496 PolarHBondContact O-N 3.17Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 2.99Å; R496-L498 PolarHBondContact O-N 3.35Å; R496-L498 VanDerWaalsContact O-N 3.15Å; R496-D499 VanDerWaalsContact CD-OD2 3.24Å; R496-D499 WeakPolarHBondContact CD-OD2 3.45Å; R496-D499 IonicContact CZ-OD2 2.77Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 PolarHBondContact NE-OD2 3.34Å; R496-D499 WeakPolarHBondContact O-CB 3.5Å; R496-D499 PolarHBondContact O-N 3.49Å; R496-V504 HydrophobicContact CB-CG1 4.12Å; R496-V504 HydrophobicContact CG-CG1 4.36Å; R496-A508 VanDerWaalsContact C-CB 3.41Å; R496-A508 HydrophobicContact CB-CB 3.46Å; R496-A508 VanDerWaalsContact CB-CB 3.46Å |
| 497 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.7 | -31.9 | 163.7 | -72.8 | 177.9 | 0 | 0 | 0 | 110.1 | L493 L494 A508 F512 T533 L534 A537 Y541 | L493-I497 PolarHBondContact O-N 3.42Å; L494-I497 HydrophobicContact CD2-CD1 4.23Å; I497-A508 HydrophobicContact CG1-CB 4.03Å; I497-F512 HydrophobicContact CD1-CB 3.85Å; I497-F512 HydrophobicContact CD1-CD1 4.24Å; I497-F512 HydrophobicContact CD1-CD2 4.27Å; I497-F512 HydrophobicContact CD1-CG 3.86Å; I497-T533 HydrophobicContact CB-CG2 4.39Å; I497-T533 HydrophobicContact CG2-CG2 4.14Å; I497-L534 HydrophobicContact CD1-CD2 3.98Å; I497-L534 HydrophobicContact CG2-CD2 4.4Å; I497-A537 HydrophobicContact CG2-CB 4.04Å; I497-Y541 WeakPolarHBondContact CG2-OH 3.24Å; I497-Y541 WeakPolarHBondContact O-CE1 3.31Å; I497-Y541 PolarHBondContact O-OH 2.93Å |
| 498 | L | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 20.3 Ų | 20.3 | 24% | 0.236 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 21.2 | 175.8 | -55.2 | -176 | 0 | 0 | 0 | 114.4 | K495 R496 T533 F536 A537 K540 | K495-L498 CarbonylContact O-C 3.28Å; R496-L498 PolarHBondContact O-N 3.35Å; R496-L498 VanDerWaalsContact O-N 3.15Å; L498-T533 HydrophobicContact CD1-CG2 3.86Å; L498-T533 HydrophobicContact CD2-CG2 4.25Å; L498-T533 HydrophobicContact CG-CG2 3.78Å; L498-F536 HydrophobicContact CD1-CD1 3.64Å; L498-F536 HydrophobicContact CD1-CE1 4.3Å; L498-F536 HydrophobicContact CD1-CG 4.46Å; L498-F536 HydrophobicContact CD2-CD1 3.7Å; L498-F536 HydrophobicContact CG-CD1 4.26Å; L498-A537 HydrophobicContact CD2-CB 3.91Å; L498-K540 VanDerWaalsContact C-CE 3.5Å; L498-K540 WeakPolarHBondContact O-CE 3.47Å; L498-K540 PolarHBondContact O-NZ 2.98Å |
| 499 | D | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | trans | -63.6 | 153.2 | -179.4 | -158.8 | -81.2 | 0 | 0 | 0 | 112.5 | R463 R496 N501 V504 Q505 K540 | R463-D499 IonicContact CZ-OD1 2.7Å; R463-D499 IonicContact CZ-OD2 3.81Å; R463-D499 IonicContact NE-OD1 2.82Å; R463-D499 IonicContact NE-OD2 3.43Å; R463-D499 PolarHBondContact NE-OD2 3.01Å; R463-D499 IonicContact NH2-OD1 3.63Å; R463-D499 PolarHBondContact NH2-OD1 3.27Å; R463-D499 IonicContact NH2-OD2 3.97Å; R496-D499 VanDerWaalsContact CD-OD2 3.24Å; R496-D499 WeakPolarHBondContact CD-OD2 3.45Å; R496-D499 IonicContact CZ-OD2 2.77Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 PolarHBondContact NE-OD2 3.34Å; R496-D499 WeakPolarHBondContact O-CB 3.5Å; R496-D499 PolarHBondContact O-N 3.49Å; D499-N501 PolarHBondContact O-N 3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.34Å; D499-N501 PolarHBondContact OD1-N 3.47Å; D499-V504 HydrophobicContact CB-CB 3.85Å; D499-V504 HydrophobicContact CB-CG1 3.62Å; D499-V504 VanDerWaalsContact CG-CG1 3.47Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.36Å; D499-Q505 HydrophobicContact CB-CG 4.4Å; D499-Q505 WeakPolarHBondContact O-CG 3.47Å; D499-Q505 PolarHBondContact O-NE2 2.85Å; D499-K540 WeakPolarHBondContact O-CE 3.32Å; D499-K540 PolarHBondContact O-NZ 3.42Å | ||
| 500 | S | 96.5 | Very high | 97.2 | Very high | 29 Ų | 29 | 19.7 Ų | 19.7 | 20% | 0.203 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -74.5 | -11.7 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | E332 D333 E334 | E332-S500 WeakPolarHBondContact CA-O 3.36Å; D333-S500 PolarHBondContact N-O 3.42Å; E334-S500 WeakPolarHBondContact CB-O 3.33Å; E334-S500 PolarHBondContact N-O 2.89Å |
| 501 | N | 96 | Very high | 97.2 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.032 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -103.7 | 129 | 175.3 | -174.9 | -85.8 | 0 | 0 | 0 | 111.6 | V330 E331 D333 A460 D499 R503 V504 Q505 | V330-N501 PolarHBondContact O-ND2 3.5Å; E331-N501 WeakPolarHBondContact O-CB 3.18Å; D333-N501 VanDerWaalsContact OD1-CA 3.3Å; D333-N501 WeakPolarHBondContact OD1-CA 3.39Å; A460-N501 HydrophobicContact CB-CB 3.91Å; D499-N501 PolarHBondContact O-N 3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.34Å; D499-N501 PolarHBondContact OD1-N 3.47Å; N501-R503 PolarHBondContact O-N 3.34Å; N501-R503 WeakPolarHBondContact OD1-CA 3.45Å; N501-R503 WeakPolarHBondContact OD1-CB 3.26Å; N501-R503 PolarHBondContact OD1-N 3.13Å; N501-V504 HydrophobicContact CB-CB 4.18Å; N501-V504 HydrophobicContact CB-CG2 3.87Å; N501-V504 PolarHBondContact O-N 2.89Å; N501-V504 PolarHBondContact OD1-N 3.21Å; N501-V504 VanDerWaalsContact OD1-N 3.15Å; N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.46Å |
| 502 | K | 94.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 18.1 Ų | 18.1 | 9% | 0.087 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | -178.1 | -68.3 | 173.8 | 177 | -172.4 | 0 | 114.1 | D333 I336 D338 V504 Q505 E506 Q542 N545 | D333-K502 WeakPolarHBondContact O-CE 3.45Å; D333-K502 WeakPolarHBondContact OD1-CG 3.25Å; D333-K502 PolarHBondContact OD1-N 2.99Å; I336-K502 WeakPolarHBondContact O-CE 3.11Å; I336-K502 PolarHBondContact O-NZ 2.91Å; D338-K502 IonicContact OD1-NZ 2.72Å; D338-K502 PolarHBondContact OD1-NZ 3.2Å; K502-V504 VanDerWaalsContact C-N 3.27Å; K502-V504 PolarHBondContact O-N 3.16Å; K502-Q505 WeakPolarHBondContact O-CB 3.14Å; K502-Q505 PolarHBondContact O-N 2.85Å; K502-E506 WeakPolarHBondContact O-CB 3.38Å; K502-E506 PolarHBondContact O-N 3.39Å; K502-Q542 VanDerWaalsContact CE-CG 3.49Å; K502-N545 WeakPolarHBondContact CA-ND2 3.38Å; K502-N545 PolarHBondContact O-ND2 3.22Å |
| 503 | R | 92.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 16.6 Ų | 16.6 | 16% | 0.162 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.2 | 172.8 | -179.3 | -86.8 | 102.2 | 4.3 | 110.5 | L326 D375 T377 S464 N501 E506 A507 | L326-R503 PolarHBondContact O-NH1 3.32Å; D375-R503 IonicContact OD1-CZ 3.94Å; D375-R503 VanDerWaalsContact OD1-CZ 3.26Å; D375-R503 IonicContact OD1-NE 2.85Å; D375-R503 PolarHBondContact OD1-NE 2.67Å; D375-R503 IonicContact OD1-NH2 2.66Å; D375-R503 PolarHBondContact OD1-NH2 2.76Å; T377-R503 PolarHBondContact OG1-NH2 2.93Å; S464-R503 WeakPolarHBondContact OG-CG 3.47Å; N501-R503 PolarHBondContact O-N 3.34Å; N501-R503 WeakPolarHBondContact OD1-CA 3.45Å; N501-R503 WeakPolarHBondContact OD1-CB 3.26Å; N501-R503 PolarHBondContact OD1-N 3.13Å; R503-E506 PolarHBondContact O-N 2.85Å; R503-A507 WeakPolarHBondContact O-CB 3.28Å; R503-A507 PolarHBondContact O-N 3.46Å |
| 504 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 175.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | A460 R463 R496 D499 N501 K502 A508 | A460-V504 HydrophobicContact CB-CG2 3.81Å; A460-V504 VanDerWaalsContact O-CG2 3.25Å; A460-V504 WeakPolarHBondContact O-CG2 3.32Å; R463-V504 HydrophobicContact CB-CG1 3.83Å; R463-V504 HydrophobicContact CB-CG2 3.92Å; R496-V504 HydrophobicContact CB-CG1 4.12Å; R496-V504 HydrophobicContact CG-CG1 4.36Å; D499-V504 HydrophobicContact CB-CB 3.85Å; D499-V504 HydrophobicContact CB-CG1 3.62Å; D499-V504 VanDerWaalsContact CG-CG1 3.47Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.36Å; N501-V504 HydrophobicContact CB-CB 4.18Å; N501-V504 HydrophobicContact CB-CG2 3.87Å; N501-V504 PolarHBondContact O-N 2.89Å; N501-V504 PolarHBondContact OD1-N 3.21Å; N501-V504 VanDerWaalsContact OD1-N 3.15Å; K502-V504 VanDerWaalsContact C-N 3.27Å; K502-V504 PolarHBondContact O-N 3.16Å; V504-A508 WeakPolarHBondContact O-CB 3.15Å; V504-A508 PolarHBondContact O-N 3.46Å |
| 505 | Q | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 173.3 | -69.1 | 168.2 | 8.1 | 0 | 0 | 111.2 | D499 N501 K502 A508 C509 Y541 N545 | D499-Q505 HydrophobicContact CB-CG 4.4Å; D499-Q505 WeakPolarHBondContact O-CG 3.47Å; D499-Q505 PolarHBondContact O-NE2 2.85Å; N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.46Å; K502-Q505 WeakPolarHBondContact O-CB 3.14Å; K502-Q505 PolarHBondContact O-N 2.85Å; Q505-A508 PolarHBondContact O-N 3.36Å; Q505-C509 WeakPolarHBondContact O-CB 3.15Å; Q505-C509 PolarHBondContact O-N 3.26Å; Q505-Y541 HydrophobicContact CB-CE1 3.65Å; Q505-Y541 HydrophobicContact CG-CD1 4.4Å; Q505-Y541 HydrophobicContact CG-CE1 3.68Å; Q505-Y541 PolarHBondContact O-OH 2.98Å; Q505-N545 WeakPolarHBondContact CB-ND2 3.36Å; Q505-N545 PolarHBondContact OE1-ND2 3.08Å |
| 506 | E | 95.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 14.2 Ų | 14.2 | 8% | 0.075 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.8 | -60.3 | 175.4 | 159.4 | 165 | -141.6 | 0 | 0 | 111.2 | K502 R503 A508 C509 S510 K544 I548 | K502-E506 WeakPolarHBondContact O-CB 3.38Å; K502-E506 PolarHBondContact O-N 3.39Å; R503-E506 PolarHBondContact O-N 2.85Å; E506-A508 VanDerWaalsContact C-N 3.25Å; E506-A508 PolarHBondContact O-N 3.48Å; E506-C509 WeakPolarHBondContact O-CB 3.48Å; E506-C509 PolarHBondContact O-N 3.02Å; E506-S510 PolarHBondContact O-N 3.34Å; E506-S510 PolarHBondContact O-OG 2.95Å; E506-K544 WeakPolarHBondContact OE1-CE 3.42Å; E506-K544 IonicContact OE1-NZ 2.74Å; E506-K544 PolarHBondContact OE1-NZ 2.87Å; E506-K544 WeakPolarHBondContact OE2-CE 3.37Å; E506-K544 IonicContact OE2-NZ 3.61Å; E506-K544 PolarHBondContact OE2-NZ 2.91Å; E506-I548 HydrophobicContact CB-CD1 3.84Å; E506-I548 HydrophobicContact CG-CD1 3.52Å |
| 507 | A | 96.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60 | -35.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S464 C467 R503 A511 | S464-A507 WeakPolarHBondContact OG-CB 3.27Å; C467-A507 HydrophobicContact CB-CB 3.97Å; C467-A507 WeakPolarHBondContact CB-O 3.34Å; R503-A507 WeakPolarHBondContact O-CB 3.28Å; R503-A507 PolarHBondContact O-N 3.46Å; A507-A511 WeakPolarHBondContact O-CB 3.34Å; A507-A511 PolarHBondContact O-N 2.86Å |
| 508 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.4 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R496 I497 V504 Q505 E506 F512 | R496-A508 VanDerWaalsContact C-CB 3.41Å; R496-A508 HydrophobicContact CB-CB 3.46Å; R496-A508 VanDerWaalsContact CB-CB 3.46Å; I497-A508 HydrophobicContact CG1-CB 4.03Å; V504-A508 WeakPolarHBondContact O-CB 3.15Å; V504-A508 PolarHBondContact O-N 3.46Å; Q505-A508 PolarHBondContact O-N 3.36Å; E506-A508 VanDerWaalsContact C-N 3.25Å; E506-A508 PolarHBondContact O-N 3.48Å; A508-F512 VanDerWaalsContact O-CB 3.25Å; A508-F512 WeakPolarHBondContact O-CB 3.22Å; A508-F512 PolarHBondContact O-N 2.86Å |
| 509 | C | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.9 | -47.3 | 177.7 | -159.3 | 0 | 0 | 0 | 0 | 110.5 | Q505 E506 F512 A513 I548 A552 | Q505-C509 WeakPolarHBondContact O-CB 3.15Å; Q505-C509 PolarHBondContact O-N 3.26Å; E506-C509 WeakPolarHBondContact O-CB 3.48Å; E506-C509 PolarHBondContact O-N 3.02Å; C509-F512 WeakPolarHBondContact O-CB 3.45Å; C509-F512 PolarHBondContact O-N 3.1Å; C509-F512 VanDerWaalsContact O-N 3.12Å; C509-A513 PolarHBondContact O-N 3.18Å; C509-I548 HydrophobicContact CB-CG2 3.8Å; C509-A552 VanDerWaalsContact SG-CB 3.52Å |
| 510 | S | 95.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 20 Ų | 20 | 25% | 0.245 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 175.4 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | E506 F512 A513 T514 | E506-S510 PolarHBondContact O-N 3.34Å; E506-S510 PolarHBondContact O-OG 2.95Å; S510-F512 PolarHBondContact O-N 3.17Å; S510-A513 WeakPolarHBondContact O-CB 3.42Å; S510-A513 PolarHBondContact O-N 3.19Å; S510-A513 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-N 3.11Å; S510-T514 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-OG1 2.88Å |
| 511 | A | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -27.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C467 L493 A507 L515 | C467-A511 HydrophobicContact CB-CB 4Å; C467-A511 WeakPolarHBondContact O-CB 3.45Å; L493-A511 HydrophobicContact CD2-CB 4.18Å; A507-A511 WeakPolarHBondContact O-CB 3.34Å; A507-A511 PolarHBondContact O-N 2.86Å; A511-L515 PolarHBondContact O-N 3.43Å |
| 512 | F | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -77.4 | -36.5 | 176.3 | -157.7 | -94.8 | 0 | 0 | 0 | 111.9 | M490 L493 L494 I497 A508 C509 S510 L515 E516 I530 | M490-F512 HydrophobicContact CB-CE2 4.31Å; M490-F512 HydrophobicContact CG-CE2 3.61Å; M490-F512 HydrophobicContact CG-CZ 3.8Å; L493-F512 HydrophobicContact CB-CD2 3.8Å; L493-F512 HydrophobicContact CB-CE2 4.43Å; L493-F512 HydrophobicContact CD1-CD2 4.14Å; L494-F512 HydrophobicContact CD1-CE2 4.33Å; L494-F512 HydrophobicContact CD1-CZ 4.33Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 4.17Å; L494-F512 HydrophobicContact CD2-CE2 3.8Å; L494-F512 HydrophobicContact CD2-CZ 3.66Å; L494-F512 HydrophobicContact CG-CD2 4.46Å; L494-F512 HydrophobicContact CG-CE2 3.68Å; L494-F512 HydrophobicContact CG-CZ 3.94Å; I497-F512 HydrophobicContact CD1-CB 3.85Å; I497-F512 HydrophobicContact CD1-CD1 4.24Å; I497-F512 HydrophobicContact CD1-CD2 4.27Å; I497-F512 HydrophobicContact CD1-CG 3.86Å; A508-F512 VanDerWaalsContact O-CB 3.25Å; A508-F512 WeakPolarHBondContact O-CB 3.22Å; A508-F512 PolarHBondContact O-N 2.86Å; C509-F512 WeakPolarHBondContact O-CB 3.45Å; C509-F512 PolarHBondContact O-N 3.1Å; C509-F512 VanDerWaalsContact O-N 3.12Å; S510-F512 PolarHBondContact O-N 3.17Å; F512-L515 HydrophobicContact CD2-CD2 4.29Å; F512-L515 HydrophobicContact CE2-CD2 4.21Å; F512-L515 CarbonylContact O-C 3.52Å; F512-L515 WeakPolarHBondContact O-CA 3.37Å; F512-L515 WeakPolarHBondContact O-CB 3.49Å; F512-L515 PolarHBondContact O-N 2.86Å; F512-L515 VanDerWaalsContact O-N 3.1Å; F512-E516 HydrophobicContact CD1-CG 3.94Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.42Å; F512-E516 HydrophobicContact CE1-CG 3.92Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.35Å; F512-E516 VanDerWaalsContact O-CG 3.3Å; F512-E516 WeakPolarHBondContact O-CG 3.49Å; F512-E516 PolarHBondContact O-N 2.95Å; F512-I530 HydrophobicContact CE1-CD1 4.5Å; F512-I530 HydrophobicContact CE1-CG1 4.45Å; F512-I530 HydrophobicContact CE1-CG2 3.7Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 3.99Å; F512-I530 HydrophobicContact CZ-CG2 4.06Å |
| 513 | A | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C509 S510 L515 E516 E517 A552 T555 | C509-A513 PolarHBondContact O-N 3.18Å; S510-A513 WeakPolarHBondContact O-CB 3.42Å; S510-A513 PolarHBondContact O-N 3.19Å; S510-A513 VanDerWaalsContact O-N 3.16Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.83Å; A513-E516 WeakPolarHBondContact O-CB 3.24Å; A513-E516 PolarHBondContact O-N 3.09Å; A513-E517 PolarHBondContact O-N 3.05Å; A513-E517 VanDerWaalsContact O-N 3.08Å; A513-A552 HydrophobicContact CB-CB 4.4Å; A513-T555 HydrophobicContact CB-CG2 4.27Å |
| 514 | T | 96.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 24.1 Ų | 24.1 | 24% | 0.239 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 172.4 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | A474 S510 E516 E517 E518 | A474-T514 HydrophobicContact CB-CG2 4.35Å; S510-T514 PolarHBondContact O-N 3.11Å; S510-T514 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-OG1 2.88Å; T514-E516 VanDerWaalsContact C-N 3.31Å; T514-E516 PolarHBondContact O-N 3.29Å; T514-E517 PolarHBondContact O-N 2.98Å; T514-E518 WeakPolarHBondContact O-CG 3.11Å; T514-E518 PolarHBondContact O-N 3.24Å; T514-E518 VanDerWaalsContact O-N 3.12Å |
| 515 | L | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.7 | -34 | 177.1 | -173.7 | 65.5 | 0 | 0 | 0 | 112 | A474 V478 L486 L489 M490 L493 A511 F512 A513 A519 | A474-L515 HydrophobicContact CB-CD1 4.22Å; V478-L515 HydrophobicContact CG2-CD1 4.15Å; L486-L515 HydrophobicContact CD1-CD1 3.69Å; L486-L515 HydrophobicContact CD1-CD2 4.11Å; L486-L515 HydrophobicContact CD1-CG 4.1Å; L489-L515 HydrophobicContact CD2-CD1 4.11Å; L489-L515 HydrophobicContact CD2-CD2 4.41Å; L489-L515 HydrophobicContact CG-CD2 4.37Å; M490-L515 HydrophobicContact CB-CD2 4.1Å; L493-L515 HydrophobicContact CD1-CD2 4.11Å; A511-L515 PolarHBondContact O-N 3.43Å; F512-L515 HydrophobicContact CD2-CD2 4.29Å; F512-L515 HydrophobicContact CE2-CD2 4.21Å; F512-L515 CarbonylContact O-C 3.52Å; F512-L515 WeakPolarHBondContact O-CA 3.37Å; F512-L515 WeakPolarHBondContact O-CB 3.49Å; F512-L515 PolarHBondContact O-N 2.86Å; F512-L515 VanDerWaalsContact O-N 3.1Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.83Å; L515-A519 WeakPolarHBondContact O-CB 3.33Å; L515-A519 PolarHBondContact O-N 3.29Å |
| 516 | E | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 175.9 | -70.9 | 165.7 | 167 | 0 | 0 | 111.6 | F512 A513 T514 E518 A519 C520 L523 T555 L556 S559 | F512-E516 HydrophobicContact CD1-CG 3.94Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.42Å; F512-E516 HydrophobicContact CE1-CG 3.92Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.35Å; F512-E516 VanDerWaalsContact O-CG 3.3Å; F512-E516 WeakPolarHBondContact O-CG 3.49Å; F512-E516 PolarHBondContact O-N 2.95Å; A513-E516 WeakPolarHBondContact O-CB 3.24Å; A513-E516 PolarHBondContact O-N 3.09Å; T514-E516 VanDerWaalsContact C-N 3.31Å; T514-E516 PolarHBondContact O-N 3.29Å; E516-E518 PolarHBondContact O-N 3.22Å; E516-A519 PolarHBondContact O-N 3Å; E516-C520 PolarHBondContact O-N 2.82Å; E516-L523 HydrophobicContact CB-CD1 4.1Å; E516-L523 HydrophobicContact CG-CD1 3.69Å; E516-T555 HydrophobicContact CB-CG2 4.08Å; E516-L556 HydrophobicContact CG-CB 4.43Å; E516-L556 HydrophobicContact CG-CD1 3.96Å; E516-L556 WeakPolarHBondContact OE1-CB 3.31Å; E516-L556 PolarHBondContact OE2-N 2.89Å; E516-L556 VanDerWaalsContact OE2-N 3.09Å; E516-S559 WeakPolarHBondContact O-CB 3.46Å; E516-S559 PolarHBondContact O-OG 2.94Å |
| 517 | E | 95.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 30.3 Ų | 30.3 | 51% | 0.514 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 177 | -67.9 | 170.4 | -176.2 | 0 | 0 | 111.6 | A513 T514 C520 T555 | A513-E517 PolarHBondContact O-N 3.05Å; A513-E517 VanDerWaalsContact O-N 3.08Å; T514-E517 PolarHBondContact O-N 2.98Å; E517-C520 PolarHBondContact O-SG 3.38Å; E517-T555 HydrophobicContact CG-CG2 3.43Å; E517-T555 VanDerWaalsContact CG-CG2 3.43Å |
| 518 | E | 95.8 | Very high | 96.9 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71.2 | -39.1 | -179.9 | -70.3 | -69.2 | 169.4 | 0 | 0 | 112.4 | A474 H475 V478 T514 E516 | A474-E518 HydrophobicContact CB-CB 4.36Å; A474-E518 HydrophobicContact CB-CG 4.02Å; H475-E518 WeakPolarHBondContact CA-OE2 3.26Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CE1-OE2 3.22Å; H475-E518 IonicContact CG-OE2 3.82Å; H475-E518 IonicContact ND1-OE2 3.56Å; H475-E518 PolarHBondContact ND1-OE2 3.11Å; V478-E518 WeakPolarHBondContact CG1-O 3.16Å; V478-E518 HydrophobicContact CG2-CB 3.98Å; T514-E518 WeakPolarHBondContact O-CG 3.11Å; T514-E518 PolarHBondContact O-N 3.24Å; T514-E518 VanDerWaalsContact O-N 3.12Å; E516-E518 PolarHBondContact O-N 3.22Å |
| 519 | A | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85.5 | -28.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V478 L486 L515 E516 T521 E522 L523 | V478-A519 HydrophobicContact CG1-CB 4.44Å; V478-A519 HydrophobicContact CG2-CB 3.82Å; L486-A519 HydrophobicContact CD1-CB 4.34Å; L486-A519 HydrophobicContact CD2-CB 4.47Å; L515-A519 WeakPolarHBondContact O-CB 3.33Å; L515-A519 PolarHBondContact O-N 3.29Å; E516-A519 PolarHBondContact O-N 3Å; A519-T521 PolarHBondContact O-N 3.16Å; A519-T521 VanDerWaalsContact O-N 3.11Å; A519-E522 HydrophobicContact CB-CB 4.49Å; A519-E522 VanDerWaalsContact O-CB 3.28Å; A519-E522 WeakPolarHBondContact O-CB 3.44Å; A519-E522 PolarHBondContact O-N 2.84Å; A519-L523 HydrophobicContact CB-CD1 4.13Å; A519-L523 HydrophobicContact CB-CD2 3.83Å; A519-L523 HydrophobicContact CB-CG 3.65Å |
| 520 | C | 95.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | 44 | -117.4 | 179.6 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | E516 E517 E522 L523 | E516-C520 PolarHBondContact O-N 2.82Å; E517-C520 PolarHBondContact O-SG 3.38Å; C520-E522 VanDerWaalsContact C-N 3.26Å; C520-E522 PolarHBondContact O-N 3.35Å; C520-L523 PolarHBondContact O-N 3.21Å |
| 521 | T | 95.1 | Very high | 97 | Very high | 61 Ų | 61 | 34.9 Ų | 34.9 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -71.8 | -13.1 | -175.5 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | A519 L523 V524 | A519-T521 PolarHBondContact O-N 3.16Å; A519-T521 VanDerWaalsContact O-N 3.11Å; T521-L523 PolarHBondContact O-N 3.19Å; T521-V524 VanDerWaalsContact O-CB 3.32Å; T521-V524 WeakPolarHBondContact O-CB 3.43Å; T521-V524 WeakPolarHBondContact O-CG2 3.39Å; T521-V524 PolarHBondContact O-N 3.38Å; T521-V524 VanDerWaalsContact O-N 3.15Å |
| 522 | E | 95.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 39.6 Ų | 39.6 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -66.6 | -16.8 | 173.2 | -65.7 | -65.6 | 143.8 | 0 | 0 | 112.3 | L486 A519 C520 P525 | L486-E522 HydrophobicContact CD2-CB 4.15Å; A519-E522 HydrophobicContact CB-CB 4.49Å; A519-E522 VanDerWaalsContact O-CB 3.28Å; A519-E522 WeakPolarHBondContact O-CB 3.44Å; A519-E522 PolarHBondContact O-N 2.84Å; C520-E522 VanDerWaalsContact C-N 3.26Å; C520-E522 PolarHBondContact O-N 3.35Å; E522-P525 VanDerWaalsContact O-CD 3.29Å; E522-P525 WeakPolarHBondContact O-CD 3.49Å |
| 523 | L | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -80.9 | -14.9 | 175 | -63.3 | -176.3 | 0 | 0 | 0 | 114.1 | L486 M490 E516 A519 C520 T521 P525 Y526 L527 I530 L556 V560 | L486-L523 HydrophobicContact CD1-CD2 4.42Å; M490-L523 HydrophobicContact SD-CD2 4.13Å; E516-L523 HydrophobicContact CB-CD1 4.1Å; E516-L523 HydrophobicContact CG-CD1 3.69Å; A519-L523 HydrophobicContact CB-CD1 4.13Å; A519-L523 HydrophobicContact CB-CD2 3.83Å; A519-L523 HydrophobicContact CB-CG 3.65Å; C520-L523 PolarHBondContact O-N 3.21Å; T521-L523 PolarHBondContact O-N 3.19Å; L523-P525 VanDerWaalsContact C-N 3.34Å; L523-Y526 WeakPolarHBondContact O-CA 3.4Å; L523-Y526 PolarHBondContact O-N 3.19Å; L523-L527 PolarHBondContact O-N 3.29Å; L523-I530 HydrophobicContact CB-CD1 4.07Å; L523-I530 HydrophobicContact CD1-CD1 4.34Å; L523-I530 HydrophobicContact CD2-CD1 4.26Å; L523-I530 HydrophobicContact CG-CD1 4.46Å; L523-L556 HydrophobicContact CD1-CD1 4.27Å; L523-V560 HydrophobicContact CB-CG1 4.37Å |
| 524 | V | 97.5 | Very high | 97.2 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -52.1 | -42.2 | -176.6 | 173.6 | 0 | 0 | 0 | 0 | 113.5 | T521 Y526 L527 H563 | T521-V524 VanDerWaalsContact O-CB 3.32Å; T521-V524 WeakPolarHBondContact O-CB 3.43Å; T521-V524 WeakPolarHBondContact O-CG2 3.39Å; T521-V524 PolarHBondContact O-N 3.38Å; T521-V524 VanDerWaalsContact O-N 3.15Å; V524-Y526 PolarHBondContact O-N 3.2Å; V524-L527 HydrophobicContact CB-CD1 4.47Å; V524-L527 HydrophobicContact CG1-CD1 4.42Å; V524-L527 HydrophobicContact CG2-CD1 4.44Å; V524-H563 HydrophobicContact CG1-CB 4.2Å; V524-H563 HydrophobicContact CG2-CB 3.74Å; V524-H563 VanDerWaalsContact CG2-CD2 3.49Å; V524-H563 WeakPolarHBondContact CG2-CD2 3.44Å |
| 525 | P | 96.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 39.6 Ų | 39.6 | 66% | 0.656 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -63.3 | -19.4 | 176.7 | -22.5 | 35.6 | 0 | 0 | 0 | 114.5 | E522 L523 | E522-P525 VanDerWaalsContact O-CD 3.29Å; E522-P525 WeakPolarHBondContact O-CD 3.49Å; L523-P525 VanDerWaalsContact C-N 3.34Å |
| 526 | Y | 97.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 45 Ų | 45 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -109.8 | -4.8 | -172.3 | -49.1 | -69.5 | 0 | 0 | 0 | 113.7 | K487 M490 L523 V524 A528 Y529 I530 | K487-Y526 HydrophobicContact CD-CE1 4.17Å; K487-Y526 HydrophobicContact CG-CE1 4.27Å; M490-Y526 HydrophobicContact CE-CD1 3.69Å; M490-Y526 HydrophobicContact CE-CD2 4.03Å; M490-Y526 HydrophobicContact CE-CE1 4.31Å; M490-Y526 HydrophobicContact CE-CG 3.53Å; M490-Y526 VanDerWaalsContact SD-CB 3.55Å; M490-Y526 HydrophobicContact SD-CD1 4.49Å; M490-Y526 HydrophobicContact SD-CD2 3.89Å; M490-Y526 HydrophobicContact SD-CG 3.73Å; L523-Y526 WeakPolarHBondContact O-CA 3.4Å; L523-Y526 PolarHBondContact O-N 3.19Å; V524-Y526 PolarHBondContact O-N 3.2Å; Y526-A528 PolarHBondContact O-N 2.74Å; Y526-Y529 PolarHBondContact O-N 3.49Å; Y526-I530 PolarHBondContact O-N 3.47Å; Y526-I530 VanDerWaalsContact O-N 3.12Å |
| 527 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -47 | -40.7 | -176.2 | -79.9 | 174.1 | 0 | 0 | 0 | 114.6 | L523 V524 Y529 I530 L531 L556 V560 H563 L564 Y569 | L523-L527 PolarHBondContact O-N 3.29Å; V524-L527 HydrophobicContact CB-CD1 4.47Å; V524-L527 HydrophobicContact CG1-CD1 4.42Å; V524-L527 HydrophobicContact CG2-CD1 4.44Å; L527-Y529 VanDerWaalsContact C-N 3.29Å; L527-Y529 PolarHBondContact O-N 2.96Å; L527-I530 PolarHBondContact O-N 3.4Å; L527-L531 VanDerWaalsContact O-CB 3.3Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CG 3.34Å; L527-L531 PolarHBondContact O-N 2.96Å; L527-L556 HydrophobicContact CD2-CD1 4.05Å; L527-L556 HydrophobicContact CD2-CD2 4.34Å; L527-L556 HydrophobicContact CD2-CG 4.41Å; L527-V560 HydrophobicContact CD1-CG2 4.38Å; L527-V560 HydrophobicContact CD2-CG1 4.11Å; L527-V560 HydrophobicContact CD2-CG2 4.13Å; L527-H563 HydrophobicContact CD1-CB 4.28Å; L527-L564 HydrophobicContact CD2-CD1 4.48Å; L527-Y569 HydrophobicContact CB-CE1 4.34Å; L527-Y569 HydrophobicContact CB-CE2 3.94Å; L527-Y569 HydrophobicContact CD1-CD2 4.38Å; L527-Y569 HydrophobicContact CD1-CE2 3.86Å |
| 528 | A | 97.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y526 D532 Y569 | Y526-A528 PolarHBondContact O-N 2.74Å; A528-D532 WeakPolarHBondContact O-CB 3.29Å; A528-D532 PolarHBondContact O-N 3.07Å; A528-D532 VanDerWaalsContact O-N 3.16Å; A528-Y569 HydrophobicContact CB-CE1 4.01Å |
| 529 | Y | 98 | Very high | 97.3 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 35% | 0.349 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -77.3 | -38.7 | -179.8 | 179.5 | -134.8 | 0 | 0 | 0 | 112 | T491 L494 Y526 L527 T533 | T491-Y529 HydrophobicContact CG2-CE1 4.3Å; L494-Y529 HydrophobicContact CB-CE1 4.41Å; L494-Y529 HydrophobicContact CD1-CD1 3.51Å; L494-Y529 HydrophobicContact CD1-CE1 3.41Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.41Å; L494-Y529 HydrophobicContact CD1-CG 4.28Å; Y526-Y529 PolarHBondContact O-N 3.49Å; L527-Y529 VanDerWaalsContact C-N 3.29Å; L527-Y529 PolarHBondContact O-N 2.96Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.47Å |
| 530 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -54.8 | 175.3 | -61.9 | 172.6 | 0 | 0 | 0 | 109.5 | M490 L494 F512 L523 Y526 L527 D532 T533 L534 L556 | M490-I530 HydrophobicContact SD-CD1 3.95Å; M490-I530 HydrophobicContact SD-CG1 4.11Å; L494-I530 HydrophobicContact CD1-CG1 4.17Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; F512-I530 HydrophobicContact CE1-CD1 4.5Å; F512-I530 HydrophobicContact CE1-CG1 4.45Å; F512-I530 HydrophobicContact CE1-CG2 3.7Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 3.99Å; F512-I530 HydrophobicContact CZ-CG2 4.06Å; L523-I530 HydrophobicContact CB-CD1 4.07Å; L523-I530 HydrophobicContact CD1-CD1 4.34Å; L523-I530 HydrophobicContact CD2-CD1 4.26Å; L523-I530 HydrophobicContact CG-CD1 4.46Å; Y526-I530 PolarHBondContact O-N 3.47Å; Y526-I530 VanDerWaalsContact O-N 3.12Å; L527-I530 PolarHBondContact O-N 3.4Å; I530-D532 PolarHBondContact O-N 3.14Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 2.86Å; I530-T533 VanDerWaalsContact O-N 3.11Å; I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.24Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 3.21Å; I530-L556 HydrophobicContact CG2-CD1 4.33Å; I530-L556 HydrophobicContact CG2-CD2 3.79Å |
| 531 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -38.5 | -178.6 | -66.9 | 172.5 | 0 | 0 | 0 | 112.7 | L527 T533 L534 V535 L556 L564 Y569 M572 L573 | L527-L531 VanDerWaalsContact O-CB 3.3Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CG 3.34Å; L527-L531 PolarHBondContact O-N 2.96Å; L531-T533 VanDerWaalsContact C-N 3.26Å; L531-T533 PolarHBondContact O-N 2.85Å; L531-L534 PolarHBondContact O-N 3.5Å; L531-V535 WeakPolarHBondContact O-CB 3.35Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 2.91Å; L531-L556 HydrophobicContact CD2-CD2 3.81Å; L531-L564 HydrophobicContact CD1-CD1 3.79Å; L531-L564 HydrophobicContact CD2-CD1 4.09Å; L531-L564 HydrophobicContact CG-CD1 4.45Å; L531-Y569 HydrophobicContact CD1-CD1 3.64Å; L531-Y569 HydrophobicContact CD1-CD2 4.37Å; L531-Y569 HydrophobicContact CD1-CE1 4.48Å; L531-Y569 HydrophobicContact CD1-CG 3.6Å; L531-M572 HydrophobicContact CB-CE 3.88Å; L531-L573 HydrophobicContact CD2-CD1 4.35Å; L531-L573 HydrophobicContact CD2-CD2 4.44Å |
| 532 | D | 98.3 | Very high | 97.1 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.5 | -172.4 | 68.3 | 0 | 0 | 0 | 111.3 | A528 I530 F536 M572 | A528-D532 WeakPolarHBondContact O-CB 3.29Å; A528-D532 PolarHBondContact O-N 3.07Å; A528-D532 VanDerWaalsContact O-N 3.16Å; I530-D532 PolarHBondContact O-N 3.14Å; D532-F536 WeakPolarHBondContact O-CB 3.22Å; D532-F536 PolarHBondContact O-N 3.47Å; D532-M572 HydrophobicContact CB-CE 3.82Å; D532-M572 VanDerWaalsContact N-CE 3.33Å |
| 533 | T | 98.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69 | -51.2 | 178.4 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | L494 I497 L498 Y529 I530 L531 V535 F536 A537 | L494-T533 HydrophobicContact CB-CG2 3.93Å; L494-T533 HydrophobicContact CD2-CG2 3.8Å; L494-T533 HydrophobicContact CG-CG2 4.46Å; L494-T533 WeakPolarHBondContact O-CG2 3.45Å; I497-T533 HydrophobicContact CB-CG2 4.39Å; I497-T533 HydrophobicContact CG2-CG2 4.14Å; L498-T533 HydrophobicContact CD1-CG2 3.86Å; L498-T533 HydrophobicContact CD2-CG2 4.25Å; L498-T533 HydrophobicContact CG-CG2 3.78Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.47Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 2.86Å; I530-T533 VanDerWaalsContact O-N 3.11Å; L531-T533 VanDerWaalsContact C-N 3.26Å; L531-T533 PolarHBondContact O-N 2.85Å; T533-V535 VanDerWaalsContact C-N 3.32Å; T533-V535 PolarHBondContact O-N 3.5Å; T533-F536 PolarHBondContact O-N 3Å; T533-F536 VanDerWaalsContact O-N 3.16Å; T533-A537 PolarHBondContact O-N 3.06Å |
| 534 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -179.9 | -64 | 180 | 0 | 0 | 0 | 111.3 | I497 I530 L531 F536 A537 F538 L549 I553 L556 | I497-L534 HydrophobicContact CD1-CD2 3.98Å; I497-L534 HydrophobicContact CG2-CD2 4.4Å; I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.24Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 3.21Å; L531-L534 PolarHBondContact O-N 3.5Å; L534-F536 PolarHBondContact O-N 3.2Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.27Å; L534-F538 WeakPolarHBondContact O-CD2 3.39Å; L534-L549 HydrophobicContact CB-CD1 4.24Å; L534-L549 HydrophobicContact CD2-CD1 3.82Å; L534-I553 HydrophobicContact CB-CG1 4.41Å; L534-I553 HydrophobicContact CD1-CG1 4.07Å; L534-L556 HydrophobicContact CD1-CD2 3.9Å |
| 535 | V | 98 | Very high | 96.3 | Very high | 39 Ų | 39 | 41 Ų | 41 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | L531 T533 A537 F538 M572 P576 | L531-V535 WeakPolarHBondContact O-CB 3.35Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 2.91Å; T533-V535 VanDerWaalsContact C-N 3.32Å; T533-V535 PolarHBondContact O-N 3.5Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 3.37Å; V535-F538 WeakPolarHBondContact O-CB 3.45Å; V535-F538 PolarHBondContact O-N 2.7Å; V535-M572 HydrophobicContact CG2-CB 4.45Å; V535-M572 WeakPolarHBondContact CG2-O 3.45Å; V535-P576 HydrophobicContact CG1-CG 4.25Å; V535-P576 HydrophobicContact CG2-CG 4.35Å |
| 536 | F | 98 | Very high | 96.2 | Very high | 115 Ų | 115 | 37 Ų | 37 | 50% | 0.504 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.8 | -34.1 | 175.5 | -171.1 | -99.5 | 0 | 0 | 0 | 112.2 | L498 D532 T533 L534 F538 S539 | L498-F536 HydrophobicContact CD1-CD1 3.64Å; L498-F536 HydrophobicContact CD1-CE1 4.3Å; L498-F536 HydrophobicContact CD1-CG 4.46Å; L498-F536 HydrophobicContact CD2-CD1 3.7Å; L498-F536 HydrophobicContact CG-CD1 4.26Å; D532-F536 WeakPolarHBondContact O-CB 3.22Å; D532-F536 PolarHBondContact O-N 3.47Å; T533-F536 PolarHBondContact O-N 3Å; T533-F536 VanDerWaalsContact O-N 3.16Å; L534-F536 PolarHBondContact O-N 3.2Å; F536-F538 PolarHBondContact O-N 2.99Å; F536-S539 WeakPolarHBondContact O-CB 3.48Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.05Å |
| 537 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -32.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I497 L498 T533 L534 V535 S539 K540 Y541 L549 | I497-A537 HydrophobicContact CG2-CB 4.04Å; L498-A537 HydrophobicContact CD2-CB 3.91Å; T533-A537 PolarHBondContact O-N 3.06Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.27Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 3.37Å; A537-S539 PolarHBondContact O-N 3Å; A537-S539 VanDerWaalsContact O-N 3.07Å; A537-K540 PolarHBondContact O-N 3.15Å; A537-Y541 HydrophobicContact CB-CD1 4.21Å; A537-Y541 HydrophobicContact CB-CD2 4.49Å; A537-Y541 HydrophobicContact CB-CE1 4Å; A537-Y541 HydrophobicContact CB-CE2 4.32Å; A537-Y541 HydrophobicContact CB-CG 4.47Å; A537-Y541 PolarHBondContact O-N 3.2Å; A537-L549 HydrophobicContact CB-CD1 4Å; A537-L549 HydrophobicContact CB-CD2 3.81Å |
| 538 | F | 97 | Very high | 95.7 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.9 | 172.6 | -81.4 | -90.1 | 0 | 0 | 0 | 114.2 | L534 V535 F536 K540 L546 L549 Y550 I553 P576 L577 K580 | L534-F538 WeakPolarHBondContact O-CD2 3.39Å; V535-F538 WeakPolarHBondContact O-CB 3.45Å; V535-F538 PolarHBondContact O-N 2.7Å; F536-F538 PolarHBondContact O-N 2.99Å; F538-K540 VanDerWaalsContact C-N 3.34Å; F538-L546 HydrophobicContact CD1-CD1 3.77Å; F538-L546 HydrophobicContact CE1-CD1 3.91Å; F538-L549 HydrophobicContact CD1-CD2 4.34Å; F538-L549 HydrophobicContact CD2-CD2 3.69Å; F538-L549 HydrophobicContact CE1-CD2 4.47Å; F538-L549 HydrophobicContact CE2-CD2 3.86Å; F538-L549 HydrophobicContact CE2-CG 4.36Å; F538-L549 HydrophobicContact CG-CD2 3.95Å; F538-L549 HydrophobicContact CZ-CD2 4.23Å; F538-Y550 HydrophobicContact CE1-CD1 4.4Å; F538-Y550 AromaticContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CZ-CD1 4.38Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; F538-I553 HydrophobicContact CE2-CD1 3.43Å; F538-I553 VanDerWaalsContact CE2-CD1 3.43Å; F538-I553 HydrophobicContact CZ-CD1 3.64Å; F538-P576 HydrophobicContact CB-CB 4.46Å; F538-P576 HydrophobicContact CD1-CB 4.11Å; F538-P576 HydrophobicContact CD2-CB 4Å; F538-P576 HydrophobicContact CD2-CG 4.31Å; F538-P576 HydrophobicContact CE1-CB 4.33Å; F538-P576 HydrophobicContact CE2-CB 4.21Å; F538-P576 HydrophobicContact CE2-CG 4.28Å; F538-P576 HydrophobicContact CG-CB 3.94Å; F538-P576 HydrophobicContact CZ-CB 4.39Å; F538-L577 HydrophobicContact CE1-CD2 4.43Å; F538-L577 HydrophobicContact CZ-CD2 3.8Å; F538-L577 HydrophobicContact CZ-CG 4.39Å; F538-K580 HydrophobicContact CD1-CG 4.18Å; F538-K580 HydrophobicContact CE1-CG 4.08Å |
| 539 | S | 94.6 | Very high | 95.6 | Very high | 92 Ų | 92 | 34.4 Ų | 34.4 | 64% | 0.643 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.1 | 179.6 | 74.3 | 0 | 0 | 0 | 0 | 113.6 | F536 A537 | F536-S539 WeakPolarHBondContact O-CB 3.48Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.05Å; A537-S539 PolarHBondContact O-N 3Å; A537-S539 VanDerWaalsContact O-N 3.07Å |
| 540 | K | 95 | Very high | 95.5 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 14% | 0.143 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -35.6 | -172 | -166.9 | 178.4 | 171.7 | 102.2 | 0 | 112.5 | E334 L498 D499 A537 F538 | E334-K540 IonicContact OE1-NZ 3.95Å; E334-K540 PolarHBondContact OE1-NZ 2.89Å; E334-K540 WeakPolarHBondContact OE2-CE 3.49Å; E334-K540 VanDerWaalsContact OE2-CG 3.29Å; E334-K540 WeakPolarHBondContact OE2-CG 3.21Å; E334-K540 IonicContact OE2-NZ 2.9Å; E334-K540 PolarHBondContact OE2-NZ 3.14Å; L498-K540 VanDerWaalsContact C-CE 3.5Å; L498-K540 WeakPolarHBondContact O-CE 3.47Å; L498-K540 PolarHBondContact O-NZ 2.98Å; D499-K540 WeakPolarHBondContact O-CE 3.32Å; D499-K540 PolarHBondContact O-NZ 3.42Å; A537-K540 PolarHBondContact O-N 3.15Å; F538-K540 VanDerWaalsContact C-N 3.34Å |
| 541 | Y | 95.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | trans | -71.4 | 133.4 | -173.8 | -77.6 | 12.9 | 0 | 0 | 0 | 111.7 | I497 Q505 A537 N545 L549 | I497-Y541 WeakPolarHBondContact CG2-OH 3.24Å; I497-Y541 WeakPolarHBondContact O-CE1 3.31Å; I497-Y541 PolarHBondContact O-OH 2.93Å; Q505-Y541 HydrophobicContact CB-CE1 3.65Å; Q505-Y541 HydrophobicContact CG-CD1 4.4Å; Q505-Y541 HydrophobicContact CG-CE1 3.68Å; Q505-Y541 PolarHBondContact O-OH 2.98Å; A537-Y541 HydrophobicContact CB-CD1 4.21Å; A537-Y541 HydrophobicContact CB-CD2 4.49Å; A537-Y541 HydrophobicContact CB-CE1 4Å; A537-Y541 HydrophobicContact CB-CE2 4.32Å; A537-Y541 HydrophobicContact CB-CG 4.47Å; A537-Y541 PolarHBondContact O-N 3.2Å; Y541-N545 HydrophobicContact CD1-CB 4.25Å; Y541-N545 HydrophobicContact CD2-CB 3.52Å; Y541-N545 WeakPolarHBondContact CD2-O 3.28Å; Y541-N545 HydrophobicContact CE2-CB 3.88Å; Y541-N545 WeakPolarHBondContact CE2-O 3.48Å; Y541-N545 HydrophobicContact CG-CB 3.71Å; Y541-L549 HydrophobicContact CD2-CB 3.7Å; Y541-L549 HydrophobicContact CD2-CD2 3.95Å; Y541-L549 HydrophobicContact CD2-CG 4.33Å; Y541-L549 HydrophobicContact CE2-CB 3.78Å; Y541-L549 HydrophobicContact CE2-CD1 4.31Å; Y541-L549 HydrophobicContact CE2-CD2 4.35Å; Y541-L549 HydrophobicContact CE2-CG 4.37Å | ||
| 542 | Q | 93.5 | Very high | 95.2 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | trans | -77.7 | -176.5 | 164.5 | -57.2 | -58.3 | -37.3 | 0 | 0 | 109.6 | E334 I336 D338 K502 K544 L546 | E334-Q542 PolarHBondContact O-NE2 3.34Å; I336-Q542 WeakPolarHBondContact O-CG 3.42Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.44Å; K502-Q542 VanDerWaalsContact CE-CG 3.49Å; Q542-K544 PolarHBondContact O-N 3.46Å; Q542-L546 VanDerWaalsContact O-CB 3.27Å; Q542-L546 WeakPolarHBondContact O-CB 3.42Å; Q542-L546 PolarHBondContact O-N 3.32Å | ||
| 543 | H | 90.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -55 | -52.3 | -172.4 | -177.5 | -168.9 | 0 | 0 | 0 | 112.7 | D338 I343 L546 D590 | D338-H543 WeakPolarHBondContact OD2-CA 3.45Å; D338-H543 WeakPolarHBondContact OD2-CB 3.43Å; D338-H543 PolarHBondContact OD2-N 3.14Å; I343-H543 HydrophobicContact CD1-CB 4.48Å; I343-H543 WeakPolarHBondContact CD1-ND1 3.41Å; H543-L546 WeakPolarHBondContact O-CB 3.34Å; H543-L546 PolarHBondContact O-N 3.2Å; H543-D590 IonicContact CD2-OD1 2.94Å; H543-D590 IonicContact CD2-OD2 3.88Å; H543-D590 IonicContact CE1-OD1 3.01Å; H543-D590 IonicContact CE1-OD2 2.72Å; H543-D590 PolarHBondContact CE1-OD2 2.84Å; H543-D590 IonicContact NE2-OD1 2.92Å; H543-D590 PolarHBondContact NE2-OD1 3.4Å; H543-D590 IonicContact NE2-OD2 2.74Å; H543-D590 PolarHBondContact NE2-OD2 3.43Å |
| 544 | K | 88.8 | Confident | 95.1 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -56.3 | -176.6 | -172.7 | -171.8 | 173.8 | -167.7 | 0 | 111.4 | D338 D376 E506 Q542 L546 L547 | D338-K544 PolarHBondContact OD2-N 3.07Å; D376-K544 WeakPolarHBondContact OD2-CE 3.39Å; D376-K544 IonicContact OD2-NZ 3.53Å; D376-K544 PolarHBondContact OD2-NZ 3.3Å; E506-K544 WeakPolarHBondContact OE1-CE 3.42Å; E506-K544 IonicContact OE1-NZ 2.74Å; E506-K544 PolarHBondContact OE1-NZ 2.87Å; E506-K544 WeakPolarHBondContact OE2-CE 3.37Å; E506-K544 IonicContact OE2-NZ 3.61Å; E506-K544 PolarHBondContact OE2-NZ 2.91Å; Q542-K544 PolarHBondContact O-N 3.46Å; K544-L546 VanDerWaalsContact C-N 3.27Å; K544-L546 PolarHBondContact O-N 2.93Å; K544-L547 WeakPolarHBondContact O-CB 3.46Å; K544-L547 PolarHBondContact O-N 3.44Å; K544-L547 VanDerWaalsContact O-N 3.1Å |
| 545 | N | 93.7 | Very high | 95 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67 | -28.5 | -175.9 | -67 | -0.5 | 0 | 0 | 0 | 112.6 | K502 Q505 Y541 L547 I548 L549 | K502-N545 WeakPolarHBondContact CA-ND2 3.38Å; K502-N545 PolarHBondContact O-ND2 3.22Å; Q505-N545 WeakPolarHBondContact CB-ND2 3.36Å; Q505-N545 PolarHBondContact OE1-ND2 3.08Å; Y541-N545 HydrophobicContact CD1-CB 4.25Å; Y541-N545 HydrophobicContact CD2-CB 3.52Å; Y541-N545 WeakPolarHBondContact CD2-O 3.28Å; Y541-N545 HydrophobicContact CE2-CB 3.88Å; Y541-N545 WeakPolarHBondContact CE2-O 3.48Å; Y541-N545 HydrophobicContact CG-CB 3.71Å; N545-L547 PolarHBondContact O-N 3.46Å; N545-I548 PolarHBondContact O-N 3.26Å; N545-L549 PolarHBondContact O-N 2.86Å |
| 546 | L | 95 | Very high | 95 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.3 | -32.6 | 175.1 | 178.9 | 64.1 | 0 | 0 | 0 | 111.8 | F538 Q542 H543 K544 L549 Y550 K580 | F538-L546 HydrophobicContact CD1-CD1 3.77Å; F538-L546 HydrophobicContact CE1-CD1 3.91Å; Q542-L546 VanDerWaalsContact O-CB 3.27Å; Q542-L546 WeakPolarHBondContact O-CB 3.42Å; Q542-L546 PolarHBondContact O-N 3.32Å; H543-L546 WeakPolarHBondContact O-CB 3.34Å; H543-L546 PolarHBondContact O-N 3.2Å; K544-L546 VanDerWaalsContact C-N 3.27Å; K544-L546 PolarHBondContact O-N 2.93Å; L546-L549 HydrophobicContact CD1-CD2 4.35Å; L546-L549 PolarHBondContact O-N 3.49Å; L546-Y550 HydrophobicContact CD1-CE1 4.16Å; L546-Y550 HydrophobicContact CD1-CE2 4.36Å; L546-Y550 HydrophobicContact CD2-CE2 4.39Å; L546-Y550 HydrophobicContact CG-CE2 3.85Å; L546-Y550 VanDerWaalsContact O-CD2 3.26Å; L546-Y550 WeakPolarHBondContact O-CD2 3.4Å; L546-Y550 PolarHBondContact O-N 3.16Å; L546-K580 HydrophobicContact CD2-CD 4.08Å; L546-K580 VanDerWaalsContact CD2-NZ 3.33Å |
| 547 | L | 92 | Very high | 95.1 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 178.2 | -52.5 | -174.6 | 0 | 0 | 0 | 111.8 | R346 K544 N545 L549 Y550 D551 P593 | R346-L547 HydrophobicContact CG-CD1 4.4Å; K544-L547 WeakPolarHBondContact O-CB 3.46Å; K544-L547 PolarHBondContact O-N 3.44Å; K544-L547 VanDerWaalsContact O-N 3.1Å; N545-L547 PolarHBondContact O-N 3.46Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L547-Y550 HydrophobicContact CD2-CD2 4.3Å; L547-Y550 HydrophobicContact CD2-CE2 4.2Å; L547-Y550 PolarHBondContact O-N 2.83Å; L547-D551 PolarHBondContact O-N 3.27Å; L547-P593 HydrophobicContact CD2-CG 4.24Å |
| 548 | I | 91.7 | Very high | 95 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.6 | -32.4 | 176 | -50.7 | 176.3 | 0 | 0 | 0 | 110.7 | E506 C509 N545 Y550 D551 A552 | E506-I548 HydrophobicContact CB-CD1 3.84Å; E506-I548 HydrophobicContact CG-CD1 3.52Å; C509-I548 HydrophobicContact CB-CG2 3.8Å; N545-I548 PolarHBondContact O-N 3.26Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.49Å; I548-D551 WeakPolarHBondContact O-CB 3.31Å; I548-D551 PolarHBondContact O-N 3.33Å; I548-A552 PolarHBondContact O-N 2.94Å |
| 549 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 173.5 | -176.2 | 61.3 | 0 | 0 | 0 | 112.5 | L534 A537 F538 Y541 N545 L546 L547 D551 I553 | L534-L549 HydrophobicContact CB-CD1 4.24Å; L534-L549 HydrophobicContact CD2-CD1 3.82Å; A537-L549 HydrophobicContact CB-CD1 4Å; A537-L549 HydrophobicContact CB-CD2 3.81Å; F538-L549 HydrophobicContact CD1-CD2 4.34Å; F538-L549 HydrophobicContact CD2-CD2 3.69Å; F538-L549 HydrophobicContact CE1-CD2 4.47Å; F538-L549 HydrophobicContact CE2-CD2 3.86Å; F538-L549 HydrophobicContact CE2-CG 4.36Å; F538-L549 HydrophobicContact CG-CD2 3.95Å; F538-L549 HydrophobicContact CZ-CD2 4.23Å; Y541-L549 HydrophobicContact CD2-CB 3.7Å; Y541-L549 HydrophobicContact CD2-CD2 3.95Å; Y541-L549 HydrophobicContact CD2-CG 4.33Å; Y541-L549 HydrophobicContact CE2-CB 3.78Å; Y541-L549 HydrophobicContact CE2-CD1 4.31Å; Y541-L549 HydrophobicContact CE2-CD2 4.35Å; Y541-L549 HydrophobicContact CE2-CG 4.37Å; N545-L549 PolarHBondContact O-N 2.86Å; L546-L549 HydrophobicContact CD1-CD2 4.35Å; L546-L549 PolarHBondContact O-N 3.49Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-I553 HydrophobicContact CD1-CD1 4.26Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CB 3.45Å; L549-I553 WeakPolarHBondContact O-CD1 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.15Å |
| 550 | Y | 96.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.8 | -65.1 | -45.5 | 0 | 0 | 0 | 111.7 | F538 L546 L547 I548 I553 G554 L577 K580 P593 L594 C597 | F538-Y550 HydrophobicContact CE1-CD1 4.4Å; F538-Y550 AromaticContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CZ-CD1 4.38Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; L546-Y550 HydrophobicContact CD1-CE1 4.16Å; L546-Y550 HydrophobicContact CD1-CE2 4.36Å; L546-Y550 HydrophobicContact CD2-CE2 4.39Å; L546-Y550 HydrophobicContact CG-CE2 3.85Å; L546-Y550 VanDerWaalsContact O-CD2 3.26Å; L546-Y550 WeakPolarHBondContact O-CD2 3.4Å; L546-Y550 PolarHBondContact O-N 3.16Å; L547-Y550 HydrophobicContact CD2-CD2 4.3Å; L547-Y550 HydrophobicContact CD2-CE2 4.2Å; L547-Y550 PolarHBondContact O-N 2.83Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.49Å; Y550-I553 PolarHBondContact O-N 2.95Å; Y550-G554 PolarHBondContact O-N 3.48Å; Y550-L577 HydrophobicContact CD1-CD2 4.15Å; Y550-L577 HydrophobicContact CE1-CD2 4.18Å; Y550-K580 WeakPolarHBondContact OH-CB 3.32Å; Y550-K580 VanDerWaalsContact OH-CG 3.32Å; Y550-K580 WeakPolarHBondContact OH-CG 3.43Å; Y550-P593 HydrophobicContact CD2-CB 4.01Å; Y550-L594 HydrophobicContact CD1-CD1 4.03Å; Y550-L594 HydrophobicContact CD2-CB 4.47Å; Y550-L594 HydrophobicContact CE1-CD1 3.69Å; Y550-L594 HydrophobicContact CE2-CB 4.25Å; Y550-C597 WeakPolarHBondContact O-CB 3.13Å; Y550-C597 PolarHBondContact O-SG 2.95Å |
| 551 | D | 92.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 21.2 Ų | 21.2 | 46% | 0.46 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58.9 | -56.3 | 176.6 | -172.8 | 65.3 | 0 | 0 | 0 | 110.9 | L547 I548 L549 I553 G554 T555 | L547-D551 PolarHBondContact O-N 3.27Å; I548-D551 WeakPolarHBondContact O-CB 3.31Å; I548-D551 PolarHBondContact O-N 3.33Å; L549-D551 VanDerWaalsContact C-N 3.32Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.39Å; D551-I553 VanDerWaalsContact O-N 3.16Å; D551-G554 CarbonylContact O-C 3.6Å; D551-G554 WeakPolarHBondContact O-CA 3.28Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-T555 PolarHBondContact O-N 3.24Å; D551-T555 PolarHBondContact O-OG1 3.43Å; D551-T555 VanDerWaalsContact O-OG1 3.12Å |
| 552 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.6 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | C509 A513 I548 L556 | C509-A552 VanDerWaalsContact SG-CB 3.52Å; A513-A552 HydrophobicContact CB-CB 4.4Å; I548-A552 PolarHBondContact O-N 2.94Å; A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.25Å |
| 553 | I | 98.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 175 | -71.4 | 166.6 | 0 | 0 | 0 | 111.8 | L534 F538 L549 Y550 D551 A557 L573 C597 V601 | L534-I553 HydrophobicContact CB-CG1 4.41Å; L534-I553 HydrophobicContact CD1-CG1 4.07Å; F538-I553 HydrophobicContact CE2-CD1 3.43Å; F538-I553 VanDerWaalsContact CE2-CD1 3.43Å; F538-I553 HydrophobicContact CZ-CD1 3.64Å; L549-I553 HydrophobicContact CD1-CD1 4.26Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CB 3.45Å; L549-I553 WeakPolarHBondContact O-CD1 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.15Å; Y550-I553 PolarHBondContact O-N 2.95Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.39Å; D551-I553 VanDerWaalsContact O-N 3.16Å; I553-A557 WeakPolarHBondContact O-CB 3.23Å; I553-A557 PolarHBondContact O-N 3Å; I553-A557 VanDerWaalsContact O-N 3.08Å; I553-L573 HydrophobicContact CD1-CD1 4.27Å; I553-L573 HydrophobicContact CG1-CD1 4.47Å; I553-L573 HydrophobicContact CG2-CD1 3.82Å; I553-L573 HydrophobicContact CG2-CD2 4.38Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; I553-V601 HydrophobicContact CG2-CG2 3.93Å |
| 554 | G | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -50.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y550 D551 L556 A557 D558 S600 | Y550-G554 PolarHBondContact O-N 3.48Å; D551-G554 CarbonylContact O-C 3.6Å; D551-G554 WeakPolarHBondContact O-CA 3.28Å; D551-G554 PolarHBondContact O-N 3.3Å; G554-L556 PolarHBondContact O-N 3.07Å; G554-A557 WeakPolarHBondContact O-CA 3.07Å; G554-A557 WeakPolarHBondContact O-CB 3.44Å; G554-A557 PolarHBondContact O-N 3.45Å; G554-D558 PolarHBondContact O-N 3.02Å; G554-S600 WeakPolarHBondContact O-CB 3.3Å |
| 555 | T | 96.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | A513 E516 E517 D551 A557 D558 S559 | A513-T555 HydrophobicContact CB-CG2 4.27Å; E516-T555 HydrophobicContact CB-CG2 4.08Å; E517-T555 HydrophobicContact CG-CG2 3.43Å; E517-T555 VanDerWaalsContact CG-CG2 3.43Å; D551-T555 PolarHBondContact O-N 3.24Å; D551-T555 PolarHBondContact O-OG1 3.43Å; D551-T555 VanDerWaalsContact O-OG1 3.12Å; T555-A557 VanDerWaalsContact C-N 3.29Å; T555-A557 PolarHBondContact O-N 3.48Å; T555-D558 PolarHBondContact O-N 2.98Å; T555-S559 WeakPolarHBondContact O-CB 3.16Å; T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 2.93Å |
| 556 | L | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 172.1 | -175.4 | 64.2 | 0 | 0 | 0 | 111.9 | E516 L523 L527 I530 L531 L534 A552 G554 S559 V560 | E516-L556 HydrophobicContact CG-CB 4.43Å; E516-L556 HydrophobicContact CG-CD1 3.96Å; E516-L556 WeakPolarHBondContact OE1-CB 3.31Å; E516-L556 PolarHBondContact OE2-N 2.89Å; E516-L556 VanDerWaalsContact OE2-N 3.09Å; L523-L556 HydrophobicContact CD1-CD1 4.27Å; L527-L556 HydrophobicContact CD2-CD1 4.05Å; L527-L556 HydrophobicContact CD2-CD2 4.34Å; L527-L556 HydrophobicContact CD2-CG 4.41Å; I530-L556 HydrophobicContact CG2-CD1 4.33Å; I530-L556 HydrophobicContact CG2-CD2 3.79Å; L531-L556 HydrophobicContact CD2-CD2 3.81Å; L534-L556 HydrophobicContact CD1-CD2 3.9Å; A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.25Å; G554-L556 PolarHBondContact O-N 3.07Å; L556-S559 PolarHBondContact O-N 3Å; L556-V560 HydrophobicContact CD1-CG1 3.96Å; L556-V560 VanDerWaalsContact O-CG2 3.28Å; L556-V560 WeakPolarHBondContact O-CG2 3.42Å; L556-V560 PolarHBondContact O-N 3.19Å |
| 557 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I553 G554 T555 G561 L564 V601 A604 | I553-A557 WeakPolarHBondContact O-CB 3.23Å; I553-A557 PolarHBondContact O-N 3Å; I553-A557 VanDerWaalsContact O-N 3.08Å; G554-A557 WeakPolarHBondContact O-CA 3.07Å; G554-A557 WeakPolarHBondContact O-CB 3.44Å; G554-A557 PolarHBondContact O-N 3.45Å; T555-A557 VanDerWaalsContact C-N 3.29Å; T555-A557 PolarHBondContact O-N 3.48Å; A557-G561 VanDerWaalsContact O-CA 3.28Å; A557-G561 WeakPolarHBondContact O-CA 3.35Å; A557-G561 PolarHBondContact O-N 3.43Å; A557-L564 HydrophobicContact CB-CD2 4.05Å; A557-V601 HydrophobicContact CB-CG2 3.99Å; A557-A604 HydrophobicContact CB-CB 3.87Å; A557-A604 WeakPolarHBondContact O-CB 3.33Å |
| 558 | D | 96.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 175.7 | -71.8 | -35 | 0 | 0 | 0 | 111.6 | G554 T555 S600 | G554-D558 PolarHBondContact O-N 3.02Å; T555-D558 PolarHBondContact O-N 2.98Å; D558-S600 VanDerWaalsContact CG-CB 3.47Å; D558-S600 VanDerWaalsContact CG-OG 3.28Å; D558-S600 VanDerWaalsContact OD1-CB 3.29Å; D558-S600 WeakPolarHBondContact OD1-CB 3.32Å; D558-S600 PolarHBondContact OD1-OG 3.35Å; D558-S600 VanDerWaalsContact OD2-CB 3.23Å; D558-S600 WeakPolarHBondContact OD2-CB 3.38Å; D558-S600 PolarHBondContact OD2-OG 3.14Å |
| 559 | S | 96.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 12% | 0.119 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.8 | -38.7 | -177.7 | -61.3 | 0 | 0 | 0 | 0 | 114 | E516 T555 L556 | E516-S559 WeakPolarHBondContact O-CB 3.46Å; E516-S559 PolarHBondContact O-OG 2.94Å; T555-S559 WeakPolarHBondContact O-CB 3.16Å; T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 2.93Å; L556-S559 PolarHBondContact O-N 3Å |
| 560 | V | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -103.2 | -16.2 | -177.6 | -49.1 | 0 | 0 | 0 | 0 | 113.8 | L523 L527 L556 H562 H563 L564 | L523-V560 HydrophobicContact CB-CG1 4.37Å; L527-V560 HydrophobicContact CD1-CG2 4.38Å; L527-V560 HydrophobicContact CD2-CG1 4.11Å; L527-V560 HydrophobicContact CD2-CG2 4.13Å; L556-V560 HydrophobicContact CD1-CG1 3.96Å; L556-V560 VanDerWaalsContact O-CG2 3.28Å; L556-V560 WeakPolarHBondContact O-CG2 3.42Å; L556-V560 PolarHBondContact O-N 3.19Å; V560-H562 PolarHBondContact O-N 2.82Å; V560-H563 WeakPolarHBondContact O-CB 3.18Å; V560-H563 PolarHBondContact O-CD2 3.27Å; V560-H563 VanDerWaalsContact O-CD2 3.32Å; V560-H563 PolarHBondContact O-N 3.48Å; V560-L564 HydrophobicContact CG2-CB 4Å |
| 561 | G | 95.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 48.6 | -130.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A557 H563 L564 | A557-G561 VanDerWaalsContact O-CA 3.28Å; A557-G561 WeakPolarHBondContact O-CA 3.35Å; A557-G561 PolarHBondContact O-N 3.43Å; G561-H563 PolarHBondContact O-N 2.9Å; G561-L564 WeakPolarHBondContact O-CB 3.33Å; G561-L564 PolarHBondContact O-N 2.66Å |
| 562 | H | 96.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 39.1 Ų | 39.1 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -57.7 | -15.5 | -174.6 | 76.3 | -73.6 | 0 | 0 | 0 | 115.3 | V560 L564 N565 A604 | V560-H562 PolarHBondContact O-N 2.82Å; H562-L564 PolarHBondContact O-N 2.84Å; H562-N565 WeakPolarHBondContact O-CB 3.35Å; H562-N565 PolarHBondContact O-N 3.23Å; H562-N565 VanDerWaalsContact O-N 3.08Å; H562-A604 WeakPolarHBondContact CA-O 3.47Å |
| 563 | H | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -64.7 | -21.8 | 174 | -67.9 | -59.2 | 0 | 0 | 0 | 113 | V524 L527 V560 G561 N565 | V524-H563 HydrophobicContact CG1-CB 4.2Å; V524-H563 HydrophobicContact CG2-CB 3.74Å; V524-H563 VanDerWaalsContact CG2-CD2 3.49Å; V524-H563 WeakPolarHBondContact CG2-CD2 3.44Å; L527-H563 HydrophobicContact CD1-CB 4.28Å; V560-H563 WeakPolarHBondContact O-CB 3.18Å; V560-H563 PolarHBondContact O-CD2 3.27Å; V560-H563 VanDerWaalsContact O-CD2 3.32Å; V560-H563 PolarHBondContact O-N 3.48Å; G561-H563 PolarHBondContact O-N 2.9Å; H563-N565 VanDerWaalsContact C-N 3.31Å |
| 564 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -74.5 | -20.3 | 174.1 | -161.4 | 64.5 | 0 | 0 | 0 | 112.7 | L527 L531 A557 V560 G561 H562 K566 L573 A604 L605 | L527-L564 HydrophobicContact CD2-CD1 4.48Å; L531-L564 HydrophobicContact CD1-CD1 3.79Å; L531-L564 HydrophobicContact CD2-CD1 4.09Å; L531-L564 HydrophobicContact CG-CD1 4.45Å; A557-L564 HydrophobicContact CB-CD2 4.05Å; V560-L564 HydrophobicContact CG2-CB 4Å; G561-L564 WeakPolarHBondContact O-CB 3.33Å; G561-L564 PolarHBondContact O-N 2.66Å; H562-L564 PolarHBondContact O-N 2.84Å; L564-K566 PolarHBondContact O-N 2.94Å; L564-L573 HydrophobicContact CD2-CD2 3.89Å; L564-A604 HydrophobicContact CB-CB 4.42Å; L564-A604 HydrophobicContact CD2-CB 4.25Å; L564-L605 HydrophobicContact CB-CD2 4Å; L564-L605 HydrophobicContact CD2-CD2 3.97Å; L564-L605 HydrophobicContact CG-CD2 3.69Å; L564-L605 WeakPolarHBondContact O-CD2 3.44Å |
| 565 | N | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 42 Ų | 42 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | trans | -75 | 61.9 | 178 | -173.9 | 13 | 0 | 0 | 0 | 112.3 | H562 H563 L605 | H562-N565 WeakPolarHBondContact O-CB 3.35Å; H562-N565 PolarHBondContact O-N 3.23Å; H562-N565 VanDerWaalsContact O-N 3.08Å; H563-N565 VanDerWaalsContact C-N 3.31Å; N565-L605 WeakPolarHBondContact CB-O 3.4Å; N565-L605 PolarHBondContact ND2-O 2.78Å; N565-L605 VanDerWaalsContact ND2-O 3.15Å; N565-L605 PolarHBondContact OD1-O 3.41Å; N565-L605 VanDerWaalsContact OD1-O 3.12Å | ||
| 566 | K | 97.8 | Very high | 97.6 | Very high | 72 Ų | 72 | 42 Ų | 42 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -121.7 | 141 | 168.9 | -60.4 | -171.8 | -167.2 | 164.2 | 0 | 110.3 | L564 E568 Y569 I570 | L564-K566 PolarHBondContact O-N 2.94Å; K566-E568 HydrophobicContact CB-CG 4.23Å; K566-E568 WeakPolarHBondContact CD-OE1 3.49Å; K566-E568 PolarHBondContact O-N 2.96Å; K566-E568 VanDerWaalsContact O-N 3.13Å; K566-Y569 HydrophobicContact CB-CD2 3.83Å; K566-Y569 HydrophobicContact CB-CE2 4.23Å; K566-Y569 HydrophobicContact CB-CG 4.32Å; K566-Y569 HydrophobicContact CD-CD2 4.08Å; K566-Y569 HydrophobicContact CD-CE2 3.63Å; K566-Y569 HydrophobicContact CG-CD2 4.1Å; K566-Y569 HydrophobicContact CG-CE2 4.14Å; K566-Y569 PolarHBondContact O-N 3.36Å; K566-I570 VanDerWaalsContact O-CG1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.42Å; K566-I570 PolarHBondContact O-N 2.96Å |
| 567 | P | 97.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 42 Ų | 42 | 53% | 0.532 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.4 | -39.2 | -177 | -28.1 | 35.3 | 0 | 0 | 0 | 114.2 | Q571 | P567-Q571 WeakPolarHBondContact O-CB 3.45Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 3.17Å |
| 568 | E | 97.7 | Very high | 97.5 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 178 | 57.2 | -87.5 | -154.3 | 0 | 0 | 112.8 | K566 Q571 M572 | K566-E568 HydrophobicContact CB-CG 4.23Å; K566-E568 WeakPolarHBondContact CD-OE1 3.49Å; K566-E568 PolarHBondContact O-N 2.96Å; K566-E568 VanDerWaalsContact O-N 3.13Å; E568-Q571 PolarHBondContact O-N 3.19Å; E568-M572 VanDerWaalsContact O-CG 3.29Å; E568-M572 WeakPolarHBondContact O-CG 3.45Å; E568-M572 PolarHBondContact O-N 3.5Å |
| 569 | Y | 98.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.9 | -40 | -179.3 | -59.4 | -24.7 | 0 | 0 | 0 | 111.3 | L527 A528 L531 K566 Q571 M572 L573 | L527-Y569 HydrophobicContact CB-CE1 4.34Å; L527-Y569 HydrophobicContact CB-CE2 3.94Å; L527-Y569 HydrophobicContact CD1-CD2 4.38Å; L527-Y569 HydrophobicContact CD1-CE2 3.86Å; A528-Y569 HydrophobicContact CB-CE1 4.01Å; L531-Y569 HydrophobicContact CD1-CD1 3.64Å; L531-Y569 HydrophobicContact CD1-CD2 4.37Å; L531-Y569 HydrophobicContact CD1-CE1 4.48Å; L531-Y569 HydrophobicContact CD1-CG 3.6Å; K566-Y569 HydrophobicContact CB-CD2 3.83Å; K566-Y569 HydrophobicContact CB-CE2 4.23Å; K566-Y569 HydrophobicContact CB-CG 4.32Å; K566-Y569 HydrophobicContact CD-CD2 4.08Å; K566-Y569 HydrophobicContact CD-CE2 3.63Å; K566-Y569 HydrophobicContact CG-CD2 4.1Å; K566-Y569 HydrophobicContact CG-CE2 4.14Å; K566-Y569 PolarHBondContact O-N 3.36Å; Y569-Q571 VanDerWaalsContact C-N 3.32Å; Y569-Q571 PolarHBondContact O-N 2.88Å; Y569-M572 PolarHBondContact O-N 3.15Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; Y569-L573 WeakPolarHBondContact O-CB 3.37Å; Y569-L573 PolarHBondContact O-N 3.29Å |
| 570 | I | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.9 | -63.6 | 163.9 | 0 | 0 | 0 | 110.7 | K566 M572 L573 M574 L605 Y612 | K566-I570 VanDerWaalsContact O-CG1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.42Å; K566-I570 PolarHBondContact O-N 2.96Å; I570-M572 VanDerWaalsContact C-N 3.27Å; I570-M572 PolarHBondContact O-N 3.16Å; I570-L573 PolarHBondContact O-N 3.2Å; I570-M574 HydrophobicContact CG2-CG 3.95Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 PolarHBondContact O-N 3.05Å; I570-L605 HydrophobicContact CD1-CD2 4.48Å; I570-L605 HydrophobicContact CG1-CD1 4.07Å; I570-L605 HydrophobicContact CG1-CD2 3.75Å; I570-L605 HydrophobicContact CG1-CG 4.45Å; I570-Y612 HydrophobicContact CG2-CE2 3.95Å |
| 571 | Q | 97.5 | Very high | 97.5 | Very high | 140 Ų | 140 | 47.6 Ų | 47.6 | 65% | 0.654 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.4 | -26.3 | 178.5 | -76 | 172.9 | 32.8 | 0 | 0 | 113.4 | P567 E568 Y569 P575 | P567-Q571 WeakPolarHBondContact O-CB 3.45Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 3.17Å; E568-Q571 PolarHBondContact O-N 3.19Å; Y569-Q571 VanDerWaalsContact C-N 3.32Å; Y569-Q571 PolarHBondContact O-N 2.88Å; Q571-P575 WeakPolarHBondContact O-CD 3.35Å; Q571-P575 VanDerWaalsContact O-CG 3.3Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å |
| 572 | M | 97.4 | Very high | 97.5 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.7 | -49.9 | 173.4 | -68.8 | 170.9 | 69.2 | 0 | 0 | 111.2 | L531 D532 V535 E568 Y569 I570 P576 | L531-M572 HydrophobicContact CB-CE 3.88Å; D532-M572 HydrophobicContact CB-CE 3.82Å; D532-M572 VanDerWaalsContact N-CE 3.33Å; V535-M572 HydrophobicContact CG2-CB 4.45Å; V535-M572 WeakPolarHBondContact CG2-O 3.45Å; E568-M572 VanDerWaalsContact O-CG 3.29Å; E568-M572 WeakPolarHBondContact O-CG 3.45Å; E568-M572 PolarHBondContact O-N 3.5Å; Y569-M572 PolarHBondContact O-N 3.15Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; I570-M572 VanDerWaalsContact C-N 3.27Å; I570-M572 PolarHBondContact O-N 3.16Å; M572-P576 WeakPolarHBondContact O-CD 3.42Å |
| 573 | L | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82.3 | -43.7 | -166.1 | -177.1 | 61.6 | 0 | 0 | 0 | 114.1 | L531 I553 L564 Y569 I570 P576 L577 V601 | L531-L573 HydrophobicContact CD2-CD1 4.35Å; L531-L573 HydrophobicContact CD2-CD2 4.44Å; I553-L573 HydrophobicContact CD1-CD1 4.27Å; I553-L573 HydrophobicContact CG1-CD1 4.47Å; I553-L573 HydrophobicContact CG2-CD1 3.82Å; I553-L573 HydrophobicContact CG2-CD2 4.38Å; L564-L573 HydrophobicContact CD2-CD2 3.89Å; Y569-L573 WeakPolarHBondContact O-CB 3.37Å; Y569-L573 PolarHBondContact O-N 3.29Å; I570-L573 PolarHBondContact O-N 3.2Å; L573-P576 VanDerWaalsContact O-CD 3.25Å; L573-P576 WeakPolarHBondContact O-CD 3.12Å; L573-P576 VanDerWaalsContact O-CG 3.26Å; L573-P576 WeakPolarHBondContact O-CG 3.18Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; L573-V601 HydrophobicContact CD2-CG1 4.28Å; L573-V601 HydrophobicContact CD2-CG2 4.25Å |
| 574 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | -170.4 | -69.3 | -56.4 | -59.3 | 0 | 0 | 114.8 | I570 L577 I578 L598 V601 L605 F609 Y612 | I570-M574 HydrophobicContact CG2-CG 3.95Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 PolarHBondContact O-N 3.05Å; M574-L577 PolarHBondContact O-N 3.08Å; M574-L577 HydrophobicContact SD-CD1 4.22Å; M574-I578 HydrophobicContact CE-CD1 4.15Å; M574-I578 HydrophobicContact CE-CG1 4.06Å; M574-I578 WeakPolarHBondContact O-CB 3.36Å; M574-I578 VanDerWaalsContact O-CG1 3.3Å; M574-I578 WeakPolarHBondContact O-CG1 3.39Å; M574-I578 PolarHBondContact O-N 3.32Å; M574-L598 HydrophobicContact CE-CD2 4.25Å; M574-V601 HydrophobicContact SD-CG1 3.68Å; M574-L605 HydrophobicContact CG-CD1 3.84Å; M574-L605 HydrophobicContact SD-CD1 3.66Å; M574-F609 HydrophobicContact CE-CD2 3.95Å; M574-F609 HydrophobicContact CE-CE2 3.35Å; M574-F609 HydrophobicContact CE-CZ 3.9Å; M574-F609 HydrophobicContact SD-CD2 4.25Å; M574-F609 HydrophobicContact SD-CE2 3.99Å; M574-Y612 HydrophobicContact CB-CD2 4.27Å; M574-Y612 HydrophobicContact CB-CE1 3.94Å; M574-Y612 HydrophobicContact CB-CE2 3.67Å; M574-Y612 VanDerWaalsContact CB-CZ 3.46Å; M574-Y612 HydrophobicContact CE-CD1 4.31Å; M574-Y612 HydrophobicContact CE-CD2 3.82Å; M574-Y612 HydrophobicContact CE-CE2 4.35Å; M574-Y612 HydrophobicContact CE-CG 3.79Å; M574-Y612 HydrophobicContact CG-CD2 4.02Å; M574-Y612 HydrophobicContact CG-CE2 3.62Å |
| 575 | P | 97.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.3 | -49.4 | 179.6 | -26.7 | 36 | 0 | 0 | 0 | 115.5 | Q571 I578 Q579 | Q571-P575 WeakPolarHBondContact O-CD 3.35Å; Q571-P575 VanDerWaalsContact O-CG 3.3Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å; P575-I578 PolarHBondContact O-N 3.45Å; P575-Q579 WeakPolarHBondContact O-CB 3.19Å; P575-Q579 PolarHBondContact O-N 2.72Å |
| 576 | P | 97.7 | Very high | 97 | Very high | 17 Ų | 17 | 58 Ų | 58 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.5 | 24.5 | -34 | 0 | 0 | 0 | 112.8 | V535 F538 M572 L573 Q579 K580 | V535-P576 HydrophobicContact CG1-CG 4.25Å; V535-P576 HydrophobicContact CG2-CG 4.35Å; F538-P576 HydrophobicContact CB-CB 4.46Å; F538-P576 HydrophobicContact CD1-CB 4.11Å; F538-P576 HydrophobicContact CD2-CB 4Å; F538-P576 HydrophobicContact CD2-CG 4.31Å; F538-P576 HydrophobicContact CE1-CB 4.33Å; F538-P576 HydrophobicContact CE2-CB 4.21Å; F538-P576 HydrophobicContact CE2-CG 4.28Å; F538-P576 HydrophobicContact CG-CB 3.94Å; F538-P576 HydrophobicContact CZ-CB 4.39Å; M572-P576 WeakPolarHBondContact O-CD 3.42Å; L573-P576 VanDerWaalsContact O-CD 3.25Å; L573-P576 WeakPolarHBondContact O-CD 3.12Å; L573-P576 VanDerWaalsContact O-CG 3.26Å; L573-P576 WeakPolarHBondContact O-CG 3.18Å; P576-Q579 WeakPolarHBondContact O-CB 3.22Å; P576-Q579 PolarHBondContact O-N 3.21Å; P576-K580 WeakPolarHBondContact O-CG 3.44Å; P576-K580 PolarHBondContact O-N 2.78Å |
| 577 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 175.7 | -69.3 | 173.7 | 0 | 0 | 0 | 111.7 | F538 Y550 L573 M574 Q579 K580 W581 L594 L598 V601 | F538-L577 HydrophobicContact CE1-CD2 4.43Å; F538-L577 HydrophobicContact CZ-CD2 3.8Å; F538-L577 HydrophobicContact CZ-CG 4.39Å; Y550-L577 HydrophobicContact CD1-CD2 4.15Å; Y550-L577 HydrophobicContact CE1-CD2 4.18Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; M574-L577 PolarHBondContact O-N 3.08Å; M574-L577 HydrophobicContact SD-CD1 4.22Å; L577-Q579 VanDerWaalsContact C-N 3.33Å; L577-Q579 PolarHBondContact O-N 2.93Å; L577-K580 PolarHBondContact O-N 3.3Å; L577-W581 WeakPolarHBondContact O-CB 3.29Å; L577-W581 PolarHBondContact O-N 2.74Å; L577-L594 HydrophobicContact CD2-CD1 3.88Å; L577-L598 HydrophobicContact CB-CD2 4.33Å; L577-L598 HydrophobicContact CD1-CD2 4.27Å; L577-V601 HydrophobicContact CD1-CG1 4.46Å; L577-V601 HydrophobicContact CD1-CG2 4.33Å |
| 578 | I | 97.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 178.2 | -66.3 | -66.1 | 0 | 0 | 0 | 111.8 | M574 P575 W581 N582 Y612 V616 | M574-I578 HydrophobicContact CE-CD1 4.15Å; M574-I578 HydrophobicContact CE-CG1 4.06Å; M574-I578 WeakPolarHBondContact O-CB 3.36Å; M574-I578 VanDerWaalsContact O-CG1 3.3Å; M574-I578 WeakPolarHBondContact O-CG1 3.39Å; M574-I578 PolarHBondContact O-N 3.32Å; P575-I578 PolarHBondContact O-N 3.45Å; I578-W581 WeakPolarHBondContact O-CB 3.5Å; I578-W581 PolarHBondContact O-N 2.68Å; I578-N582 WeakPolarHBondContact CG2-ND2 3.48Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 VanDerWaalsContact O-CG 3.3Å; I578-N582 PolarHBondContact O-N 2.86Å; I578-N582 PolarHBondContact O-ND2 2.65Å; I578-Y612 HydrophobicContact CD1-CD1 4.06Å; I578-Y612 HydrophobicContact CD1-CG 4.44Å; I578-Y612 HydrophobicContact CG1-CD1 3.74Å; I578-Y612 HydrophobicContact CG1-CE1 4.21Å; I578-Y612 HydrophobicContact CG1-CG 4.45Å; I578-V616 HydrophobicContact CD1-CG2 4.36Å |
| 579 | Q | 97 | Very high | 96 | Very high | 125 Ų | 125 | 58.5 Ų | 58.5 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.3 | -48.9 | 172.4 | -177.7 | -179.8 | -4.6 | 0 | 0 | 110.6 | P575 P576 L577 N582 M583 | P575-Q579 WeakPolarHBondContact O-CB 3.19Å; P575-Q579 PolarHBondContact O-N 2.72Å; P576-Q579 WeakPolarHBondContact O-CB 3.22Å; P576-Q579 PolarHBondContact O-N 3.21Å; L577-Q579 VanDerWaalsContact C-N 3.33Å; L577-Q579 PolarHBondContact O-N 2.93Å; Q579-N582 PolarHBondContact O-N 2.84Å; Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.41Å; Q579-M583 PolarHBondContact O-N 2.92Å |
| 580 | K | 95.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.1 | -67.5 | -67.7 | -173.7 | 171.2 | 0 | 112 | F538 L546 Y550 P576 L577 N582 M583 L584 L594 | F538-K580 HydrophobicContact CD1-CG 4.18Å; F538-K580 HydrophobicContact CE1-CG 4.08Å; L546-K580 HydrophobicContact CD2-CD 4.08Å; L546-K580 VanDerWaalsContact CD2-NZ 3.33Å; Y550-K580 WeakPolarHBondContact OH-CB 3.32Å; Y550-K580 VanDerWaalsContact OH-CG 3.32Å; Y550-K580 WeakPolarHBondContact OH-CG 3.43Å; P576-K580 WeakPolarHBondContact O-CG 3.44Å; P576-K580 PolarHBondContact O-N 2.78Å; L577-K580 PolarHBondContact O-N 3.3Å; K580-N582 VanDerWaalsContact C-N 3.31Å; K580-N582 PolarHBondContact O-N 2.87Å; K580-M583 HydrophobicContact CD-SD 4.47Å; K580-M583 WeakPolarHBondContact O-CB 3.38Å; K580-M583 PolarHBondContact O-N 3.07Å; K580-L584 PolarHBondContact O-N 2.68Å; K580-L594 HydrophobicContact CB-CD2 4.16Å |
| 581 | W | 96.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.9 | -48.7 | 173.8 | 177.6 | -100.4 | 0 | 0 | 0 | 112.2 | L577 I578 M583 L591 L594 L595 L598 V616 R619 L655 | L577-W581 WeakPolarHBondContact O-CB 3.29Å; L577-W581 PolarHBondContact O-N 2.74Å; I578-W581 WeakPolarHBondContact O-CB 3.5Å; I578-W581 PolarHBondContact O-N 2.68Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 2.99Å; W581-L591 HydrophobicContact CE3-CD1 4Å; W581-L591 HydrophobicContact CZ3-CD1 3.95Å; W581-L594 HydrophobicContact CB-CD2 4.07Å; W581-L594 HydrophobicContact CE3-CD2 4.06Å; W581-L594 HydrophobicContact CE3-CG 4.37Å; W581-L595 HydrophobicContact CH2-CD2 3.62Å; W581-L595 HydrophobicContact CZ3-CD2 3.45Å; W581-L595 VanDerWaalsContact CZ3-CD2 3.45Å; W581-L595 HydrophobicContact CZ3-CG 4.02Å; W581-L598 HydrophobicContact CD2-CD1 4.21Å; W581-L598 HydrophobicContact CE3-CD1 3.53Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; W581-V616 HydrophobicContact CH2-CG1 4.26Å; W581-V616 HydrophobicContact CZ2-CB 4.3Å; W581-V616 HydrophobicContact CZ2-CG1 4.2Å; W581-V616 HydrophobicContact CZ2-CG2 4.28Å; W581-R619 HydrophobicContact CH2-CB 4.2Å; W581-R619 HydrophobicContact CH2-CG 4.39Å; W581-R619 HydrophobicContact CZ2-CB 3.54Å; W581-R619 HydrophobicContact CZ2-CG 3.93Å; W581-R619 PolarHBondContact O-NH1 2.88Å; W581-L655 HydrophobicContact CH2-CD2 4.33Å; W581-L655 HydrophobicContact CZ3-CD2 4.49Å |
| 582 | N | 96.5 | Very high | 95.1 | Very high | 115 Ų | 115 | 51.9 Ų | 51.9 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -73.4 | -17.6 | -179.1 | -69.4 | -43.2 | 0 | 0 | 0 | 113.8 | I578 Q579 K580 | I578-N582 WeakPolarHBondContact CG2-ND2 3.48Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 VanDerWaalsContact O-CG 3.3Å; I578-N582 PolarHBondContact O-N 2.86Å; I578-N582 PolarHBondContact O-ND2 2.65Å; Q579-N582 PolarHBondContact O-N 2.84Å; K580-N582 VanDerWaalsContact C-N 3.31Å; K580-N582 PolarHBondContact O-N 2.87Å |
| 583 | M | 95.5 | Very high | 94.9 | Very high | 121 Ų | 121 | 49.6 Ų | 49.6 | 60% | 0.596 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -82.4 | -38.4 | 178.7 | -74.5 | 174.3 | 60.9 | 0 | 0 | 112.6 | Q579 K580 W581 | Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.41Å; Q579-M583 PolarHBondContact O-N 2.92Å; K580-M583 HydrophobicContact CD-SD 4.47Å; K580-M583 WeakPolarHBondContact O-CB 3.38Å; K580-M583 PolarHBondContact O-N 3.07Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 2.99Å |
| 584 | L | 94.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -74.6 | 146.5 | -177 | -66.1 | 174.7 | 0 | 0 | 0 | 111.6 | K580 D588 D590 L591 L594 R619 | K580-L584 PolarHBondContact O-N 2.68Å; L584-D588 WeakPolarHBondContact CD2-OD2 3.12Å; L584-D590 HydrophobicContact CD1-CB 4.22Å; L584-D590 WeakPolarHBondContact CD1-O 3.45Å; L584-D590 HydrophobicContact CD2-CB 3.76Å; L584-L591 HydrophobicContact CB-CD1 4.16Å; L584-L591 HydrophobicContact CD1-CD1 4.17Å; L584-L594 HydrophobicContact CD1-CD2 3.93Å; L584-R619 PolarHBondContact O-NH2 3.31Å |
| 585 | K | 95.1 | Very high | 94.8 | Very high | 147 Ų | 147 | 49.5 Ų | 49.5 | 64% | 0.639 | 25% | 0.245 | S | C | * | . | trans | -91.5 | 168.2 | 175.7 | -63.8 | 178.5 | -174.8 | 167.9 | 0 | 111.2 | E587 D588 R619 | K585-E587 VanDerWaalsContact C-N 3.25Å; K585-E587 PolarHBondContact O-N 2.85Å; K585-D588 HydrophobicContact CB-CB 4.4Å; K585-D588 WeakPolarHBondContact O-CB 3.38Å; K585-D588 PolarHBondContact O-N 2.78Å; K585-R619 VanDerWaalsContact C-NH2 3.3Å; K585-R619 PolarHBondContact O-NH2 2.83Å | ||
| 586 | D | 94.2 | Very high | 94.6 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.7 | -178.9 | -71.1 | -3.3 | 0 | 0 | 0 | 113 | R619 L623 K626 F648 | D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 VanDerWaalsContact OD1-CZ 3.28Å; D586-R619 IonicContact OD1-NE 3.7Å; D586-R619 PolarHBondContact OD1-NE 3.31Å; D586-R619 IonicContact OD1-NH2 3.06Å; D586-R619 PolarHBondContact OD1-NH2 3.1Å; D586-L623 HydrophobicContact CB-CD2 3.79Å; D586-K626 IonicContact OD2-NZ 3.8Å; D586-K626 PolarHBondContact OD2-NZ 3.44Å; D586-F648 WeakPolarHBondContact O-CD1 3.42Å; D586-F648 WeakPolarHBondContact O-CE1 3.43Å |
| 587 | E | 91.2 | Very high | 94.6 | Very high | 137 Ų | 137 | 48.3 Ų | 48.3 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.2 | 177.2 | -51.5 | 77.6 | -163.6 | 0 | 0 | 112.5 | K585 | K585-E587 VanDerWaalsContact C-N 3.25Å; K585-E587 PolarHBondContact O-N 2.85Å |
| 588 | D | 91.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | trans | -88.6 | 121.5 | -174.3 | -161.4 | -24.5 | 0 | 0 | 0 | 111 | L584 K585 D590 L591 F648 | L584-D588 WeakPolarHBondContact CD2-OD2 3.12Å; K585-D588 HydrophobicContact CB-CB 4.4Å; K585-D588 WeakPolarHBondContact O-CB 3.38Å; K585-D588 PolarHBondContact O-N 2.78Å; D588-D590 PolarHBondContact O-N 2.67Å; D588-D590 WeakPolarHBondContact OD1-CB 3.46Å; D588-D590 PolarHBondContact OD1-N 2.92Å; D588-D590 VanDerWaalsContact OD1-N 3.07Å; D588-L591 WeakPolarHBondContact O-CB 3.47Å; D588-L591 PolarHBondContact O-N 2.84Å; D588-L591 VanDerWaalsContact O-N 3.07Å; D588-F648 WeakPolarHBondContact O-CE1 3.4Å | ||
| 589 | K | 90.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 47 Ų | 47 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.7 | 179.7 | -65.3 | -166.6 | 176.1 | -127.9 | 0 | 112.8 | L591 F592 D645 F648 | K589-L591 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact O-N 3.07Å; K589-F592 HydrophobicContact CB-CD2 4.37Å; K589-F592 HydrophobicContact CB-CE2 4.03Å; K589-F592 HydrophobicContact CB-CZ 4.35Å; K589-F592 HydrophobicContact CD-CE2 4.23Å; K589-F592 HydrophobicContact CG-CE2 4Å; K589-F592 HydrophobicContact CG-CZ 4.08Å; K589-F592 WeakPolarHBondContact O-CG 3.48Å; K589-F592 PolarHBondContact O-N 3.25Å; K589-D645 WeakPolarHBondContact CE-OD2 3.43Å; K589-D645 IonicContact NZ-OD2 2.62Å; K589-D645 PolarHBondContact NZ-OD2 2.93Å; K589-F648 HydrophobicContact CG-CZ 4.36Å |
| 590 | D | 89.9 | Confident | 94.6 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.9 | 170.9 | -70.8 | -16.6 | 0 | 0 | 0 | 112.6 | H543 L584 D588 F592 P593 | H543-D590 IonicContact CD2-OD1 2.94Å; H543-D590 IonicContact CD2-OD2 3.88Å; H543-D590 IonicContact CE1-OD1 3.01Å; H543-D590 IonicContact CE1-OD2 2.72Å; H543-D590 PolarHBondContact CE1-OD2 2.84Å; H543-D590 IonicContact NE2-OD1 2.92Å; H543-D590 PolarHBondContact NE2-OD1 3.4Å; H543-D590 IonicContact NE2-OD2 2.74Å; H543-D590 PolarHBondContact NE2-OD2 3.43Å; L584-D590 HydrophobicContact CD1-CB 4.22Å; L584-D590 WeakPolarHBondContact CD1-O 3.45Å; L584-D590 HydrophobicContact CD2-CB 3.76Å; D588-D590 PolarHBondContact O-N 2.67Å; D588-D590 WeakPolarHBondContact OD1-CB 3.46Å; D588-D590 PolarHBondContact OD1-N 2.92Å; D588-D590 VanDerWaalsContact OD1-N 3.07Å; D590-F592 VanDerWaalsContact C-N 3.3Å; D590-P593 WeakPolarHBondContact O-CD 3.49Å |
| 591 | L | 92.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.5 | -25.3 | 173.6 | -165.2 | 64.4 | 0 | 0 | 0 | 112.4 | W581 L584 D588 K589 L594 L595 L623 | W581-L591 HydrophobicContact CE3-CD1 4Å; W581-L591 HydrophobicContact CZ3-CD1 3.95Å; L584-L591 HydrophobicContact CB-CD1 4.16Å; L584-L591 HydrophobicContact CD1-CD1 4.17Å; D588-L591 WeakPolarHBondContact O-CB 3.47Å; D588-L591 PolarHBondContact O-N 2.84Å; D588-L591 VanDerWaalsContact O-N 3.07Å; K589-L591 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact O-N 3.07Å; L591-L594 PolarHBondContact O-N 3.48Å; L591-L595 HydrophobicContact CB-CD1 4.48Å; L591-L595 HydrophobicContact CD2-CD1 3.95Å; L591-L595 HydrophobicContact CG-CD1 3.65Å; L591-L595 HydrophobicContact CG-CG 4Å; L591-L595 WeakPolarHBondContact O-CB 3.09Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.44Å; L591-L623 HydrophobicContact CD2-CD1 3.93Å |
| 592 | F | 93.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -54.3 | -176.1 | -51.5 | -25.6 | 0 | 0 | 0 | 112.4 | H348 K589 D590 L594 L595 E596 D647 F648 V651 | H348-F592 HydrophobicContact CB-CD2 4.46Å; K589-F592 HydrophobicContact CB-CD2 4.37Å; K589-F592 HydrophobicContact CB-CE2 4.03Å; K589-F592 HydrophobicContact CB-CZ 4.35Å; K589-F592 HydrophobicContact CD-CE2 4.23Å; K589-F592 HydrophobicContact CG-CE2 4Å; K589-F592 HydrophobicContact CG-CZ 4.08Å; K589-F592 WeakPolarHBondContact O-CG 3.48Å; K589-F592 PolarHBondContact O-N 3.25Å; D590-F592 VanDerWaalsContact C-N 3.3Å; F592-L594 PolarHBondContact O-N 3.15Å; F592-L595 WeakPolarHBondContact O-CB 3.46Å; F592-L595 PolarHBondContact O-N 3.03Å; F592-L595 VanDerWaalsContact O-N 3.08Å; F592-E596 WeakPolarHBondContact O-CG 3.34Å; F592-E596 PolarHBondContact O-N 3.44Å; F592-D647 HydrophobicContact CE1-CB 4.08Å; F592-D647 HydrophobicContact CE2-CB 3.87Å; F592-D647 HydrophobicContact CZ-CB 3.58Å; F592-F648 HydrophobicContact CD1-CD1 4.35Å; F592-F648 HydrophobicContact CD1-CE1 4.32Å; F592-F648 HydrophobicContact CE1-CB 4.44Å; F592-F648 AromaticContact CE1-CD1 3.54Å; F592-F648 HydrophobicContact CE1-CD1 3.54Å; F592-F648 AromaticContact CE1-CD2 3.87Å; F592-F648 HydrophobicContact CE1-CD2 3.87Å; F592-F648 AromaticContact CE1-CE1 3.53Å; F592-F648 HydrophobicContact CE1-CE1 3.53Å; F592-F648 AromaticContact CE1-CE2 3.87Å; F592-F648 HydrophobicContact CE1-CE2 3.87Å; F592-F648 AromaticContact CE1-CG 3.7Å; F592-F648 HydrophobicContact CE1-CG 3.7Å; F592-F648 AromaticContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CZ-CD1 4.42Å; F592-F648 AromaticContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CE1 4.22Å; F592-F648 AromaticContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CG 4.3Å; F592-F648 AromaticContact CZ-CZ 3.9Å; F592-F648 HydrophobicContact CZ-CZ 3.9Å; F592-V651 HydrophobicContact CB-CG1 4.18Å; F592-V651 HydrophobicContact CD1-CG1 4.49Å; F592-V651 HydrophobicContact CD1-CG2 3.81Å; F592-V651 HydrophobicContact CE1-CG2 4.35Å |
| 593 | P | 93 | Very high | 94.9 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.4 | -29.1 | -177.1 | -21.1 | 37.4 | 0 | 0 | 0 | 112.3 | R346 L547 Y550 D590 C597 | R346-P593 VanDerWaalsContact NH1-CG 3.29Å; L547-P593 HydrophobicContact CD2-CG 4.24Å; Y550-P593 HydrophobicContact CD2-CB 4.01Å; D590-P593 WeakPolarHBondContact O-CD 3.49Å; P593-C597 WeakPolarHBondContact O-CB 3.07Å; P593-C597 PolarHBondContact O-N 3.39Å |
| 594 | L | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71 | -37.9 | 174.7 | -179.7 | 60.4 | 0 | 0 | 0 | 112.1 | Y550 L577 K580 W581 L584 L591 F592 L598 | Y550-L594 HydrophobicContact CD1-CD1 4.03Å; Y550-L594 HydrophobicContact CD2-CB 4.47Å; Y550-L594 HydrophobicContact CE1-CD1 3.69Å; Y550-L594 HydrophobicContact CE2-CB 4.25Å; L577-L594 HydrophobicContact CD2-CD1 3.88Å; K580-L594 HydrophobicContact CB-CD2 4.16Å; W581-L594 HydrophobicContact CB-CD2 4.07Å; W581-L594 HydrophobicContact CE3-CD2 4.06Å; W581-L594 HydrophobicContact CE3-CG 4.37Å; L584-L594 HydrophobicContact CD1-CD2 3.93Å; L591-L594 PolarHBondContact O-N 3.48Å; F592-L594 PolarHBondContact O-N 3.15Å; L594-L598 HydrophobicContact CD1-CD1 4.24Å; L594-L598 HydrophobicContact CD1-CG 4.21Å; L594-L598 HydrophobicContact CG-CD1 4.13Å; L594-L598 VanDerWaalsContact O-CB 3.31Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.24Å; L594-L598 WeakPolarHBondContact O-CG 3.15Å; L594-L598 PolarHBondContact O-N 3.24Å |
| 595 | L | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 175 | -79 | 164.3 | 0 | 0 | 0 | 111 | W581 L591 F592 L598 S599 L623 V651 L655 | W581-L595 HydrophobicContact CH2-CD2 3.62Å; W581-L595 HydrophobicContact CZ3-CD2 3.45Å; W581-L595 VanDerWaalsContact CZ3-CD2 3.45Å; W581-L595 HydrophobicContact CZ3-CG 4.02Å; L591-L595 HydrophobicContact CB-CD1 4.48Å; L591-L595 HydrophobicContact CD2-CD1 3.95Å; L591-L595 HydrophobicContact CG-CD1 3.65Å; L591-L595 HydrophobicContact CG-CG 4Å; L591-L595 WeakPolarHBondContact O-CB 3.09Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.44Å; F592-L595 WeakPolarHBondContact O-CB 3.46Å; F592-L595 PolarHBondContact O-N 3.03Å; F592-L595 VanDerWaalsContact O-N 3.08Å; L595-L598 PolarHBondContact O-N 3.36Å; L595-S599 PolarHBondContact O-N 2.93Å; L595-S599 PolarHBondContact O-OG 2.87Å; L595-L623 HydrophobicContact CD1-CD1 4.2Å; L595-V651 HydrophobicContact CB-CB 3.9Å; L595-V651 HydrophobicContact CB-CG2 4.31Å; L595-V651 HydrophobicContact CD1-CB 3.86Å; L595-V651 HydrophobicContact CD1-CG2 3.32Å; L595-V651 HydrophobicContact CG-CB 4.49Å; L595-V651 HydrophobicContact CG-CG2 4.42Å; L595-L655 HydrophobicContact CD2-CB 4.26Å; L595-L655 HydrophobicContact CD2-CD2 3.39Å; L595-L655 HydrophobicContact CD2-CG 4.46Å |
| 596 | E | 94.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -57.7 | -53.7 | 174.8 | -70.4 | 161.9 | -177.4 | 0 | 0 | 110.5 | H348 F592 L598 S599 S600 V651 | H348-E596 IonicContact CE1-OE1 2.76Å; H348-E596 IonicContact CG-OE1 3.22Å; H348-E596 IonicContact ND1-OE1 3.41Å; H348-E596 PolarHBondContact ND1-OE1 3.31Å; F592-E596 WeakPolarHBondContact O-CG 3.34Å; F592-E596 PolarHBondContact O-N 3.44Å; E596-L598 PolarHBondContact O-N 3.09Å; E596-S599 WeakPolarHBondContact O-CA 3.34Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 3.02Å; E596-S600 PolarHBondContact O-N 3.42Å; E596-V651 HydrophobicContact CG-CG1 4.18Å |
| 597 | C | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.3 | -46.6 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 112.8 | Y550 I553 P593 S599 S600 V601 | Y550-C597 WeakPolarHBondContact O-CB 3.13Å; Y550-C597 PolarHBondContact O-SG 2.95Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; P593-C597 WeakPolarHBondContact O-CB 3.07Å; P593-C597 PolarHBondContact O-N 3.39Å; C597-S599 PolarHBondContact O-N 2.98Å; C597-S600 PolarHBondContact O-N 3.03Å; C597-V601 WeakPolarHBondContact O-CB 3.48Å; C597-V601 VanDerWaalsContact O-CG2 3.25Å; C597-V601 WeakPolarHBondContact O-CG2 3.06Å; C597-V601 PolarHBondContact O-N 3.36Å |
| 598 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.4 | -24.8 | 177.1 | -76.8 | 173.1 | 0 | 0 | 0 | 112.9 | M574 L577 W581 L594 L595 E596 A602 F609 L655 | M574-L598 HydrophobicContact CE-CD2 4.25Å; L577-L598 HydrophobicContact CB-CD2 4.33Å; L577-L598 HydrophobicContact CD1-CD2 4.27Å; W581-L598 HydrophobicContact CD2-CD1 4.21Å; W581-L598 HydrophobicContact CE3-CD1 3.53Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; L594-L598 HydrophobicContact CD1-CD1 4.24Å; L594-L598 HydrophobicContact CD1-CG 4.21Å; L594-L598 HydrophobicContact CG-CD1 4.13Å; L594-L598 VanDerWaalsContact O-CB 3.31Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.24Å; L594-L598 WeakPolarHBondContact O-CG 3.15Å; L594-L598 PolarHBondContact O-N 3.24Å; L595-L598 PolarHBondContact O-N 3.36Å; E596-L598 PolarHBondContact O-N 3.09Å; L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; L598-F609 HydrophobicContact CD2-CE2 4.23Å; L598-F609 HydrophobicContact CD2-CZ 4.27Å; L598-L655 VanDerWaalsContact C-CD1 3.45Å; L598-L655 HydrophobicContact CB-CD1 3.88Å; L598-L655 HydrophobicContact CB-CD2 3.91Å; L598-L655 HydrophobicContact CD1-CD2 4.4Å; L598-L655 WeakPolarHBondContact O-CD1 3.41Å |
| 599 | S | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.6 | -48.7 | 179.3 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | L595 E596 C597 A602 T603 L655 | L595-S599 PolarHBondContact O-N 2.93Å; L595-S599 PolarHBondContact O-OG 2.87Å; E596-S599 WeakPolarHBondContact O-CA 3.34Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 3.02Å; C597-S599 PolarHBondContact O-N 2.98Å; S599-A602 PolarHBondContact O-N 3.4Å; S599-T603 PolarHBondContact O-N 3.36Å; S599-T603 PolarHBondContact O-OG1 3.47Å; S599-L655 WeakPolarHBondContact OG-CA 3.41Å; S599-L655 WeakPolarHBondContact OG-CB 3.49Å; S599-L655 PolarHBondContact OG-N 2.97Å |
| 600 | S | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 173.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | G554 D558 E596 C597 A602 T603 A604 | G554-S600 WeakPolarHBondContact O-CB 3.3Å; D558-S600 VanDerWaalsContact CG-CB 3.47Å; D558-S600 VanDerWaalsContact CG-OG 3.28Å; D558-S600 VanDerWaalsContact OD1-CB 3.29Å; D558-S600 WeakPolarHBondContact OD1-CB 3.32Å; D558-S600 PolarHBondContact OD1-OG 3.35Å; D558-S600 VanDerWaalsContact OD2-CB 3.23Å; D558-S600 WeakPolarHBondContact OD2-CB 3.38Å; D558-S600 PolarHBondContact OD2-OG 3.14Å; E596-S600 PolarHBondContact O-N 3.42Å; C597-S600 PolarHBondContact O-N 3.03Å; S600-A602 PolarHBondContact O-N 3.05Å; S600-T603 WeakPolarHBondContact O-CB 3.49Å; S600-T603 PolarHBondContact O-N 2.95Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 2.93Å |
| 601 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | I553 A557 L573 M574 L577 C597 T603 A604 L605 F609 | I553-V601 HydrophobicContact CG2-CG2 3.93Å; A557-V601 HydrophobicContact CB-CG2 3.99Å; L573-V601 HydrophobicContact CD2-CG1 4.28Å; L573-V601 HydrophobicContact CD2-CG2 4.25Å; M574-V601 HydrophobicContact SD-CG1 3.68Å; L577-V601 HydrophobicContact CD1-CG1 4.46Å; L577-V601 HydrophobicContact CD1-CG2 4.33Å; C597-V601 WeakPolarHBondContact O-CB 3.48Å; C597-V601 VanDerWaalsContact O-CG2 3.25Å; C597-V601 WeakPolarHBondContact O-CG2 3.06Å; C597-V601 PolarHBondContact O-N 3.36Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; V601-A604 PolarHBondContact O-N 3.22Å; V601-L605 HydrophobicContact CG1-CD1 3.63Å; V601-L605 HydrophobicContact CG1-CG 3.91Å; V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 VanDerWaalsContact O-CG 3.24Å; V601-L605 WeakPolarHBondContact O-CG 3.43Å; V601-L605 PolarHBondContact O-N 2.71Å; V601-F609 HydrophobicContact CG1-CD2 4.48Å; V601-F609 HydrophobicContact CG1-CE2 4.32Å |
| 602 | A | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L598 S599 S600 Q606 F609 L655 L659 | L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; S599-A602 PolarHBondContact O-N 3.4Å; S600-A602 PolarHBondContact O-N 3.05Å; A602-Q606 PolarHBondContact O-N 2.96Å; A602-F609 HydrophobicContact CB-CD1 4.5Å; A602-F609 HydrophobicContact CB-CD2 4.09Å; A602-F609 HydrophobicContact CB-CE2 4.13Å; A602-F609 HydrophobicContact CB-CG 4.28Å; A602-F609 HydrophobicContact CB-CZ 4.39Å; A602-L655 HydrophobicContact CB-CD1 4.37Å; A602-L659 HydrophobicContact CB-CD2 3.89Å; A602-L659 HydrophobicContact CB-CG 4.32Å |
| 603 | T | 97.9 | Very high | 97.3 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | S599 S600 V601 Q606 G658 E661 | S599-T603 PolarHBondContact O-N 3.36Å; S599-T603 PolarHBondContact O-OG1 3.47Å; S600-T603 WeakPolarHBondContact O-CB 3.49Å; S600-T603 PolarHBondContact O-N 2.95Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; T603-Q606 WeakPolarHBondContact O-CG 3.31Å; T603-G658 WeakPolarHBondContact OG1-CA 3.36Å; T603-G658 PolarHBondContact OG1-O 3.25Å; T603-E661 HydrophobicContact CG2-CB 4.5Å; T603-E661 HydrophobicContact CG2-CG 4.02Å |
| 604 | A | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A557 H562 L564 S600 V601 Q606 | A557-A604 HydrophobicContact CB-CB 3.87Å; A557-A604 WeakPolarHBondContact O-CB 3.33Å; H562-A604 WeakPolarHBondContact CA-O 3.47Å; L564-A604 HydrophobicContact CB-CB 4.42Å; L564-A604 HydrophobicContact CD2-CB 4.25Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 2.93Å; V601-A604 PolarHBondContact O-N 3.22Å; A604-Q606 VanDerWaalsContact C-N 3.34Å; A604-Q606 PolarHBondContact O-N 2.95Å |
| 605 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.4 | -18.6 | -177.3 | -67.5 | -168.5 | 0 | 0 | 0 | 113.7 | L564 N565 I570 M574 V601 S607 G608 F609 | L564-L605 HydrophobicContact CB-CD2 4Å; L564-L605 HydrophobicContact CD2-CD2 3.97Å; L564-L605 HydrophobicContact CG-CD2 3.69Å; L564-L605 WeakPolarHBondContact O-CD2 3.44Å; N565-L605 WeakPolarHBondContact CB-O 3.4Å; N565-L605 PolarHBondContact ND2-O 2.78Å; N565-L605 VanDerWaalsContact ND2-O 3.15Å; N565-L605 PolarHBondContact OD1-O 3.41Å; N565-L605 VanDerWaalsContact OD1-O 3.12Å; I570-L605 HydrophobicContact CD1-CD2 4.48Å; I570-L605 HydrophobicContact CG1-CD1 4.07Å; I570-L605 HydrophobicContact CG1-CD2 3.75Å; I570-L605 HydrophobicContact CG1-CG 4.45Å; M574-L605 HydrophobicContact CG-CD1 3.84Å; M574-L605 HydrophobicContact SD-CD1 3.66Å; V601-L605 HydrophobicContact CG1-CD1 3.63Å; V601-L605 HydrophobicContact CG1-CG 3.91Å; V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 VanDerWaalsContact O-CG 3.24Å; V601-L605 WeakPolarHBondContact O-CG 3.43Å; V601-L605 PolarHBondContact O-N 2.71Å; L605-S607 PolarHBondContact O-N 3.33Å; L605-G608 WeakPolarHBondContact O-CA 3.26Å; L605-G608 PolarHBondContact O-N 3.16Å; L605-F609 HydrophobicContact CB-CB 4.26Å; L605-F609 HydrophobicContact CD1-CD2 4.19Å |
| 606 | Q | 98 | Very high | 97.6 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | 48.2 | -127.4 | -179.8 | -56.8 | 176.4 | -22.7 | 0 | 0 | 112.3 | A602 T603 A604 G608 F609 G662 L663 | A602-Q606 PolarHBondContact O-N 2.96Å; T603-Q606 WeakPolarHBondContact O-CG 3.31Å; A604-Q606 VanDerWaalsContact C-N 3.34Å; A604-Q606 PolarHBondContact O-N 2.95Å; Q606-G608 PolarHBondContact O-N 2.92Å; Q606-F609 WeakPolarHBondContact O-CB 3.48Å; Q606-F609 PolarHBondContact O-N 3.12Å; Q606-G662 CarbonylContact C-O 3.5Å; Q606-G662 WeakPolarHBondContact CA-O 3.39Å; Q606-G662 WeakPolarHBondContact CB-O 3.33Å; Q606-L663 WeakPolarHBondContact O-CD2 3.36Å |
| 607 | S | 97 | Very high | 97.8 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 44% | 0.441 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -58.9 | -19.9 | 175.9 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | L605 F609 L610 | L605-S607 PolarHBondContact O-N 3.33Å; S607-F609 PolarHBondContact O-N 2.93Å; S607-L610 WeakPolarHBondContact O-CB 3.06Å; S607-L610 WeakPolarHBondContact O-CD1 3.36Å; S607-L610 WeakPolarHBondContact O-CG 3.43Å; S607-L610 PolarHBondContact O-N 3.41Å |
| 608 | G | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61.8 | -23.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L605 Q606 L610 P611 | L605-G608 WeakPolarHBondContact O-CA 3.26Å; L605-G608 PolarHBondContact O-N 3.16Å; Q606-G608 PolarHBondContact O-N 2.92Å; G608-L610 VanDerWaalsContact C-N 3.34Å; G608-P611 VanDerWaalsContact O-CD 3.32Å; G608-P611 WeakPolarHBondContact O-CD 3.48Å |
| 609 | F | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -80.7 | -10.2 | 177.8 | -155.6 | -88.4 | 0 | 0 | 0 | 113.6 | M574 L598 V601 A602 L605 Q606 S607 P611 Y612 C613 V616 L659 L663 | M574-F609 HydrophobicContact CE-CD2 3.95Å; M574-F609 HydrophobicContact CE-CE2 3.35Å; M574-F609 HydrophobicContact CE-CZ 3.9Å; M574-F609 HydrophobicContact SD-CD2 4.25Å; M574-F609 HydrophobicContact SD-CE2 3.99Å; L598-F609 HydrophobicContact CD2-CE2 4.23Å; L598-F609 HydrophobicContact CD2-CZ 4.27Å; V601-F609 HydrophobicContact CG1-CD2 4.48Å; V601-F609 HydrophobicContact CG1-CE2 4.32Å; A602-F609 HydrophobicContact CB-CD1 4.5Å; A602-F609 HydrophobicContact CB-CD2 4.09Å; A602-F609 HydrophobicContact CB-CE2 4.13Å; A602-F609 HydrophobicContact CB-CG 4.28Å; A602-F609 HydrophobicContact CB-CZ 4.39Å; L605-F609 HydrophobicContact CB-CB 4.26Å; L605-F609 HydrophobicContact CD1-CD2 4.19Å; Q606-F609 WeakPolarHBondContact O-CB 3.48Å; Q606-F609 PolarHBondContact O-N 3.12Å; S607-F609 PolarHBondContact O-N 2.93Å; F609-P611 VanDerWaalsContact C-N 3.33Å; F609-P611 VanDerWaalsContact O-N 3.14Å; F609-Y612 PolarHBondContact O-N 3.36Å; F609-C613 HydrophobicContact CD1-CB 4.01Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 VanDerWaalsContact O-N 3.09Å; F609-V616 HydrophobicContact CE1-CB 4.3Å; F609-V616 HydrophobicContact CE1-CG1 4.45Å; F609-V616 HydrophobicContact CE1-CG2 4.18Å; F609-V616 HydrophobicContact CZ-CG2 4.18Å; F609-L659 HydrophobicContact CD1-CD2 3.6Å; F609-L659 HydrophobicContact CE1-CD2 3.55Å; F609-L659 HydrophobicContact CZ-CD2 4.42Å; F609-L663 HydrophobicContact CB-CD2 4.26Å |
| 610 | L | 97.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -49.9 | -40.5 | -176.8 | -75.4 | 171.2 | 0 | 0 | 0 | 115.3 | S607 G608 Y612 C613 L663 N666 | S607-L610 WeakPolarHBondContact O-CB 3.06Å; S607-L610 WeakPolarHBondContact O-CD1 3.36Å; S607-L610 WeakPolarHBondContact O-CG 3.43Å; S607-L610 PolarHBondContact O-N 3.41Å; G608-L610 VanDerWaalsContact C-N 3.34Å; L610-Y612 PolarHBondContact O-N 3.37Å; L610-Y612 VanDerWaalsContact O-N 3.14Å; L610-C613 PolarHBondContact O-N 3.34Å; L610-C613 PolarHBondContact O-SG 3.19Å; L610-L663 HydrophobicContact CD2-CD2 3.85Å; L610-L663 HydrophobicContact CG-CD2 4.11Å; L610-N666 HydrophobicContact CD2-CB 3.76Å |
| 611 | P | 97.5 | Very high | 97.9 | Very high | 99 Ų | 99 | 34.1 Ų | 34.1 | 64% | 0.643 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.2 | -18.8 | 178.3 | -22.9 | 35.5 | 0 | 0 | 0 | 114.3 | G608 F609 | G608-P611 VanDerWaalsContact O-CD 3.32Å; G608-P611 WeakPolarHBondContact O-CD 3.48Å; F609-P611 VanDerWaalsContact C-N 3.33Å; F609-P611 VanDerWaalsContact O-N 3.14Å |
| 612 | Y | 97.6 | Very high | 97.9 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -112.2 | -14.6 | -173 | -48.3 | -76.2 | 0 | 0 | 0 | 113 | I570 M574 I578 F609 L610 E614 P615 V616 | I570-Y612 HydrophobicContact CG2-CE2 3.95Å; M574-Y612 HydrophobicContact CB-CD2 4.27Å; M574-Y612 HydrophobicContact CB-CE1 3.94Å; M574-Y612 HydrophobicContact CB-CE2 3.67Å; M574-Y612 VanDerWaalsContact CB-CZ 3.46Å; M574-Y612 HydrophobicContact CE-CD1 4.31Å; M574-Y612 HydrophobicContact CE-CD2 3.82Å; M574-Y612 HydrophobicContact CE-CE2 4.35Å; M574-Y612 HydrophobicContact CE-CG 3.79Å; M574-Y612 HydrophobicContact CG-CD2 4.02Å; M574-Y612 HydrophobicContact CG-CE2 3.62Å; I578-Y612 HydrophobicContact CD1-CD1 4.06Å; I578-Y612 HydrophobicContact CD1-CG 4.44Å; I578-Y612 HydrophobicContact CG1-CD1 3.74Å; I578-Y612 HydrophobicContact CG1-CE1 4.21Å; I578-Y612 HydrophobicContact CG1-CG 4.45Å; F609-Y612 PolarHBondContact O-N 3.36Å; L610-Y612 PolarHBondContact O-N 3.37Å; L610-Y612 VanDerWaalsContact O-N 3.14Å; Y612-E614 PolarHBondContact O-N 3.41Å; Y612-P615 VanDerWaalsContact O-CD 3.31Å; Y612-P615 WeakPolarHBondContact O-CD 3.19Å; Y612-P615 WeakPolarHBondContact O-CG 3.39Å; Y612-V616 VanDerWaalsContact O-CG2 3.3Å; Y612-V616 WeakPolarHBondContact O-CG2 3.39Å |
| 613 | C | 97.2 | Very high | 97.9 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | -168.6 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | F609 L610 V616 Y617 L659 L663 L670 | F609-C613 HydrophobicContact CD1-CB 4.01Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 VanDerWaalsContact O-N 3.09Å; L610-C613 PolarHBondContact O-N 3.34Å; L610-C613 PolarHBondContact O-SG 3.19Å; C613-V616 PolarHBondContact O-N 2.92Å; C613-Y617 WeakPolarHBondContact O-CB 3.45Å; C613-Y617 PolarHBondContact O-N 3.15Å; C613-L659 HydrophobicContact CB-CD2 4.4Å; C613-L663 HydrophobicContact CB-CD1 3.7Å; C613-L670 HydrophobicContact CB-CD1 4.27Å |
| 614 | E | 97.3 | Very high | 98 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 43% | 0.425 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -52.5 | -173.7 | -175.8 | 166 | -157.5 | 0 | 0 | 113.8 | Y612 V616 Q618 L670 | Y612-E614 PolarHBondContact O-N 3.41Å; E614-V616 VanDerWaalsContact C-N 3.31Å; E614-V616 PolarHBondContact O-N 3.01Å; E614-Q618 WeakPolarHBondContact O-CB 3.4Å; E614-Q618 VanDerWaalsContact O-CG 3.25Å; E614-Q618 WeakPolarHBondContact O-CG 3.45Å; E614-Q618 PolarHBondContact O-N 2.75Å; E614-Q618 PolarHBondContact OE1-NE2 3.49Å; E614-L670 HydrophobicContact CB-CD2 4.1Å; E614-L670 HydrophobicContact CG-CD2 3.99Å |
| 615 | P | 97.2 | Very high | 98 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 45% | 0.448 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.7 | -34.7 | 177.3 | 24.4 | -34.1 | 0 | 0 | 0 | 112.9 | Y612 R619 | Y612-P615 VanDerWaalsContact O-CD 3.31Å; Y612-P615 WeakPolarHBondContact O-CD 3.19Å; Y612-P615 WeakPolarHBondContact O-CG 3.39Å; P615-R619 PolarHBondContact O-N 3.18Å; P615-R619 VanDerWaalsContact O-N 3.17Å |
| 616 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -51.7 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | I578 W581 F609 Y612 C613 E614 Q618 R619 C620 L655 L659 | I578-V616 HydrophobicContact CD1-CG2 4.36Å; W581-V616 HydrophobicContact CH2-CG1 4.26Å; W581-V616 HydrophobicContact CZ2-CB 4.3Å; W581-V616 HydrophobicContact CZ2-CG1 4.2Å; W581-V616 HydrophobicContact CZ2-CG2 4.28Å; F609-V616 HydrophobicContact CE1-CB 4.3Å; F609-V616 HydrophobicContact CE1-CG1 4.45Å; F609-V616 HydrophobicContact CE1-CG2 4.18Å; F609-V616 HydrophobicContact CZ-CG2 4.18Å; Y612-V616 VanDerWaalsContact O-CG2 3.3Å; Y612-V616 WeakPolarHBondContact O-CG2 3.39Å; C613-V616 PolarHBondContact O-N 2.92Å; E614-V616 VanDerWaalsContact C-N 3.31Å; E614-V616 PolarHBondContact O-N 3.01Å; V616-Q618 PolarHBondContact O-N 3.07Å; V616-R619 PolarHBondContact O-N 2.92Å; V616-C620 PolarHBondContact O-N 3.2Å; V616-C620 VanDerWaalsContact O-N 3.09Å; V616-C620 PolarHBondContact O-SG 3.14Å; V616-L655 HydrophobicContact CG1-CD1 4.43Å; V616-L655 HydrophobicContact CG1-CD2 3.48Å; V616-L655 VanDerWaalsContact CG1-CD2 3.48Å; V616-L655 HydrophobicContact CG1-CG 4.06Å; V616-L659 HydrophobicContact CG1-CD1 4.14Å |
| 617 | Y | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 178.1 | -177.2 | -86 | 0 | 0 | 0 | 111.9 | C613 R619 C620 V621 L656 L659 I667 L670 V671 S674 I676 | C613-Y617 WeakPolarHBondContact O-CB 3.45Å; C613-Y617 PolarHBondContact O-N 3.15Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.29Å; Y617-C620 PolarHBondContact O-N 2.92Å; Y617-V621 HydrophobicContact CD1-CG2 3.98Å; Y617-V621 HydrophobicContact CE1-CG2 3.64Å; Y617-V621 WeakPolarHBondContact O-CG2 3.45Å; Y617-V621 PolarHBondContact O-N 3.08Å; Y617-L656 HydrophobicContact CD2-CD2 3.29Å; Y617-L656 HydrophobicContact CE2-CD2 3.45Å; Y617-L656 VanDerWaalsContact CE2-CD2 3.45Å; Y617-L656 HydrophobicContact CG-CD2 3.94Å; Y617-L659 HydrophobicContact CD2-CD1 4.22Å; Y617-I667 HydrophobicContact CD2-CD1 4.19Å; Y617-I667 HydrophobicContact CD2-CG1 4.41Å; Y617-I667 HydrophobicContact CE2-CD1 3.98Å; Y617-I667 HydrophobicContact CE2-CG1 4.19Å; Y617-L670 HydrophobicContact CD1-CB 3.81Å; Y617-L670 HydrophobicContact CD1-CD1 4.43Å; Y617-L670 HydrophobicContact CD1-CD2 4.47Å; Y617-L670 HydrophobicContact CD1-CG 4.47Å; Y617-L670 HydrophobicContact CD2-CB 4.14Å; Y617-L670 HydrophobicContact CD2-CD1 4.14Å; Y617-L670 HydrophobicContact CE1-CB 3.71Å; Y617-L670 WeakPolarHBondContact CE1-O 3.5Å; Y617-L670 HydrophobicContact CE2-CB 4.07Å; Y617-L670 HydrophobicContact CG-CB 4.01Å; Y617-L670 HydrophobicContact CG-CD1 3.94Å; Y617-L670 HydrophobicContact CG-CG 4.45Å; Y617-L670 PolarHBondContact OH-O 3.08Å; Y617-V671 WeakPolarHBondContact OH-CA 3.46Å; Y617-V671 PolarHBondContact OH-N 3.42Å; Y617-S674 PolarHBondContact OH-OG 2.96Å; Y617-I676 WeakPolarHBondContact OH-CG2 3.41Å |
| 618 | Q | 98.2 | Very high | 98 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 179.8 | -75.3 | 176.6 | 5 | 0 | 0 | 112.2 | E614 V616 N622 | E614-Q618 WeakPolarHBondContact O-CB 3.4Å; E614-Q618 VanDerWaalsContact O-CG 3.25Å; E614-Q618 WeakPolarHBondContact O-CG 3.45Å; E614-Q618 PolarHBondContact O-N 2.75Å; E614-Q618 PolarHBondContact OE1-NE2 3.49Å; V616-Q618 PolarHBondContact O-N 3.07Å; Q618-N622 WeakPolarHBondContact O-CB 3.49Å; Q618-N622 PolarHBondContact O-N 2.97Å; Q618-N622 PolarHBondContact O-ND2 3.03Å; Q618-N622 VanDerWaalsContact O-ND2 3.12Å |
| 619 | R | 98.1 | Very high | 97.9 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 177 | -161 | -175.2 | -171.3 | 166.7 | -1.5 | 111.6 | W581 L584 K585 D586 P615 V616 Y617 V621 N622 L623 | W581-R619 HydrophobicContact CH2-CB 4.2Å; W581-R619 HydrophobicContact CH2-CG 4.39Å; W581-R619 HydrophobicContact CZ2-CB 3.54Å; W581-R619 HydrophobicContact CZ2-CG 3.93Å; W581-R619 PolarHBondContact O-NH1 2.88Å; L584-R619 PolarHBondContact O-NH2 3.31Å; K585-R619 VanDerWaalsContact C-NH2 3.3Å; K585-R619 PolarHBondContact O-NH2 2.83Å; D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 VanDerWaalsContact OD1-CZ 3.28Å; D586-R619 IonicContact OD1-NE 3.7Å; D586-R619 PolarHBondContact OD1-NE 3.31Å; D586-R619 IonicContact OD1-NH2 3.06Å; D586-R619 PolarHBondContact OD1-NH2 3.1Å; P615-R619 PolarHBondContact O-N 3.18Å; P615-R619 VanDerWaalsContact O-N 3.17Å; V616-R619 PolarHBondContact O-N 2.92Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.29Å; R619-V621 PolarHBondContact O-N 3.45Å; R619-N622 WeakPolarHBondContact O-CB 3.31Å; R619-N622 PolarHBondContact O-N 3.5Å; R619-N622 VanDerWaalsContact O-N 3.11Å; R619-L623 WeakPolarHBondContact O-CG 3.44Å; R619-L623 PolarHBondContact O-N 2.94Å |
| 620 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 178.7 | -62 | 0 | 0 | 0 | 0 | 111.6 | V616 Y617 N622 L623 V624 A652 L656 | V616-C620 PolarHBondContact O-N 3.2Å; V616-C620 VanDerWaalsContact O-N 3.09Å; V616-C620 PolarHBondContact O-SG 3.14Å; Y617-C620 PolarHBondContact O-N 2.92Å; C620-N622 VanDerWaalsContact C-N 3.27Å; C620-N622 PolarHBondContact O-N 3.24Å; C620-L623 PolarHBondContact O-N 3.36Å; C620-V624 WeakPolarHBondContact O-CG2 3.25Å; C620-V624 PolarHBondContact O-N 2.81Å; C620-A652 HydrophobicContact CB-CB 4Å; C620-L656 HydrophobicContact CB-CD1 3.97Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.67Å |
| 621 | V | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | Y617 R619 V624 Q625 L656 I676 L679 | Y617-V621 HydrophobicContact CD1-CG2 3.98Å; Y617-V621 HydrophobicContact CE1-CG2 3.64Å; Y617-V621 WeakPolarHBondContact O-CG2 3.45Å; Y617-V621 PolarHBondContact O-N 3.08Å; R619-V621 PolarHBondContact O-N 3.45Å; V621-V624 PolarHBondContact O-N 3.24Å; V621-Q625 WeakPolarHBondContact O-CB 3.35Å; V621-Q625 PolarHBondContact O-N 3.42Å; V621-L656 HydrophobicContact CG2-CD1 4.4Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; V621-I676 HydrophobicContact CG2-CB 4.39Å; V621-I676 HydrophobicContact CG2-CD1 4.33Å; V621-L679 HydrophobicContact CG1-CD1 3.96Å |
| 622 | N | 98.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.3 | -72.7 | -30.2 | 0 | 0 | 0 | 112.8 | Q618 R619 C620 Q625 K626 | Q618-N622 WeakPolarHBondContact O-CB 3.49Å; Q618-N622 PolarHBondContact O-N 2.97Å; Q618-N622 PolarHBondContact O-ND2 3.03Å; Q618-N622 VanDerWaalsContact O-ND2 3.12Å; R619-N622 WeakPolarHBondContact O-CB 3.31Å; R619-N622 PolarHBondContact O-N 3.5Å; R619-N622 VanDerWaalsContact O-N 3.11Å; C620-N622 VanDerWaalsContact C-N 3.27Å; C620-N622 PolarHBondContact O-N 3.24Å; N622-Q625 PolarHBondContact O-N 3.41Å; N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.27Å; N622-K626 PolarHBondContact O-N 3.43Å |
| 623 | L | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.6 | -71 | 171.8 | 0 | 0 | 0 | 110.7 | D586 L591 L595 R619 C620 Q625 K626 T627 F648 A652 | D586-L623 HydrophobicContact CB-CD2 3.79Å; L591-L623 HydrophobicContact CD2-CD1 3.93Å; L595-L623 HydrophobicContact CD1-CD1 4.2Å; R619-L623 WeakPolarHBondContact O-CG 3.44Å; R619-L623 PolarHBondContact O-N 2.94Å; C620-L623 PolarHBondContact O-N 3.36Å; L623-Q625 PolarHBondContact O-N 3.16Å; L623-K626 PolarHBondContact O-N 3.1Å; L623-T627 WeakPolarHBondContact O-CB 3.46Å; L623-T627 PolarHBondContact O-N 3.46Å; L623-T627 PolarHBondContact O-OG1 2.85Å; L623-F648 HydrophobicContact CD2-CD1 4.32Å; L623-A652 HydrophobicContact CB-CB 3.95Å; L623-A652 HydrophobicContact CD1-CB 4.14Å |
| 624 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | C620 V621 K626 T627 L628 M649 A652 L653 L679 | C620-V624 WeakPolarHBondContact O-CG2 3.25Å; C620-V624 PolarHBondContact O-N 2.81Å; V621-V624 PolarHBondContact O-N 3.24Å; V624-K626 PolarHBondContact O-N 3.42Å; V624-T627 PolarHBondContact O-N 2.89Å; V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 HydrophobicContact CG1-CG 4.49Å; V624-L628 WeakPolarHBondContact O-CB 3.46Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.02Å; V624-M649 HydrophobicContact CG2-CB 4.35Å; V624-A652 HydrophobicContact CG2-CB 3.94Å; V624-L653 HydrophobicContact CG2-CD2 4.11Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; V624-L679 HydrophobicContact CG1-CB 3.99Å; V624-L679 HydrophobicContact CG1-CD1 4.29Å |
| 625 | Q | 98.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -44.4 | -179 | -172.1 | 176 | -76.2 | 0 | 0 | 112.9 | V621 N622 L623 A629 N675 L679 | V621-Q625 WeakPolarHBondContact O-CB 3.35Å; V621-Q625 PolarHBondContact O-N 3.42Å; N622-Q625 PolarHBondContact O-N 3.41Å; L623-Q625 PolarHBondContact O-N 3.16Å; Q625-A629 VanDerWaalsContact O-CB 3.32Å; Q625-A629 WeakPolarHBondContact O-CB 3.38Å; Q625-A629 PolarHBondContact O-N 2.88Å; Q625-N675 PolarHBondContact OE1-ND2 3.33Å; Q625-L679 HydrophobicContact CB-CD1 3.9Å; Q625-L679 HydrophobicContact CB-CD2 4.22Å; Q625-L679 HydrophobicContact CG-CD2 4.16Å |
| 626 | K | 97.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 178.2 | -78.8 | 177.2 | 175.8 | -179.6 | 0 | 110.9 | D586 N622 L623 V624 A629 Q630 | D586-K626 IonicContact OD2-NZ 3.8Å; D586-K626 PolarHBondContact OD2-NZ 3.44Å; N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.27Å; N622-K626 PolarHBondContact O-N 3.43Å; L623-K626 PolarHBondContact O-N 3.1Å; V624-K626 PolarHBondContact O-N 3.42Å; K626-A629 PolarHBondContact O-N 3.37Å; K626-Q630 PolarHBondContact O-N 3.26Å |
| 627 | T | 97.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | -177.9 | -48 | 0 | 0 | 0 | 0 | 111.1 | L623 V624 A629 Q630 A631 P644 K646 M649 | L623-T627 WeakPolarHBondContact O-CB 3.46Å; L623-T627 PolarHBondContact O-N 3.46Å; L623-T627 PolarHBondContact O-OG1 2.85Å; V624-T627 PolarHBondContact O-N 2.89Å; T627-A629 PolarHBondContact O-N 2.9Å; T627-Q630 PolarHBondContact O-N 2.9Å; T627-A631 WeakPolarHBondContact O-CB 3.31Å; T627-A631 PolarHBondContact O-N 2.89Å; T627-P644 HydrophobicContact CG2-CB 3.78Å; T627-P644 HydrophobicContact CG2-CG 4.14Å; T627-K646 HydrophobicContact CG2-CG 4.47Å; T627-M649 HydrophobicContact CG2-CB 4.08Å; T627-M649 HydrophobicContact CG2-CE 3.36Å |
| 628 | L | 97.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 173.9 | -73.8 | 172.5 | 0 | 0 | 0 | 112.3 | V624 Q630 A631 M632 M649 L679 Q682 | V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 HydrophobicContact CG1-CG 4.49Å; V624-L628 WeakPolarHBondContact O-CB 3.46Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.02Å; L628-Q630 PolarHBondContact O-N 3.09Å; L628-A631 PolarHBondContact O-N 3.02Å; L628-M632 WeakPolarHBondContact O-CG 3.35Å; L628-M632 PolarHBondContact O-N 3.07Å; L628-M649 HydrophobicContact CD2-SD 4.37Å; L628-L679 HydrophobicContact CD1-CB 4.05Å; L628-L679 HydrophobicContact CD1-CD2 3.97Å; L628-Q682 HydrophobicContact CD1-CB 4.05Å; L628-Q682 HydrophobicContact CD2-CB 4.12Å |
| 629 | A | 96.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 59 Ų | 59 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q625 K626 T627 M632 L633 | Q625-A629 VanDerWaalsContact O-CB 3.32Å; Q625-A629 WeakPolarHBondContact O-CB 3.38Å; Q625-A629 PolarHBondContact O-N 2.88Å; K626-A629 PolarHBondContact O-N 3.37Å; T627-A629 PolarHBondContact O-N 2.9Å; A629-M632 PolarHBondContact O-N 3.12Å; A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 3.03Å; A629-L633 VanDerWaalsContact O-N 3.07Å |
| 630 | Q | 96.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 175.4 | -176 | 175.8 | -6.5 | 0 | 0 | 111.6 | K626 T627 L628 M632 L633 N634 E642 P644 | K626-Q630 PolarHBondContact O-N 3.26Å; T627-Q630 PolarHBondContact O-N 2.9Å; L628-Q630 PolarHBondContact O-N 3.09Å; Q630-M632 VanDerWaalsContact C-N 3.3Å; Q630-M632 PolarHBondContact O-N 3.01Å; Q630-L633 PolarHBondContact O-N 3.18Å; Q630-N634 WeakPolarHBondContact O-CB 3.3Å; Q630-N634 PolarHBondContact O-N 2.93Å; Q630-E642 PolarHBondContact NE2-O 3.35Å; Q630-P644 HydrophobicContact CB-CB 3.99Å; Q630-P644 HydrophobicContact CB-CG 4.29Å; Q630-P644 HydrophobicContact CG-CB 3.85Å; Q630-P644 HydrophobicContact CG-CG 4.26Å |
| 631 | A | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T627 L628 N635 P644 | T627-A631 WeakPolarHBondContact O-CB 3.31Å; T627-A631 PolarHBondContact O-N 2.89Å; L628-A631 PolarHBondContact O-N 3.02Å; A631-N635 VanDerWaalsContact O-CB 3.29Å; A631-N635 WeakPolarHBondContact O-CB 3.5Å; A631-N635 PolarHBondContact O-N 2.77Å; A631-N635 PolarHBondContact O-ND2 3.16Å; A631-P644 HydrophobicContact CB-CG 3.76Å |
| 632 | M | 94.8 | Very high | 94.3 | Very high | 106 Ų | 106 | 76.2 Ų | 76.2 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 175.5 | -71.5 | -177.7 | -177.9 | 0 | 0 | 112.3 | L628 A629 Q630 N635 A636 | L628-M632 WeakPolarHBondContact O-CG 3.35Å; L628-M632 PolarHBondContact O-N 3.07Å; A629-M632 PolarHBondContact O-N 3.12Å; Q630-M632 VanDerWaalsContact C-N 3.3Å; Q630-M632 PolarHBondContact O-N 3.01Å; M632-N635 PolarHBondContact O-N 2.84Å; M632-A636 WeakPolarHBondContact O-CB 3.22Å; M632-A636 PolarHBondContact O-N 3.28Å |
| 633 | L | 95 | Very high | 93.9 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 177.9 | -70 | 173.4 | 0 | 0 | 0 | 111.8 | A629 Q630 A636 Q637 Y641 | A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 3.03Å; A629-L633 VanDerWaalsContact O-N 3.07Å; Q630-L633 PolarHBondContact O-N 3.18Å; L633-A636 PolarHBondContact O-N 3.37Å; L633-Q637 PolarHBondContact O-N 2.88Å; L633-Y641 HydrophobicContact CB-CD1 4.04Å; L633-Y641 HydrophobicContact CB-CD2 3.97Å; L633-Y641 HydrophobicContact CB-CE1 4.35Å; L633-Y641 HydrophobicContact CB-CE2 4.28Å; L633-Y641 HydrophobicContact CB-CG 3.84Å; L633-Y641 HydrophobicContact CD1-CD1 4.22Å; L633-Y641 HydrophobicContact CD1-CE1 3.91Å; L633-Y641 HydrophobicContact CD2-CE2 4.46Å |
| 634 | N | 94.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 16% | 0.16 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 173.9 | 170.1 | -101 | 0 | 0 | 0 | 111.9 | Q630 A636 Q637 P638 Y641 A643 | Q630-N634 WeakPolarHBondContact O-CB 3.3Å; Q630-N634 PolarHBondContact O-N 2.93Å; N634-A636 VanDerWaalsContact C-N 3.28Å; N634-A636 PolarHBondContact O-N 3.09Å; N634-Q637 CarbonylContact O-C 3.42Å; N634-Q637 PolarHBondContact O-N 3.4Å; N634-P638 WeakPolarHBondContact O-CA 3.41Å; N634-P638 WeakPolarHBondContact O-CB 3.27Å; N634-P638 VanDerWaalsContact O-CD 3.27Å; N634-P638 WeakPolarHBondContact O-CD 3.34Å; N634-Y641 PolarHBondContact ND2-O 3.41Å; N634-A643 PolarHBondContact ND2-N 2.99Å |
| 635 | N | 92.6 | Very high | 93.3 | Very high | 116 Ų | 116 | 78.7 Ų | 78.7 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.9 | -34 | 176.9 | -77.6 | -39.9 | 0 | 0 | 0 | 112.7 | A631 M632 | A631-N635 VanDerWaalsContact O-CB 3.29Å; A631-N635 WeakPolarHBondContact O-CB 3.5Å; A631-N635 PolarHBondContact O-N 2.77Å; A631-N635 PolarHBondContact O-ND2 3.16Å; M632-N635 PolarHBondContact O-N 2.84Å |
| 636 | A | 94.2 | Very high | 93.2 | Very high | 76 Ų | 76 | 77 Ų | 77 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -78.8 | -35.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | M632 L633 N634 | M632-A636 WeakPolarHBondContact O-CB 3.22Å; M632-A636 PolarHBondContact O-N 3.28Å; L633-A636 PolarHBondContact O-N 3.37Å; N634-A636 VanDerWaalsContact C-N 3.28Å; N634-A636 PolarHBondContact O-N 3.09Å |
| 637 | Q | 91.6 | Very high | 93 | Very high | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | trans | -144 | 70 | -172.2 | -66.5 | -178.1 | -29.3 | 0 | 0 | 111.2 | L633 N634 E639 Q640 Y641 | L633-Q637 PolarHBondContact O-N 2.88Å; N634-Q637 CarbonylContact O-C 3.42Å; N634-Q637 PolarHBondContact O-N 3.4Å; Q637-E639 PolarHBondContact O-N 3.22Å; Q637-E639 VanDerWaalsContact O-N 3.17Å; Q637-Q640 HydrophobicContact CB-CB 4.32Å; Q637-Q640 PolarHBondContact O-N 3.18Å; Q637-Y641 HydrophobicContact CB-CD2 3.98Å; Q637-Y641 HydrophobicContact CB-CE2 4.35Å; Q637-Y641 PolarHBondContact O-N 3.02Å; Q637-Y641 VanDerWaalsContact O-N 3.13Å | ||
| 638 | P | 88.3 | Confident | 92.9 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.1 | -172.4 | 25.5 | -34.7 | 0 | 0 | 0 | 113.7 | N634 | N634-P638 WeakPolarHBondContact O-CA 3.41Å; N634-P638 WeakPolarHBondContact O-CB 3.27Å; N634-P638 VanDerWaalsContact O-CD 3.27Å; N634-P638 WeakPolarHBondContact O-CD 3.34Å |
| 639 | E | 90.5 | Very high | 92.8 | Very high | 197 Ų | 197 | 73.1 Ų | 73.1 | 92% | 0.921 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19.2 | 175.4 | -62.4 | -178.9 | 175.3 | 0 | 0 | 113.3 | Q637 | Q637-E639 PolarHBondContact O-N 3.22Å; Q637-E639 VanDerWaalsContact O-N 3.17Å |
| 640 | Q | 87.1 | Confident | 92.8 | Very high | 142 Ų | 142 | 70.9 Ų | 70.9 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -28.3 | -175.9 | -66.1 | -175.7 | 16.4 | 0 | 0 | 113.4 | Q637 | Q637-Q640 HydrophobicContact CB-CB 4.32Å; Q637-Q640 PolarHBondContact O-N 3.18Å |
| 641 | Y | 87.3 | Confident | 92.8 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -122 | 131.9 | -176.4 | -66.5 | -84.4 | 0 | 0 | 0 | 110.2 | L633 N634 Q637 | L633-Y641 HydrophobicContact CB-CD1 4.04Å; L633-Y641 HydrophobicContact CB-CD2 3.97Å; L633-Y641 HydrophobicContact CB-CE1 4.35Å; L633-Y641 HydrophobicContact CB-CE2 4.28Å; L633-Y641 HydrophobicContact CB-CG 3.84Å; L633-Y641 HydrophobicContact CD1-CD1 4.22Å; L633-Y641 HydrophobicContact CD1-CE1 3.91Å; L633-Y641 HydrophobicContact CD2-CE2 4.46Å; N634-Y641 PolarHBondContact ND2-O 3.41Å; Q637-Y641 HydrophobicContact CB-CD2 3.98Å; Q637-Y641 HydrophobicContact CB-CE2 4.35Å; Q637-Y641 PolarHBondContact O-N 3.02Å; Q637-Y641 VanDerWaalsContact O-N 3.13Å |
| 642 | E | 89.3 | Confident | 92.9 | Very high | 168 Ų | 168 | 66.7 Ų | 66.7 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 145.9 | 172.6 | -66.5 | 177.6 | 177.2 | 0 | 0 | 110.7 | Q630 | Q630-E642 PolarHBondContact NE2-O 3.35Š|
| 643 | A | 89.8 | Confident | 93.1 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 135.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N634 | N634-A643 PolarHBondContact ND2-N 2.99Š|
| 644 | P | 93.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 149.3 | 177.4 | 29 | -33.3 | 0 | 0 | 0 | 111 | T627 Q630 A631 K646 | T627-P644 HydrophobicContact CG2-CB 3.78Å; T627-P644 HydrophobicContact CG2-CG 4.14Å; Q630-P644 HydrophobicContact CB-CB 3.99Å; Q630-P644 HydrophobicContact CB-CG 4.29Å; Q630-P644 HydrophobicContact CG-CB 3.85Å; Q630-P644 HydrophobicContact CG-CG 4.26Å; A631-P644 HydrophobicContact CB-CG 3.76Å; P644-K646 PolarHBondContact O-N 3.16Å |
| 645 | D | 92.5 | Very high | 93.4 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | trans | -69.7 | 110.7 | 161.9 | -169.7 | -18.5 | 0 | 0 | 0 | 108.2 | K589 D647 F648 | K589-D645 WeakPolarHBondContact CE-OD2 3.43Å; K589-D645 IonicContact NZ-OD2 2.62Å; K589-D645 PolarHBondContact NZ-OD2 2.93Å; D645-D647 VanDerWaalsContact C-N 3.28Å; D645-D647 WeakPolarHBondContact OD1-CB 3.4Å; D645-D647 PolarHBondContact OD1-N 3.21Å; D645-D647 VanDerWaalsContact OD1-N 3.15Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.18Å | ||
| 646 | K | 94.9 | Very high | 93.7 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -78.2 | -15.6 | -174.1 | -67.2 | -164.4 | -176.9 | -171.8 | 0 | 112.7 | T627 P644 F648 M649 I650 D686 M688 V691 | T627-K646 HydrophobicContact CG2-CG 4.47Å; P644-K646 PolarHBondContact O-N 3.16Å; K646-F648 PolarHBondContact O-N 2.83Å; K646-M649 HydrophobicContact CB-CE 3.93Å; K646-M649 HydrophobicContact CD-CE 3.83Å; K646-M649 HydrophobicContact CG-CE 3.7Å; K646-M649 WeakPolarHBondContact O-CG 3.29Å; K646-M649 PolarHBondContact O-N 3.4Å; K646-I650 WeakPolarHBondContact O-CG1 3.43Å; K646-I650 PolarHBondContact O-N 2.9Å; K646-D686 IonicContact NZ-OD1 2.78Å; K646-D686 PolarHBondContact NZ-OD1 3.45Å; K646-D686 IonicContact NZ-OD2 3.64Å; K646-D686 PolarHBondContact NZ-OD2 3.1Å; K646-M688 HydrophobicContact CB-SD 3.84Å; K646-M688 HydrophobicContact CD-CB 4.34Å; K646-M688 HydrophobicContact CD-SD 3.94Å; K646-M688 HydrophobicContact CG-SD 4.41Å; K646-V691 HydrophobicContact CB-CG2 4.22Å; K646-V691 HydrophobicContact CD-CG2 4.06Å |
| 647 | D | 93.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -41.8 | 179.5 | -70.4 | -1.1 | 0 | 0 | 0 | 110.7 | H348 F592 D645 M649 I650 V651 | H348-D647 HydrophobicContact CB-CB 3.79Å; H348-D647 PolarHBondContact N-OD2 3.18Å; H348-D647 VanDerWaalsContact N-OD2 3.13Å; F592-D647 HydrophobicContact CE1-CB 4.08Å; F592-D647 HydrophobicContact CE2-CB 3.87Å; F592-D647 HydrophobicContact CZ-CB 3.58Å; D645-D647 VanDerWaalsContact C-N 3.28Å; D645-D647 WeakPolarHBondContact OD1-CB 3.4Å; D645-D647 PolarHBondContact OD1-N 3.21Å; D645-D647 VanDerWaalsContact OD1-N 3.15Å; D647-M649 PolarHBondContact O-N 3.02Å; D647-M649 VanDerWaalsContact O-N 3.14Å; D647-I650 WeakPolarHBondContact O-CA 3.47Å; D647-I650 PolarHBondContact O-N 3.22Å; D647-V651 WeakPolarHBondContact O-CG2 3.45Å; D647-V651 PolarHBondContact O-N 2.81Å |
| 648 | F | 95.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.3 | -36.2 | 175 | -74.6 | -78.1 | 0 | 0 | 0 | 114.2 | D586 D588 K589 F592 L623 D645 K646 A652 | D586-F648 WeakPolarHBondContact O-CD1 3.42Å; D586-F648 WeakPolarHBondContact O-CE1 3.43Å; D588-F648 WeakPolarHBondContact O-CE1 3.4Å; K589-F648 HydrophobicContact CG-CZ 4.36Å; F592-F648 HydrophobicContact CD1-CD1 4.35Å; F592-F648 HydrophobicContact CD1-CE1 4.32Å; F592-F648 HydrophobicContact CE1-CB 4.44Å; F592-F648 AromaticContact CE1-CD1 3.54Å; F592-F648 HydrophobicContact CE1-CD1 3.54Å; F592-F648 AromaticContact CE1-CD2 3.87Å; F592-F648 HydrophobicContact CE1-CD2 3.87Å; F592-F648 AromaticContact CE1-CE1 3.53Å; F592-F648 HydrophobicContact CE1-CE1 3.53Å; F592-F648 AromaticContact CE1-CE2 3.87Å; F592-F648 HydrophobicContact CE1-CE2 3.87Å; F592-F648 AromaticContact CE1-CG 3.7Å; F592-F648 HydrophobicContact CE1-CG 3.7Å; F592-F648 AromaticContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CZ-CD1 4.42Å; F592-F648 AromaticContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CE1 4.22Å; F592-F648 AromaticContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CG 4.3Å; F592-F648 AromaticContact CZ-CZ 3.9Å; F592-F648 HydrophobicContact CZ-CZ 3.9Å; L623-F648 HydrophobicContact CD2-CD1 4.32Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.18Å; K646-F648 PolarHBondContact O-N 2.83Å; F648-A652 WeakPolarHBondContact O-CB 3.31Å; F648-A652 PolarHBondContact O-N 3.21Å |
| 649 | M | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.7 | -35 | 176.3 | 99.5 | 172.4 | 76.3 | 0 | 0 | 111.4 | V624 T627 L628 K646 D647 A652 L653 V691 | V624-M649 HydrophobicContact CG2-CB 4.35Å; T627-M649 HydrophobicContact CG2-CB 4.08Å; T627-M649 HydrophobicContact CG2-CE 3.36Å; L628-M649 HydrophobicContact CD2-SD 4.37Å; K646-M649 HydrophobicContact CB-CE 3.93Å; K646-M649 HydrophobicContact CD-CE 3.83Å; K646-M649 HydrophobicContact CG-CE 3.7Å; K646-M649 WeakPolarHBondContact O-CG 3.29Å; K646-M649 PolarHBondContact O-N 3.4Å; D647-M649 PolarHBondContact O-N 3.02Å; D647-M649 VanDerWaalsContact O-N 3.14Å; M649-A652 PolarHBondContact O-N 3.14Å; M649-L653 HydrophobicContact CG-CD1 4.37Å; M649-L653 WeakPolarHBondContact O-CB 3.33Å; M649-L653 WeakPolarHBondContact O-CG 3.3Å; M649-L653 PolarHBondContact O-N 3.33Å; M649-V691 HydrophobicContact CE-CG2 4.25Å; M649-V691 HydrophobicContact CG-CG1 4.26Å; M649-V691 HydrophobicContact CG-CG2 4.13Å; M649-V691 HydrophobicContact SD-CB 4.36Å; M649-V691 HydrophobicContact SD-CG1 3.46Å; M649-V691 WeakPolarHBondContact SD-CG1 3.41Å; M649-V691 HydrophobicContact SD-CG2 3.9Å |
| 650 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -55 | -177.5 | -57.1 | 167.9 | 0 | 0 | 0 | 109.2 | H348 K646 D647 A652 L653 D654 M688 E690 V691 S694 | H348-I650 WeakPolarHBondContact CD2-CG2 3.41Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.34Å; K646-I650 WeakPolarHBondContact O-CG1 3.43Å; K646-I650 PolarHBondContact O-N 2.9Å; D647-I650 WeakPolarHBondContact O-CA 3.47Å; D647-I650 PolarHBondContact O-N 3.22Å; I650-A652 PolarHBondContact O-N 3.1Å; I650-L653 WeakPolarHBondContact O-CB 3.36Å; I650-L653 PolarHBondContact O-N 3.4Å; I650-D654 PolarHBondContact O-N 3.19Å; I650-M688 HydrophobicContact CD1-CE 3.96Å; I650-M688 HydrophobicContact CD1-SD 4.23Å; I650-E690 HydrophobicContact CD1-CB 3.71Å; I650-V691 HydrophobicContact CD1-CG2 3.99Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; I650-S694 WeakPolarHBondContact CG2-OG 3.26Å |
| 651 | V | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -31.7 | 175.6 | -73.8 | 0 | 0 | 0 | 0 | 113.4 | H348 F592 L595 E596 D647 L655 | H348-V651 HydrophobicContact CB-CG1 3.95Å; H348-V651 VanDerWaalsContact CE1-CG1 3.44Å; H348-V651 WeakPolarHBondContact CE1-CG1 3.1Å; H348-V651 WeakPolarHBondContact ND1-CG1 3.38Å; F592-V651 HydrophobicContact CB-CG1 4.18Å; F592-V651 HydrophobicContact CD1-CG1 4.49Å; F592-V651 HydrophobicContact CD1-CG2 3.81Å; F592-V651 HydrophobicContact CE1-CG2 4.35Å; L595-V651 HydrophobicContact CB-CB 3.9Å; L595-V651 HydrophobicContact CB-CG2 4.31Å; L595-V651 HydrophobicContact CD1-CB 3.86Å; L595-V651 HydrophobicContact CD1-CG2 3.32Å; L595-V651 HydrophobicContact CG-CB 4.49Å; L595-V651 HydrophobicContact CG-CG2 4.42Å; E596-V651 HydrophobicContact CG-CG1 4.18Å; D647-V651 WeakPolarHBondContact O-CG2 3.45Å; D647-V651 PolarHBondContact O-N 2.81Å; V651-L655 PolarHBondContact O-N 2.8Å; V651-L655 VanDerWaalsContact O-N 3.07Å |
| 652 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | C620 L623 V624 F648 M649 I650 L656 | C620-A652 HydrophobicContact CB-CB 4Å; L623-A652 HydrophobicContact CB-CB 3.95Å; L623-A652 HydrophobicContact CD1-CB 4.14Å; V624-A652 HydrophobicContact CG2-CB 3.94Å; F648-A652 WeakPolarHBondContact O-CB 3.31Å; F648-A652 PolarHBondContact O-N 3.21Å; M649-A652 PolarHBondContact O-N 3.14Å; I650-A652 PolarHBondContact O-N 3.1Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.28Å; A652-L656 PolarHBondContact O-N 2.96Å |
| 653 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 173.6 | -73.6 | 166.9 | 0 | 0 | 0 | 110.9 | V624 M649 I650 L656 S657 C683 L698 | V624-L653 HydrophobicContact CG2-CD2 4.11Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; M649-L653 HydrophobicContact CG-CD1 4.37Å; M649-L653 WeakPolarHBondContact O-CB 3.33Å; M649-L653 WeakPolarHBondContact O-CG 3.3Å; M649-L653 PolarHBondContact O-N 3.33Å; I650-L653 WeakPolarHBondContact O-CB 3.36Å; I650-L653 PolarHBondContact O-N 3.4Å; L653-L656 WeakPolarHBondContact O-CB 3.38Å; L653-L656 PolarHBondContact O-N 2.94Å; L653-S657 PolarHBondContact O-N 3.44Å; L653-C683 HydrophobicContact CD1-CB 4.16Å; L653-L698 HydrophobicContact CD2-CD2 3.65Å |
| 654 | D | 97.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 14.3 Ų | 14.3 | 6% | 0.064 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.2 | -71.8 | -6.9 | 0 | 0 | 0 | 111.7 | H348 I650 L656 S657 G658 S694 | H348-D654 IonicContact CE1-OD2 3.4Å; H348-D654 IonicContact NE2-OD2 2.67Å; I650-D654 PolarHBondContact O-N 3.19Å; D654-L656 VanDerWaalsContact C-N 3.35Å; D654-L656 PolarHBondContact O-N 3.02Å; D654-S657 WeakPolarHBondContact O-CA 3.47Å; D654-S657 WeakPolarHBondContact O-CB 3.42Å; D654-S657 PolarHBondContact O-N 3.11Å; D654-S657 VanDerWaalsContact O-N 3.07Å; D654-G658 PolarHBondContact O-N 3.48Å; D654-S694 WeakPolarHBondContact OD1-CB 3.5Å; D654-S694 PolarHBondContact OD1-OG 3.48Å |
| 655 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 174.1 | -179.2 | 51.8 | 0 | 0 | 0 | 112.7 | W581 L595 L598 S599 A602 V616 V651 S657 G658 L659 | W581-L655 HydrophobicContact CH2-CD2 4.33Å; W581-L655 HydrophobicContact CZ3-CD2 4.49Å; L595-L655 HydrophobicContact CD2-CB 4.26Å; L595-L655 HydrophobicContact CD2-CD2 3.39Å; L595-L655 HydrophobicContact CD2-CG 4.46Å; L598-L655 VanDerWaalsContact C-CD1 3.45Å; L598-L655 HydrophobicContact CB-CD1 3.88Å; L598-L655 HydrophobicContact CB-CD2 3.91Å; L598-L655 HydrophobicContact CD1-CD2 4.4Å; L598-L655 WeakPolarHBondContact O-CD1 3.41Å; S599-L655 WeakPolarHBondContact OG-CA 3.41Å; S599-L655 WeakPolarHBondContact OG-CB 3.49Å; S599-L655 PolarHBondContact OG-N 2.97Å; A602-L655 HydrophobicContact CB-CD1 4.37Å; V616-L655 HydrophobicContact CG1-CD1 4.43Å; V616-L655 HydrophobicContact CG1-CD2 3.48Å; V616-L655 VanDerWaalsContact CG1-CD2 3.48Å; V616-L655 HydrophobicContact CG1-CG 4.06Å; V651-L655 PolarHBondContact O-N 2.8Å; V651-L655 VanDerWaalsContact O-N 3.07Å; L655-S657 PolarHBondContact O-N 3.02Å; L655-G658 PolarHBondContact O-N 3.24Å; L655-L659 HydrophobicContact CD1-CG 4.25Å; L655-L659 HydrophobicContact CG-CD1 4.4Å; L655-L659 WeakPolarHBondContact O-CB 3.39Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.07Å; L655-L659 PolarHBondContact O-N 3.4Å |
| 656 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.1 | -35.5 | 171.9 | -70.7 | 167.4 | 0 | 0 | 0 | 111.3 | Y617 C620 V621 A652 L653 D654 L659 A660 I676 L698 | Y617-L656 HydrophobicContact CD2-CD2 3.29Å; Y617-L656 HydrophobicContact CE2-CD2 3.45Å; Y617-L656 VanDerWaalsContact CE2-CD2 3.45Å; Y617-L656 HydrophobicContact CG-CD2 3.94Å; C620-L656 HydrophobicContact CB-CD1 3.97Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.67Å; V621-L656 HydrophobicContact CG2-CD1 4.4Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.28Å; A652-L656 PolarHBondContact O-N 2.96Å; L653-L656 WeakPolarHBondContact O-CB 3.38Å; L653-L656 PolarHBondContact O-N 2.94Å; D654-L656 VanDerWaalsContact C-N 3.35Å; D654-L656 PolarHBondContact O-N 3.02Å; L656-L659 HydrophobicContact CD2-CD1 4.49Å; L656-A660 WeakPolarHBondContact O-CB 3.37Å; L656-A660 PolarHBondContact O-N 3.15Å; L656-I676 HydrophobicContact CD1-CD1 3.67Å; L656-I676 HydrophobicContact CD1-CG1 4.25Å; L656-L698 VanDerWaalsContact C-CD1 3.49Å; L656-L698 HydrophobicContact CB-CD1 3.7Å; L656-L698 HydrophobicContact CB-CD2 3.95Å; L656-L698 HydrophobicContact CB-CG 4.47Å; L656-L698 HydrophobicContact CD1-CD2 4.24Å |
| 657 | S | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -53.2 | 173.8 | -137.8 | 0 | 0 | 0 | 0 | 110.4 | L653 D654 L655 L659 A660 E661 A697 L698 D701 | L653-S657 PolarHBondContact O-N 3.44Å; D654-S657 WeakPolarHBondContact O-CA 3.47Å; D654-S657 WeakPolarHBondContact O-CB 3.42Å; D654-S657 PolarHBondContact O-N 3.11Å; D654-S657 VanDerWaalsContact O-N 3.07Å; L655-S657 PolarHBondContact O-N 3.02Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 2.6Å; S657-A660 WeakPolarHBondContact O-CA 3.36Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.08Å; S657-E661 PolarHBondContact O-N 2.65Å; S657-A697 PolarHBondContact OG-O 2.92Å; S657-L698 WeakPolarHBondContact OG-CA 2.93Å; S657-L698 PolarHBondContact OG-N 2.74Å; S657-D701 WeakPolarHBondContact CB-OD2 3.36Å; S657-D701 PolarHBondContact OG-OD2 2.72Å |
| 658 | G | 97.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T603 D654 L655 G662 | T603-G658 WeakPolarHBondContact OG1-CA 3.36Å; T603-G658 PolarHBondContact OG1-O 3.25Å; D654-G658 PolarHBondContact O-N 3.48Å; L655-G658 PolarHBondContact O-N 3.24Å; G658-G662 PolarHBondContact O-N 3.17Å |
| 659 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 170.5 | -74 | 170.8 | 0 | 0 | 0 | 112.1 | A602 F609 C613 V616 Y617 L655 L656 S657 L663 I667 | A602-L659 HydrophobicContact CB-CD2 3.89Å; A602-L659 HydrophobicContact CB-CG 4.32Å; F609-L659 HydrophobicContact CD1-CD2 3.6Å; F609-L659 HydrophobicContact CE1-CD2 3.55Å; F609-L659 HydrophobicContact CZ-CD2 4.42Å; C613-L659 HydrophobicContact CB-CD2 4.4Å; V616-L659 HydrophobicContact CG1-CD1 4.14Å; Y617-L659 HydrophobicContact CD2-CD1 4.22Å; L655-L659 HydrophobicContact CD1-CG 4.25Å; L655-L659 HydrophobicContact CG-CD1 4.4Å; L655-L659 WeakPolarHBondContact O-CB 3.39Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.07Å; L655-L659 PolarHBondContact O-N 3.4Å; L656-L659 HydrophobicContact CD2-CD1 4.49Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 2.6Å; L659-L663 HydrophobicContact CB-CD1 4.37Å; L659-L663 HydrophobicContact CD2-CD1 4.07Å; L659-L663 WeakPolarHBondContact O-CB 3.31Å; L659-L663 VanDerWaalsContact O-CG 3.25Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.01Å; L659-I667 HydrophobicContact CB-CD1 3.98Å |
| 660 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L656 S657 G664 I667 D701 L702 | L656-A660 WeakPolarHBondContact O-CB 3.37Å; L656-A660 PolarHBondContact O-N 3.15Å; S657-A660 WeakPolarHBondContact O-CA 3.36Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.08Å; A660-G664 WeakPolarHBondContact O-CA 3.41Å; A660-G664 PolarHBondContact O-N 3.25Å; A660-G664 VanDerWaalsContact O-N 3.13Å; A660-I667 HydrophobicContact CB-CD1 3.9Å; A660-D701 HydrophobicContact CB-CB 3.7Å; A660-L702 HydrophobicContact CB-CD2 3.87Å; A660-L702 HydrophobicContact CB-CG 4.36Å |
| 661 | E | 96.9 | Very high | 97.6 | Very high | 85 Ų | 85 | 23 Ų | 23 | 40% | 0.397 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.6 | -54.4 | 175.1 | -171.5 | 179.1 | -178.8 | 0 | 0 | 111.4 | R351 T603 S657 | R351-E661 IonicContact NH2-OE2 2.68Å; T603-E661 HydrophobicContact CG2-CB 4.5Å; T603-E661 HydrophobicContact CG2-CG 4.02Å; S657-E661 PolarHBondContact O-N 2.65Å |
| 662 | G | 97.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.1 | -45.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q606 G658 | Q606-G662 CarbonylContact C-O 3.5Å; Q606-G662 WeakPolarHBondContact CA-O 3.39Å; Q606-G662 WeakPolarHBondContact CB-O 3.33Å; G658-G662 PolarHBondContact O-N 3.17Å |
| 663 | L | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -78.8 | -22.4 | -176.1 | -62.4 | 174.3 | 0 | 0 | 0 | 113 | Q606 F609 L610 C613 L659 G665 N666 I667 | Q606-L663 WeakPolarHBondContact O-CD2 3.36Å; F609-L663 HydrophobicContact CB-CD2 4.26Å; L610-L663 HydrophobicContact CD2-CD2 3.85Å; L610-L663 HydrophobicContact CG-CD2 4.11Å; C613-L663 HydrophobicContact CB-CD1 3.7Å; L659-L663 HydrophobicContact CB-CD1 4.37Å; L659-L663 HydrophobicContact CD2-CD1 4.07Å; L659-L663 WeakPolarHBondContact O-CB 3.31Å; L659-L663 VanDerWaalsContact O-CG 3.25Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.01Å; L663-G665 PolarHBondContact O-N 2.89Å; L663-N666 HydrophobicContact CB-CB 4.33Å; L663-N666 WeakPolarHBondContact O-CB 3.32Å; L663-N666 PolarHBondContact O-N 2.74Å; L663-N666 VanDerWaalsContact O-N 3.15Å; L663-N666 PolarHBondContact O-ND2 3.36Å; L663-I667 HydrophobicContact CB-CB 4.25Å; L663-I667 HydrophobicContact CD1-CB 4.4Å; L663-I667 HydrophobicContact CD1-CG1 4.37Å |
| 664 | G | 96.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | 49.6 | -133.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A660 N666 I667 | A660-G664 WeakPolarHBondContact O-CA 3.41Å; A660-G664 PolarHBondContact O-N 3.25Å; A660-G664 VanDerWaalsContact O-N 3.13Å; G664-N666 PolarHBondContact O-N 3.46Å; G664-I667 VanDerWaalsContact O-CG2 3.27Å; G664-I667 WeakPolarHBondContact O-CG2 3.39Å; G664-I667 PolarHBondContact O-N 3.48Å |
| 665 | G | 96.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 38 Ų | 38 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -56.5 | -17 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L663 I667 E668 A705 | L663-G665 PolarHBondContact O-N 2.89Å; G665-I667 PolarHBondContact O-N 3.21Å; G665-E668 WeakPolarHBondContact O-CB 3.42Å; G665-E668 PolarHBondContact O-N 3.31Å; G665-A705 WeakPolarHBondContact CA-O 3.06Å |
| 666 | N | 97.7 | Very high | 97.6 | Very high | 95 Ų | 95 | 38.1 Ų | 38.1 | 51% | 0.508 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -69.8 | -17.5 | 176.5 | -59.7 | -72.1 | 0 | 0 | 0 | 113.5 | L610 L663 G664 E668 | L610-N666 HydrophobicContact CD2-CB 3.76Å; L663-N666 HydrophobicContact CB-CB 4.33Å; L663-N666 WeakPolarHBondContact O-CB 3.32Å; L663-N666 PolarHBondContact O-N 2.74Å; L663-N666 VanDerWaalsContact O-N 3.15Å; L663-N666 PolarHBondContact O-ND2 3.36Å; G664-N666 PolarHBondContact O-N 3.46Å; N666-E668 PolarHBondContact O-N 3.25Å |
| 667 | I | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -73.3 | -16.2 | 176.7 | -156 | 171.7 | 0 | 0 | 0 | 112.9 | Y617 L659 A660 L663 G664 G665 Q669 L670 V671 L702 A705 | Y617-I667 HydrophobicContact CD2-CD1 4.19Å; Y617-I667 HydrophobicContact CD2-CG1 4.41Å; Y617-I667 HydrophobicContact CE2-CD1 3.98Å; Y617-I667 HydrophobicContact CE2-CG1 4.19Å; L659-I667 HydrophobicContact CB-CD1 3.98Å; A660-I667 HydrophobicContact CB-CD1 3.9Å; L663-I667 HydrophobicContact CB-CB 4.25Å; L663-I667 HydrophobicContact CD1-CB 4.4Å; L663-I667 HydrophobicContact CD1-CG1 4.37Å; G664-I667 VanDerWaalsContact O-CG2 3.27Å; G664-I667 WeakPolarHBondContact O-CG2 3.39Å; G664-I667 PolarHBondContact O-N 3.48Å; G665-I667 PolarHBondContact O-N 3.21Å; I667-Q669 VanDerWaalsContact C-N 3.3Å; I667-Q669 PolarHBondContact O-N 3Å; I667-Q669 VanDerWaalsContact O-N 3.12Å; I667-L670 HydrophobicContact CG1-CB 4.4Å; I667-L670 HydrophobicContact CG1-CD1 4.34Å; I667-L670 WeakPolarHBondContact O-CB 3.5Å; I667-L670 PolarHBondContact O-N 2.85Å; I667-V671 HydrophobicContact CG1-CG2 4.26Å; I667-V671 HydrophobicContact CG2-CG2 4.24Å; I667-V671 PolarHBondContact O-N 3.17Å; I667-V671 VanDerWaalsContact O-N 3.17Å; I667-L702 HydrophobicContact CG2-CD2 4.44Å; I667-A705 HydrophobicContact CG2-CB 4Å |
| 668 | E | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 43 Ų | 43 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -47.6 | -48.2 | -172.6 | -179.2 | -172.3 | -176 | 0 | 0 | 113 | G665 N666 L670 V671 A672 C706 Q708 H709 | G665-E668 WeakPolarHBondContact O-CB 3.42Å; G665-E668 PolarHBondContact O-N 3.31Å; N666-E668 PolarHBondContact O-N 3.25Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.88Å; E668-V671 PolarHBondContact O-N 3.4Å; E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.34Å; E668-C706 HydrophobicContact CB-CB 4.23Å; E668-C706 HydrophobicContact CG-CB 4.45Å; E668-Q708 PolarHBondContact OE1-NE2 3.31Å; E668-H709 VanDerWaalsContact CG-NE2 3.33Å; E668-H709 WeakPolarHBondContact CG-NE2 3.24Å; E668-H709 IonicContact OE1-NE2 2.79Å |
| 669 | Q | 97.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.7 | -29.8 | -177 | -71 | -64.7 | -47.5 | 0 | 0 | 113.1 | I667 R673 | I667-Q669 VanDerWaalsContact C-N 3.3Å; I667-Q669 PolarHBondContact O-N 3Å; I667-Q669 VanDerWaalsContact O-N 3.12Å; Q669-R673 WeakPolarHBondContact O-CB 3.31Å; Q669-R673 WeakPolarHBondContact O-CD 3.44Å; Q669-R673 WeakPolarHBondContact O-CG 3.29Å; Q669-R673 PolarHBondContact O-N 3.01Å |
| 670 | L | 98.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.7 | -41 | 176.7 | -63 | 174.8 | 0 | 0 | 0 | 110.5 | C613 E614 Y617 I667 E668 R673 S674 | C613-L670 HydrophobicContact CB-CD1 4.27Å; E614-L670 HydrophobicContact CB-CD2 4.1Å; E614-L670 HydrophobicContact CG-CD2 3.99Å; Y617-L670 HydrophobicContact CD1-CB 3.81Å; Y617-L670 HydrophobicContact CD1-CD1 4.43Å; Y617-L670 HydrophobicContact CD1-CD2 4.47Å; Y617-L670 HydrophobicContact CD1-CG 4.47Å; Y617-L670 HydrophobicContact CD2-CB 4.14Å; Y617-L670 HydrophobicContact CD2-CD1 4.14Å; Y617-L670 HydrophobicContact CE1-CB 3.71Å; Y617-L670 WeakPolarHBondContact CE1-O 3.5Å; Y617-L670 HydrophobicContact CE2-CB 4.07Å; Y617-L670 HydrophobicContact CG-CB 4.01Å; Y617-L670 HydrophobicContact CG-CD1 3.94Å; Y617-L670 HydrophobicContact CG-CG 4.45Å; Y617-L670 PolarHBondContact OH-O 3.08Å; I667-L670 HydrophobicContact CG1-CB 4.4Å; I667-L670 HydrophobicContact CG1-CD1 4.34Å; I667-L670 WeakPolarHBondContact O-CB 3.5Å; I667-L670 PolarHBondContact O-N 2.85Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.88Å; L670-R673 PolarHBondContact O-N 2.88Å; L670-S674 WeakPolarHBondContact O-CB 3.48Å; L670-S674 PolarHBondContact O-N 2.97Å; L670-S674 PolarHBondContact O-OG 2.9Å |
| 671 | V | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 111 | Y617 I667 E668 R673 S674 I676 L677 L702 H709 | Y617-V671 WeakPolarHBondContact OH-CA 3.46Å; Y617-V671 PolarHBondContact OH-N 3.42Å; I667-V671 HydrophobicContact CG1-CG2 4.26Å; I667-V671 HydrophobicContact CG2-CG2 4.24Å; I667-V671 PolarHBondContact O-N 3.17Å; I667-V671 VanDerWaalsContact O-N 3.17Å; E668-V671 PolarHBondContact O-N 3.4Å; V671-R673 PolarHBondContact O-N 3.03Å; V671-S674 PolarHBondContact O-N 3.39Å; V671-I676 HydrophobicContact CG1-CG2 4.21Å; V671-L677 HydrophobicContact CG1-CD1 4.46Å; V671-L677 HydrophobicContact CG1-CG 4.49Å; V671-L702 HydrophobicContact CG2-CD2 3.69Å; V671-H709 HydrophobicContact CG1-CB 4Å |
| 672 | A | 97.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -26.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E668 | E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.34Å |
| 673 | R | 96.6 | Very high | 97.8 | Very high | 177 Ų | 177 | 45.2 Ų | 45.2 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -97.6 | -6.6 | -178.2 | -68 | 175.3 | -169 | 177.3 | 7.1 | 113.7 | Q669 L670 V671 | Q669-R673 WeakPolarHBondContact O-CB 3.31Å; Q669-R673 WeakPolarHBondContact O-CD 3.44Å; Q669-R673 WeakPolarHBondContact O-CG 3.29Å; Q669-R673 PolarHBondContact O-N 3.01Å; L670-R673 PolarHBondContact O-N 2.88Å; V671-R673 PolarHBondContact O-N 3.03Å |
| 674 | S | 97.7 | Very high | 97.8 | Very high | 37 Ų | 37 | 45 Ų | 45 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -110.2 | 172.8 | 179.9 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | Y617 L670 V671 I676 | Y617-S674 PolarHBondContact OH-OG 2.96Å; L670-S674 WeakPolarHBondContact O-CB 3.48Å; L670-S674 PolarHBondContact O-N 2.97Å; L670-S674 PolarHBondContact O-OG 2.9Å; V671-S674 PolarHBondContact O-N 3.39Å; S674-I676 WeakPolarHBondContact OG-CB 3.26Å; S674-I676 WeakPolarHBondContact OG-CG2 3.39Å; S674-I676 PolarHBondContact OG-N 2.68Å |
| 675 | N | 97.2 | Very high | 97.9 | Very high | 63 Ų | 63 | 48.9 Ų | 48.9 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | trans | -100.3 | 20 | 173.2 | 60.5 | -19.3 | 0 | 0 | 0 | 112.1 | Q625 L677 T678 L679 | Q625-N675 PolarHBondContact OE1-ND2 3.33Å; N675-L677 VanDerWaalsContact C-N 3.3Å; N675-L677 PolarHBondContact O-N 3.05Å; N675-T678 WeakPolarHBondContact O-CB 3.41Å; N675-T678 PolarHBondContact O-N 3.35Å; N675-L679 PolarHBondContact O-N 3.01Å; N675-L679 VanDerWaalsContact O-N 3.11Å | ||
| 676 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -38.6 | -170 | -171.3 | 53.9 | 0 | 0 | 0 | 112.8 | Y617 V621 L656 V671 S674 T678 L679 M680 L698 | Y617-I676 WeakPolarHBondContact OH-CG2 3.41Å; V621-I676 HydrophobicContact CG2-CB 4.39Å; V621-I676 HydrophobicContact CG2-CD1 4.33Å; L656-I676 HydrophobicContact CD1-CD1 3.67Å; L656-I676 HydrophobicContact CD1-CG1 4.25Å; V671-I676 HydrophobicContact CG1-CG2 4.21Å; S674-I676 WeakPolarHBondContact OG-CB 3.26Å; S674-I676 WeakPolarHBondContact OG-CG2 3.39Å; S674-I676 PolarHBondContact OG-N 2.68Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.06Å; I676-L679 HydrophobicContact CD1-CB 4.45Å; I676-L679 PolarHBondContact O-N 2.98Å; I676-L679 VanDerWaalsContact O-N 3.13Å; I676-M680 VanDerWaalsContact O-CB 3.25Å; I676-M680 WeakPolarHBondContact O-CB 3.34Å; I676-M680 PolarHBondContact O-N 3.39Å; I676-L698 HydrophobicContact CD1-CD2 4.23Å; I676-L698 HydrophobicContact CG1-CD2 4.07Å |
| 677 | L | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 179.1 | -64.1 | 175.1 | 0 | 0 | 0 | 112.4 | V671 N675 M680 Y681 L702 H709 V710 | V671-L677 HydrophobicContact CG1-CD1 4.46Å; V671-L677 HydrophobicContact CG1-CG 4.49Å; N675-L677 VanDerWaalsContact C-N 3.3Å; N675-L677 PolarHBondContact O-N 3.05Å; L677-M680 HydrophobicContact CD2-CE 3.64Å; L677-Y681 PolarHBondContact O-N 2.82Å; L677-L702 HydrophobicContact CD2-CD1 4.07Å; L677-H709 HydrophobicContact CD1-CB 4.04Å; L677-H709 WeakPolarHBondContact CD1-O 3.34Å; L677-V710 HydrophobicContact CD2-CG2 4.27Å |
| 678 | T | 98.2 | Very high | 97.6 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 53% | 0.534 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.7 | -35.6 | 175 | -54.2 | 0 | 0 | 0 | 0 | 112 | N675 I676 Q682 | N675-T678 WeakPolarHBondContact O-CB 3.41Å; N675-T678 PolarHBondContact O-N 3.35Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.06Å; T678-Q682 PolarHBondContact O-NE2 3.44Å |
| 679 | L | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.3 | -45 | 175 | -60.8 | 176.8 | 0 | 0 | 0 | 110.4 | V621 V624 Q625 L628 N675 I676 Y681 Q682 C683 | V621-L679 HydrophobicContact CG1-CD1 3.96Å; V624-L679 HydrophobicContact CG1-CB 3.99Å; V624-L679 HydrophobicContact CG1-CD1 4.29Å; Q625-L679 HydrophobicContact CB-CD1 3.9Å; Q625-L679 HydrophobicContact CB-CD2 4.22Å; Q625-L679 HydrophobicContact CG-CD2 4.16Å; L628-L679 HydrophobicContact CD1-CB 4.05Å; L628-L679 HydrophobicContact CD1-CD2 3.97Å; N675-L679 PolarHBondContact O-N 3.01Å; N675-L679 VanDerWaalsContact O-N 3.11Å; I676-L679 HydrophobicContact CD1-CB 4.45Å; I676-L679 PolarHBondContact O-N 2.98Å; I676-L679 VanDerWaalsContact O-N 3.13Å; L679-Y681 VanDerWaalsContact C-N 3.3Å; L679-Y681 PolarHBondContact O-N 3.27Å; L679-Q682 WeakPolarHBondContact O-CA 3.49Å; L679-Q682 WeakPolarHBondContact O-CB 3.45Å; L679-Q682 PolarHBondContact O-N 2.86Å; L679-C683 PolarHBondContact O-N 3.09Å; L679-C683 PolarHBondContact O-SG 3.11Å; L679-C683 VanDerWaalsContact O-SG 3.41Å |
| 680 | M | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 176.1 | -171.6 | 176 | 71.6 | 0 | 0 | 111.1 | I676 L677 Q682 C683 M684 L698 L699 L702 F717 | I676-M680 VanDerWaalsContact O-CB 3.25Å; I676-M680 WeakPolarHBondContact O-CB 3.34Å; I676-M680 PolarHBondContact O-N 3.39Å; L677-M680 HydrophobicContact CD2-CE 3.64Å; M680-Q682 PolarHBondContact O-N 2.93Å; M680-C683 PolarHBondContact O-N 2.97Å; M680-C683 VanDerWaalsContact O-N 3.11Å; M680-M684 HydrophobicContact CG-CG 4.33Å; M680-M684 HydrophobicContact CG-SD 4.27Å; M680-M684 WeakPolarHBondContact O-CB 3.44Å; M680-M684 WeakPolarHBondContact O-CG 3.39Å; M680-M684 PolarHBondContact O-N 2.63Å; M680-L698 HydrophobicContact SD-CB 4.35Å; M680-L698 HydrophobicContact SD-CD2 4.15Å; M680-L698 HydrophobicContact SD-CG 4.02Å; M680-L699 HydrophobicContact CE-CB 4.04Å; M680-L699 HydrophobicContact CE-CD1 3.64Å; M680-L699 HydrophobicContact CE-CG 4.35Å; M680-L699 HydrophobicContact SD-CB 3.88Å; M680-L702 HydrophobicContact SD-CD1 4.39Å; M680-F717 HydrophobicContact CE-CD2 4.25Å; M680-F717 HydrophobicContact CE-CE2 3.32Å; M680-F717 HydrophobicContact CE-CZ 3.61Å |
| 681 | Y | 98.5 | Very high | 97.4 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.7 | -37.3 | 172.6 | -176.4 | -120.1 | 0 | 0 | 0 | 113.4 | L677 L679 Q685 D716 F717 I720 | L677-Y681 PolarHBondContact O-N 2.82Å; L679-Y681 VanDerWaalsContact C-N 3.3Å; L679-Y681 PolarHBondContact O-N 3.27Å; Y681-Q685 PolarHBondContact O-NE2 3.15Å; Y681-D716 HydrophobicContact CD2-CB 4.27Å; Y681-D716 HydrophobicContact CE2-CB 3.75Å; Y681-F717 AromaticContact CD2-CD1 3.81Å; Y681-F717 HydrophobicContact CD2-CD1 3.81Å; Y681-F717 AromaticContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CG-CE1 4.13Å; Y681-I720 HydrophobicContact CD2-CD1 3.84Å; Y681-I720 HydrophobicContact CE2-CD1 3.5Å |
| 682 | Q | 98.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 52 Ų | 52 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.5 | -43 | 177.8 | -62.7 | 167.2 | 50.6 | 0 | 0 | 111 | L628 T678 L679 M680 M684 Q685 D686 | L628-Q682 HydrophobicContact CD1-CB 4.05Å; L628-Q682 HydrophobicContact CD2-CB 4.12Å; T678-Q682 PolarHBondContact O-NE2 3.44Å; L679-Q682 WeakPolarHBondContact O-CA 3.49Å; L679-Q682 WeakPolarHBondContact O-CB 3.45Å; L679-Q682 PolarHBondContact O-N 2.86Å; M680-Q682 PolarHBondContact O-N 2.93Å; Q682-M684 VanDerWaalsContact C-N 3.32Å; Q682-M684 PolarHBondContact O-N 3.22Å; Q682-Q685 PolarHBondContact O-N 2.98Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; Q682-D686 PolarHBondContact O-N 3.22Å |
| 683 | C | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -41.6 | 175.3 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | L653 L679 M680 Q685 D686 V691 | L653-C683 HydrophobicContact CD1-CB 4.16Å; L679-C683 PolarHBondContact O-N 3.09Å; L679-C683 PolarHBondContact O-SG 3.11Å; L679-C683 VanDerWaalsContact O-SG 3.41Å; M680-C683 PolarHBondContact O-N 2.97Å; M680-C683 VanDerWaalsContact O-N 3.11Å; C683-Q685 PolarHBondContact O-N 3.24Å; C683-Q685 VanDerWaalsContact O-N 3.11Å; C683-D686 VanDerWaalsContact O-CB 3.24Å; C683-D686 WeakPolarHBondContact O-CB 3.44Å; C683-D686 PolarHBondContact O-N 3.38Å; C683-V691 HydrophobicContact CB-CG1 3.8Å |
| 684 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.2 | 176.9 | -69.9 | 174.4 | 72.7 | 0 | 0 | 113.4 | M680 Q682 R692 S695 F696 L699 F717 I720 L721 | M680-M684 HydrophobicContact CG-CG 4.33Å; M680-M684 HydrophobicContact CG-SD 4.27Å; M680-M684 WeakPolarHBondContact O-CB 3.44Å; M680-M684 WeakPolarHBondContact O-CG 3.39Å; M680-M684 PolarHBondContact O-N 2.63Å; Q682-M684 VanDerWaalsContact C-N 3.32Å; Q682-M684 PolarHBondContact O-N 3.22Å; M684-R692 WeakPolarHBondContact O-CD 3.5Å; M684-R692 WeakPolarHBondContact O-CG 3.5Å; M684-S695 WeakPolarHBondContact CA-OG 3.45Å; M684-S695 VanDerWaalsContact CG-OG 3.31Å; M684-S695 WeakPolarHBondContact CG-OG 3.25Å; M684-F696 HydrophobicContact CB-CE1 3.84Å; M684-F696 HydrophobicContact CE-CD1 3.94Å; M684-F696 HydrophobicContact CE-CE1 3.62Å; M684-F696 HydrophobicContact CG-CD1 3.93Å; M684-F696 HydrophobicContact CG-CE1 3.63Å; M684-F696 HydrophobicContact SD-CE1 4.46Å; M684-L699 HydrophobicContact CE-CD2 3.73Å; M684-L699 HydrophobicContact SD-CD2 4.16Å; M684-F717 HydrophobicContact CE-CB 3.9Å; M684-F717 HydrophobicContact CE-CD1 4.17Å; M684-F717 HydrophobicContact CE-CG 4Å; M684-F717 HydrophobicContact SD-CD1 3.81Å; M684-F717 HydrophobicContact SD-CD2 4.4Å; M684-F717 HydrophobicContact SD-CE1 4.05Å; M684-F717 HydrophobicContact SD-CG 4Å; M684-F717 HydrophobicContact SD-CZ 4.42Å; M684-I720 HydrophobicContact CB-CD1 4.3Å; M684-I720 HydrophobicContact CB-CG2 4.02Å; M684-I720 HydrophobicContact CE-CB 4.21Å; M684-I720 HydrophobicContact CE-CG2 4.28Å; M684-I720 VanDerWaalsContact O-CG2 3.27Å; M684-I720 WeakPolarHBondContact O-CG2 3.47Å; M684-L721 HydrophobicContact CE-CD2 4.32Å; M684-L721 HydrophobicContact CE-CG 4.16Å |
| 685 | Q | 97.5 | Very high | 97.4 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 49% | 0.486 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 5.2 | 177.9 | -67.1 | 172.8 | 91 | 0 | 0 | 112.8 | Y681 Q682 C683 I720 | Y681-Q685 PolarHBondContact O-NE2 3.15Å; Q682-Q685 PolarHBondContact O-N 2.98Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; C683-Q685 PolarHBondContact O-N 3.24Å; C683-Q685 VanDerWaalsContact O-N 3.11Å; Q685-I720 HydrophobicContact CG-CD1 3.67Å; Q685-I720 HydrophobicContact CG-CG1 4.28Å |
| 686 | D | 97.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | trans | -65.8 | 150.7 | -180 | -160.4 | -71.9 | 0 | 0 | 0 | 111.1 | K646 Q682 C683 M688 V691 R692 | K646-D686 IonicContact NZ-OD1 2.78Å; K646-D686 PolarHBondContact NZ-OD1 3.45Å; K646-D686 IonicContact NZ-OD2 3.64Å; K646-D686 PolarHBondContact NZ-OD2 3.1Å; Q682-D686 PolarHBondContact O-N 3.22Å; C683-D686 VanDerWaalsContact O-CB 3.24Å; C683-D686 WeakPolarHBondContact O-CB 3.44Å; C683-D686 PolarHBondContact O-N 3.38Å; D686-M688 VanDerWaalsContact C-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.46Å; D686-M688 PolarHBondContact OD1-N 2.97Å; D686-V691 HydrophobicContact CB-CB 3.96Å; D686-V691 HydrophobicContact CB-CG1 3.62Å; D686-R692 VanDerWaalsContact O-CD 3.26Å; D686-R692 WeakPolarHBondContact O-CD 3.24Å; D686-R692 PolarHBondContact O-NE 3.38Å | ||
| 687 | K | 94.6 | Very high | 97.5 | Very high | 183 Ų | 183 | 37 Ų | 37 | 80% | 0.796 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -70.2 | -29.8 | 178.1 | -63.7 | -179.8 | -178.3 | 174.3 | 0 | 111.9 | P689 | K687-P689 WeakPolarHBondContact O-CD 3.47Š|
| 688 | M | 95 | Very high | 97.5 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 28% | 0.281 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -76 | 118.4 | -178.6 | -170.7 | 165.3 | -177 | 0 | 0 | 109.7 | K646 I650 D686 E690 V691 R692 | K646-M688 HydrophobicContact CB-SD 3.84Å; K646-M688 HydrophobicContact CD-CB 4.34Å; K646-M688 HydrophobicContact CD-SD 3.94Å; K646-M688 HydrophobicContact CG-SD 4.41Å; I650-M688 HydrophobicContact CD1-CE 3.96Å; I650-M688 HydrophobicContact CD1-SD 4.23Å; D686-M688 VanDerWaalsContact C-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.46Å; D686-M688 PolarHBondContact OD1-N 2.97Å; M688-E690 VanDerWaalsContact C-N 3.28Å; M688-E690 HydrophobicContact CE-CB 4.11Å; M688-E690 HydrophobicContact CE-CG 4.17Å; M688-E690 WeakPolarHBondContact CE-OE2 3.35Å; M688-E690 HydrophobicContact CG-CB 4.27Å; M688-E690 WeakPolarHBondContact CG-OE2 3.32Å; M688-E690 PolarHBondContact O-N 3.48Å; M688-V691 HydrophobicContact CB-CB 4.33Å; M688-V691 HydrophobicContact CB-CG2 3.91Å; M688-V691 HydrophobicContact CG-CG2 4.14Å; M688-V691 PolarHBondContact O-N 3.4Å; M688-V691 HydrophobicContact SD-CG2 4.16Å; M688-R692 PolarHBondContact O-N 2.74Å |
| 689 | P | 95.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50.5 | -43.7 | 176.7 | -28.6 | 36.6 | 0 | 0 | 0 | 113.8 | K687 V691 R692 Q693 F729 V732 | K687-P689 WeakPolarHBondContact O-CD 3.47Å; P689-V691 PolarHBondContact O-N 3.43Å; P689-R692 CarbonylContact O-C 3.54Å; P689-R692 WeakPolarHBondContact O-CA 3.39Å; P689-R692 WeakPolarHBondContact O-CB 3.29Å; P689-R692 PolarHBondContact O-N 2.94Å; P689-Q693 PolarHBondContact O-N 3.05Å; P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.4Å; P689-F729 HydrophobicContact CG-CD1 3.74Å; P689-F729 HydrophobicContact CG-CE1 3.65Å; P689-V732 HydrophobicContact CB-CG2 3.69Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.44Å |
| 690 | E | 95.2 | Very high | 97.5 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | -175.5 | -60.4 | 76.3 | -168.6 | 0 | 0 | 111.5 | S350 I650 M688 R692 Q693 S694 | S350-E690 WeakPolarHBondContact OG-CB 3.28Å; I650-E690 HydrophobicContact CD1-CB 3.71Å; M688-E690 VanDerWaalsContact C-N 3.28Å; M688-E690 HydrophobicContact CE-CB 4.11Å; M688-E690 HydrophobicContact CE-CG 4.17Å; M688-E690 WeakPolarHBondContact CE-OE2 3.35Å; M688-E690 HydrophobicContact CG-CB 4.27Å; M688-E690 WeakPolarHBondContact CG-OE2 3.32Å; M688-E690 PolarHBondContact O-N 3.48Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.5Å; E690-Q693 WeakPolarHBondContact O-CB 3.29Å; E690-Q693 PolarHBondContact O-N 3.37Å; E690-S694 PolarHBondContact O-N 3.3Å; E690-S694 VanDerWaalsContact O-N 3.13Å |
| 691 | V | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 173.3 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | K646 M649 I650 C683 D686 M688 P689 S695 | K646-V691 HydrophobicContact CB-CG2 4.22Å; K646-V691 HydrophobicContact CD-CG2 4.06Å; M649-V691 HydrophobicContact CE-CG2 4.25Å; M649-V691 HydrophobicContact CG-CG1 4.26Å; M649-V691 HydrophobicContact CG-CG2 4.13Å; M649-V691 HydrophobicContact SD-CB 4.36Å; M649-V691 HydrophobicContact SD-CG1 3.46Å; M649-V691 WeakPolarHBondContact SD-CG1 3.41Å; M649-V691 HydrophobicContact SD-CG2 3.9Å; I650-V691 HydrophobicContact CD1-CG2 3.99Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; C683-V691 HydrophobicContact CB-CG1 3.8Å; D686-V691 HydrophobicContact CB-CB 3.96Å; D686-V691 HydrophobicContact CB-CG1 3.62Å; M688-V691 HydrophobicContact CB-CB 4.33Å; M688-V691 HydrophobicContact CB-CG2 3.91Å; M688-V691 HydrophobicContact CG-CG2 4.14Å; M688-V691 PolarHBondContact O-N 3.4Å; M688-V691 HydrophobicContact SD-CG2 4.16Å; P689-V691 PolarHBondContact O-N 3.43Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.26Å; V691-S695 VanDerWaalsContact O-N 3.12Å; V691-S695 PolarHBondContact O-OG 3.37Å |
| 692 | R | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 28 Ų | 28 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 177.6 | -69.3 | -177.4 | -76 | 164.8 | -6.4 | 110.5 | M684 D686 M688 P689 E690 S694 S695 F696 N724 V732 | M684-R692 WeakPolarHBondContact O-CD 3.5Å; M684-R692 WeakPolarHBondContact O-CG 3.5Å; D686-R692 VanDerWaalsContact O-CD 3.26Å; D686-R692 WeakPolarHBondContact O-CD 3.24Å; D686-R692 PolarHBondContact O-NE 3.38Å; M688-R692 PolarHBondContact O-N 2.74Å; P689-R692 CarbonylContact O-C 3.54Å; P689-R692 WeakPolarHBondContact O-CA 3.39Å; P689-R692 WeakPolarHBondContact O-CB 3.29Å; P689-R692 PolarHBondContact O-N 2.94Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.5Å; R692-S694 PolarHBondContact O-N 3.09Å; R692-S695 WeakPolarHBondContact CA-OG 3.31Å; R692-S695 PolarHBondContact O-N 3.13Å; R692-S695 PolarHBondContact O-OG 3.37Å; R692-F696 HydrophobicContact CB-CD2 4.49Å; R692-F696 HydrophobicContact CB-CE2 3.83Å; R692-F696 HydrophobicContact CB-CZ 3.96Å; R692-F696 HydrophobicContact CG-CZ 4.48Å; R692-F696 VanDerWaalsContact O-CD2 3.23Å; R692-F696 WeakPolarHBondContact O-CD2 3.31Å; R692-F696 WeakPolarHBondContact O-CG 3.45Å; R692-F696 PolarHBondContact O-N 3.31Å; R692-N724 PolarHBondContact NH1-OD1 3.18Å; R692-V732 HydrophobicContact CB-CG1 4.09Å |
| 693 | Q | 96.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -51.2 | -56.4 | 176.4 | 174.8 | 179 | -20.9 | 0 | 0 | 112.2 | R351 P689 E690 S695 F696 A697 S731 V732 N735 | R351-Q693 PolarHBondContact O-NE2 2.9Å; P689-Q693 PolarHBondContact O-N 3.05Å; E690-Q693 WeakPolarHBondContact O-CB 3.29Å; E690-Q693 PolarHBondContact O-N 3.37Å; Q693-S695 VanDerWaalsContact C-N 3.33Å; Q693-S695 PolarHBondContact O-N 2.89Å; Q693-F696 PolarHBondContact O-N 2.84Å; Q693-A697 PolarHBondContact O-N 2.76Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; Q693-S731 VanDerWaalsContact OE1-CB 3.29Å; Q693-V732 HydrophobicContact CB-CG2 4.11Å; Q693-N735 VanDerWaalsContact CG-ND2 3.28Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.41Å; Q693-N735 PolarHBondContact O-ND2 3.33Å |
| 694 | S | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | I650 D654 E690 R692 F696 A697 L698 | I650-S694 WeakPolarHBondContact CG2-OG 3.26Å; D654-S694 WeakPolarHBondContact OD1-CB 3.5Å; D654-S694 PolarHBondContact OD1-OG 3.48Å; E690-S694 PolarHBondContact O-N 3.3Å; E690-S694 VanDerWaalsContact O-N 3.13Å; R692-S694 PolarHBondContact O-N 3.09Å; S694-F696 VanDerWaalsContact C-N 3.31Å; S694-F696 PolarHBondContact O-N 2.92Å; S694-A697 PolarHBondContact O-N 2.62Å; S694-L698 PolarHBondContact O-N 3.02Å |
| 695 | S | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -32.4 | 175.6 | 77 | 0 | 0 | 0 | 0 | 113.1 | M684 V691 R692 Q693 L699 | M684-S695 WeakPolarHBondContact CA-OG 3.45Å; M684-S695 VanDerWaalsContact CG-OG 3.31Å; M684-S695 WeakPolarHBondContact CG-OG 3.25Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.26Å; V691-S695 VanDerWaalsContact O-N 3.12Å; V691-S695 PolarHBondContact O-OG 3.37Å; R692-S695 WeakPolarHBondContact CA-OG 3.31Å; R692-S695 PolarHBondContact O-N 3.13Å; R692-S695 PolarHBondContact O-OG 3.37Å; Q693-S695 VanDerWaalsContact C-N 3.33Å; Q693-S695 PolarHBondContact O-N 2.89Å; S695-L699 WeakPolarHBondContact O-CB 3.48Å; S695-L699 PolarHBondContact O-N 3.34Å |
| 696 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76.5 | -36.2 | 176.7 | -59.8 | -28.3 | 0 | 0 | 0 | 112.1 | M684 R692 Q693 S694 L699 G700 I720 L721 N724 V732 N735 A736 | M684-F696 HydrophobicContact CB-CE1 3.84Å; M684-F696 HydrophobicContact CE-CD1 3.94Å; M684-F696 HydrophobicContact CE-CE1 3.62Å; M684-F696 HydrophobicContact CG-CD1 3.93Å; M684-F696 HydrophobicContact CG-CE1 3.63Å; M684-F696 HydrophobicContact SD-CE1 4.46Å; R692-F696 HydrophobicContact CB-CD2 4.49Å; R692-F696 HydrophobicContact CB-CE2 3.83Å; R692-F696 HydrophobicContact CB-CZ 3.96Å; R692-F696 HydrophobicContact CG-CZ 4.48Å; R692-F696 VanDerWaalsContact O-CD2 3.23Å; R692-F696 WeakPolarHBondContact O-CD2 3.31Å; R692-F696 WeakPolarHBondContact O-CG 3.45Å; R692-F696 PolarHBondContact O-N 3.31Å; Q693-F696 PolarHBondContact O-N 2.84Å; S694-F696 VanDerWaalsContact C-N 3.31Å; S694-F696 PolarHBondContact O-N 2.92Å; F696-L699 PolarHBondContact O-N 2.84Å; F696-G700 PolarHBondContact O-N 3.43Å; F696-G700 VanDerWaalsContact O-N 3.09Å; F696-I720 HydrophobicContact CE1-CG2 4.24Å; F696-I720 HydrophobicContact CZ-CG2 4.22Å; F696-L721 HydrophobicContact CB-CD2 4.49Å; F696-L721 HydrophobicContact CD1-CD2 3.59Å; F696-L721 HydrophobicContact CE1-CD2 3.9Å; F696-L721 HydrophobicContact CG-CD2 3.97Å; F696-N724 HydrophobicContact CE2-CB 3.58Å; F696-N724 HydrophobicContact CZ-CB 3.87Å; F696-V732 HydrophobicContact CD2-CG1 3.97Å; F696-V732 HydrophobicContact CE2-CG1 3.55Å; F696-N735 HydrophobicContact CB-CB 3.84Å; F696-A736 HydrophobicContact CD2-CB 3.77Å; F696-A736 HydrophobicContact CE2-CB 4.06Å; F696-A736 HydrophobicContact CG-CB 4.37Å |
| 697 | A | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -51.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V353 S657 Q693 S694 L699 G700 D701 W738 | V353-A697 HydrophobicContact CG2-CB 3.73Å; S657-A697 PolarHBondContact OG-O 2.92Å; Q693-A697 PolarHBondContact O-N 2.76Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; S694-A697 PolarHBondContact O-N 2.62Å; A697-L699 VanDerWaalsContact C-N 3.27Å; A697-L699 PolarHBondContact O-N 2.56Å; A697-G700 PolarHBondContact O-N 3.24Å; A697-D701 PolarHBondContact O-N 2.91Å; A697-D701 VanDerWaalsContact O-N 3.08Å; A697-W738 WeakPolarHBondContact O-CH2 3.26Å; A697-W738 WeakPolarHBondContact O-CZ3 3.07Å |
| 698 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 177.2 | 178.3 | 60.1 | 0 | 0 | 0 | 112.2 | L653 L656 S657 I676 M680 S694 D701 L702 | L653-L698 HydrophobicContact CD2-CD2 3.65Å; L656-L698 VanDerWaalsContact C-CD1 3.49Å; L656-L698 HydrophobicContact CB-CD1 3.7Å; L656-L698 HydrophobicContact CB-CD2 3.95Å; L656-L698 HydrophobicContact CB-CG 4.47Å; L656-L698 HydrophobicContact CD1-CD2 4.24Å; S657-L698 WeakPolarHBondContact OG-CA 2.93Å; S657-L698 PolarHBondContact OG-N 2.74Å; I676-L698 HydrophobicContact CD1-CD2 4.23Å; I676-L698 HydrophobicContact CG1-CD2 4.07Å; M680-L698 HydrophobicContact SD-CB 4.35Å; M680-L698 HydrophobicContact SD-CD2 4.15Å; M680-L698 HydrophobicContact SD-CG 4.02Å; S694-L698 PolarHBondContact O-N 3.02Å; L698-D701 PolarHBondContact O-N 2.97Å; L698-L702 HydrophobicContact CD1-CD1 3.84Å; L698-L702 HydrophobicContact CD1-CD2 4.36Å; L698-L702 HydrophobicContact CD1-CG 3.75Å; L698-L702 HydrophobicContact CD2-CD1 4.43Å; L698-L702 HydrophobicContact CG-CD1 3.84Å; L698-L702 HydrophobicContact CG-CG 4.18Å; L698-L702 WeakPolarHBondContact O-CB 3.38Å; L698-L702 VanDerWaalsContact O-CG 3.27Å; L698-L702 WeakPolarHBondContact O-CG 3.33Å; L698-L702 PolarHBondContact O-N 3.33Å |
| 699 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 179.3 | 172.9 | 58.1 | 0 | 0 | 0 | 112.4 | M680 M684 S695 F696 A697 D701 T703 V710 F717 L721 A739 I743 | M680-L699 HydrophobicContact CE-CB 4.04Å; M680-L699 HydrophobicContact CE-CD1 3.64Å; M680-L699 HydrophobicContact CE-CG 4.35Å; M680-L699 HydrophobicContact SD-CB 3.88Å; M684-L699 HydrophobicContact CE-CD2 3.73Å; M684-L699 HydrophobicContact SD-CD2 4.16Å; S695-L699 WeakPolarHBondContact O-CB 3.48Å; S695-L699 PolarHBondContact O-N 3.34Å; F696-L699 PolarHBondContact O-N 2.84Å; A697-L699 VanDerWaalsContact C-N 3.27Å; A697-L699 PolarHBondContact O-N 2.56Å; L699-D701 VanDerWaalsContact C-N 3.35Å; L699-T703 VanDerWaalsContact O-CB 3.29Å; L699-T703 WeakPolarHBondContact O-CB 3.38Å; L699-T703 PolarHBondContact O-N 2.61Å; L699-T703 PolarHBondContact O-OG1 2.9Å; L699-V710 HydrophobicContact CD1-CG1 3.58Å; L699-F717 HydrophobicContact CD1-CD2 3.53Å; L699-F717 HydrophobicContact CD1-CE2 3.76Å; L699-F717 HydrophobicContact CD2-CB 4.28Å; L699-F717 HydrophobicContact CD2-CD2 3.93Å; L699-F717 HydrophobicContact CD2-CG 4.36Å; L699-F717 HydrophobicContact CG-CD2 4.42Å; L699-L721 HydrophobicContact CD2-CD1 3.85Å; L699-L721 HydrophobicContact CD2-CD2 4.23Å; L699-L721 HydrophobicContact CD2-CG 4.32Å; L699-A739 HydrophobicContact CD2-CB 4.45Å; L699-A739 HydrophobicContact CG-CB 4.42Å; L699-I743 HydrophobicContact CD2-CD1 4.24Å; L699-I743 HydrophobicContact CG-CD1 4.45Å |
| 700 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.7 | -35.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F696 A697 T703 K704 W738 | F696-G700 PolarHBondContact O-N 3.43Å; F696-G700 VanDerWaalsContact O-N 3.09Å; A697-G700 PolarHBondContact O-N 3.24Å; G700-T703 WeakPolarHBondContact O-CB 2.81Å; G700-T703 PolarHBondContact O-N 2.88Å; G700-K704 PolarHBondContact O-N 3.37Å; G700-W738 VanDerWaalsContact CA-CH2 3.49Å |
| 701 | D | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 178.2 | -77 | -36.4 | 0 | 0 | 0 | 111.2 | S657 A660 A697 L698 L699 T703 K704 A705 W738 | S657-D701 WeakPolarHBondContact CB-OD2 3.36Å; S657-D701 PolarHBondContact OG-OD2 2.72Å; A660-D701 HydrophobicContact CB-CB 3.7Å; A697-D701 PolarHBondContact O-N 2.91Å; A697-D701 VanDerWaalsContact O-N 3.08Å; L698-D701 PolarHBondContact O-N 2.97Å; L699-D701 VanDerWaalsContact C-N 3.35Å; D701-T703 VanDerWaalsContact C-N 3.27Å; D701-T703 PolarHBondContact O-N 2.95Å; D701-K704 PolarHBondContact O-N 3.47Å; D701-A705 VanDerWaalsContact O-CB 3.22Å; D701-A705 WeakPolarHBondContact O-CB 3.14Å; D701-A705 PolarHBondContact O-N 3.29Å; D701-W738 HydrophobicContact CB-CH2 4.21Å; D701-W738 VanDerWaalsContact OD1-CH2 3.25Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.28Å |
| 702 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -32.9 | 172.3 | -71.4 | -179.6 | 0 | 0 | 0 | 112.3 | A660 I667 V671 L677 M680 L698 K704 A705 C706 V710 | A660-L702 HydrophobicContact CB-CD2 3.87Å; A660-L702 HydrophobicContact CB-CG 4.36Å; I667-L702 HydrophobicContact CG2-CD2 4.44Å; V671-L702 HydrophobicContact CG2-CD2 3.69Å; L677-L702 HydrophobicContact CD2-CD1 4.07Å; M680-L702 HydrophobicContact SD-CD1 4.39Å; L698-L702 HydrophobicContact CD1-CD1 3.84Å; L698-L702 HydrophobicContact CD1-CD2 4.36Å; L698-L702 HydrophobicContact CD1-CG 3.75Å; L698-L702 HydrophobicContact CD2-CD1 4.43Å; L698-L702 HydrophobicContact CG-CD1 3.84Å; L698-L702 HydrophobicContact CG-CG 4.18Å; L698-L702 WeakPolarHBondContact O-CB 3.38Å; L698-L702 VanDerWaalsContact O-CG 3.27Å; L698-L702 WeakPolarHBondContact O-CG 3.33Å; L698-L702 PolarHBondContact O-N 3.33Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-A705 PolarHBondContact O-N 3.49Å; L702-C706 CarbonylContact O-C 3.4Å; L702-C706 PolarHBondContact O-N 3.18Å; L702-V710 HydrophobicContact CB-CG2 3.91Å |
| 703 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 110.7 | L699 G700 D701 F707 E742 I743 Q746 | L699-T703 VanDerWaalsContact O-CB 3.29Å; L699-T703 WeakPolarHBondContact O-CB 3.38Å; L699-T703 PolarHBondContact O-N 2.61Å; L699-T703 PolarHBondContact O-OG1 2.9Å; G700-T703 WeakPolarHBondContact O-CB 2.81Å; G700-T703 PolarHBondContact O-N 2.88Å; D701-T703 VanDerWaalsContact C-N 3.27Å; D701-T703 PolarHBondContact O-N 2.95Å; T703-F707 HydrophobicContact CG2-CD2 3.93Å; T703-F707 HydrophobicContact CG2-CE2 4.39Å; T703-F707 WeakPolarHBondContact O-CB 3.46Å; T703-E742 HydrophobicContact CG2-CB 3.96Å; T703-I743 HydrophobicContact CG2-CB 4.49Å; T703-I743 HydrophobicContact CG2-CG1 3.92Å; T703-Q746 HydrophobicContact CG2-CB 4.27Å; T703-Q746 HydrophobicContact CG2-CG 3.8Å |
| 704 | K | 96.5 | Very high | 98 | Very high | 109 Ų | 109 | 24.9 Ų | 24.9 | 47% | 0.474 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.6 | -40 | 175.6 | -169.4 | 171.9 | -178 | 173.5 | 0 | 112.2 | G700 D701 L702 E817 | G700-K704 PolarHBondContact O-N 3.37Å; D701-K704 PolarHBondContact O-N 3.47Å; L702-K704 VanDerWaalsContact C-N 3.34Å; K704-E817 IonicContact NZ-OE1 2.74Å |
| 705 | A | 97.3 | Very high | 98 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -82.9 | -43.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G665 I667 D701 L702 | G665-A705 WeakPolarHBondContact CA-O 3.06Å; I667-A705 HydrophobicContact CG2-CB 4Å; D701-A705 VanDerWaalsContact O-CB 3.22Å; D701-A705 WeakPolarHBondContact O-CB 3.14Å; D701-A705 PolarHBondContact O-N 3.29Å; L702-A705 PolarHBondContact O-N 3.49Å |
| 706 | C | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -151.1 | 53.3 | -171.8 | 63.8 | 0 | 0 | 0 | 0 | 113.7 | E668 L702 Q708 H709 | E668-C706 HydrophobicContact CB-CB 4.23Å; E668-C706 HydrophobicContact CG-CB 4.45Å; L702-C706 CarbonylContact O-C 3.4Å; L702-C706 PolarHBondContact O-N 3.18Å; C706-Q708 PolarHBondContact O-N 3.34Å; C706-Q708 PolarHBondContact O-OE1 2.91Å; C706-H709 PolarHBondContact O-N 3.36Å |
| 707 | F | 98 | Very high | 97.9 | Very high | 23 Ų | 23 | 32 Ų | 32 | 10% | 0.101 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -47.8 | -31.3 | -176.2 | -176.1 | -123.2 | 0 | 0 | 0 | 115.8 | T703 H709 V710 K711 I714 Q746 M747 | T703-F707 HydrophobicContact CG2-CD2 3.93Å; T703-F707 HydrophobicContact CG2-CE2 4.39Å; T703-F707 WeakPolarHBondContact O-CB 3.46Å; F707-H709 PolarHBondContact O-N 2.97Å; F707-H709 VanDerWaalsContact O-N 3.11Å; F707-V710 HydrophobicContact CD2-CB 4.3Å; F707-V710 PolarHBondContact O-N 2.86Å; F707-K711 HydrophobicContact CD1-CB 4.31Å; F707-K711 HydrophobicContact CD2-CB 4.48Å; F707-K711 HydrophobicContact CE1-CB 3.92Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.08Å; F707-K711 HydrophobicContact CE2-CB 4.1Å; F707-K711 HydrophobicContact CZ-CB 3.8Å; F707-K711 HydrophobicContact CZ-CD 4.21Å; F707-K711 HydrophobicContact CZ-CG 3.96Å; F707-K711 WeakPolarHBondContact O-CB 3.44Å; F707-K711 PolarHBondContact O-N 2.89Å; F707-I714 HydrophobicContact CE2-CD1 4.34Å; F707-I714 HydrophobicContact CE2-CG1 4.29Å; F707-Q746 HydrophobicContact CB-CB 4.35Å; F707-Q746 HydrophobicContact CB-CG 4.19Å; F707-Q746 HydrophobicContact CD1-CB 3.63Å; F707-Q746 HydrophobicContact CD1-CG 4.36Å; F707-Q746 HydrophobicContact CD2-CB 3.63Å; F707-Q746 HydrophobicContact CD2-CG 4.09Å; F707-Q746 HydrophobicContact CE1-CB 3.67Å; F707-Q746 WeakPolarHBondContact CE1-O 3.49Å; F707-Q746 HydrophobicContact CE2-CB 3.69Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.96Å; F707-Q746 HydrophobicContact CZ-CB 3.7Å; F707-M747 HydrophobicContact CE2-CG 4.46Å; F707-M747 HydrophobicContact CZ-CG 3.85Å; F707-M747 HydrophobicContact CZ-SD 3.8Å |
| 708 | Q | 97.4 | Very high | 98 | Very high | 95 Ų | 95 | 31.8 Ų | 31.8 | 44% | 0.444 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.1 | -28.9 | 178.2 | 67.2 | -82.7 | 18.4 | 0 | 0 | 113.5 | E668 C706 P712 | E668-Q708 PolarHBondContact OE1-NE2 3.31Å; C706-Q708 PolarHBondContact O-N 3.34Å; C706-Q708 PolarHBondContact O-OE1 2.91Å; Q708-P712 WeakPolarHBondContact O-CD 3.33Å |
| 709 | H | 97.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -86.5 | -30.5 | 175.8 | -65.2 | -58.2 | 0 | 0 | 0 | 112.5 | E668 V671 L677 C706 F707 P712 | E668-H709 VanDerWaalsContact CG-NE2 3.33Å; E668-H709 WeakPolarHBondContact CG-NE2 3.24Å; E668-H709 IonicContact OE1-NE2 2.79Å; V671-H709 HydrophobicContact CG1-CB 4Å; L677-H709 HydrophobicContact CD1-CB 4.04Å; L677-H709 WeakPolarHBondContact CD1-O 3.34Å; C706-H709 PolarHBondContact O-N 3.36Å; F707-H709 PolarHBondContact O-N 2.97Å; F707-H709 VanDerWaalsContact O-N 3.11Å; H709-P712 WeakPolarHBondContact O-CD 3.37Å |
| 710 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.4 | -37.7 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | L677 L699 L702 F707 P712 C713 I714 F717 | L677-V710 HydrophobicContact CD2-CG2 4.27Å; L699-V710 HydrophobicContact CD1-CG1 3.58Å; L702-V710 HydrophobicContact CB-CG2 3.91Å; F707-V710 HydrophobicContact CD2-CB 4.3Å; F707-V710 PolarHBondContact O-N 2.86Å; V710-P712 VanDerWaalsContact C-CD 3.41Å; V710-P712 VanDerWaalsContact C-N 3.33Å; V710-P712 VanDerWaalsContact O-N 3.15Å; V710-C713 WeakPolarHBondContact O-CA 3.36Å; V710-C713 WeakPolarHBondContact O-CB 3.49Å; V710-C713 PolarHBondContact O-N 3.33Å; V710-I714 HydrophobicContact CG1-CD1 3.82Å; V710-I714 PolarHBondContact O-N 3.1Å; V710-F717 HydrophobicContact CG1-CE2 4.49Å |
| 711 | K | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -47.4 | -45.1 | -175.7 | -177 | 172.4 | -175.2 | 165.9 | 0 | 113.8 | F707 C713 I714 E750 | F707-K711 HydrophobicContact CD1-CB 4.31Å; F707-K711 HydrophobicContact CD2-CB 4.48Å; F707-K711 HydrophobicContact CE1-CB 3.92Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.08Å; F707-K711 HydrophobicContact CE2-CB 4.1Å; F707-K711 HydrophobicContact CZ-CB 3.8Å; F707-K711 HydrophobicContact CZ-CD 4.21Å; F707-K711 HydrophobicContact CZ-CG 3.96Å; F707-K711 WeakPolarHBondContact O-CB 3.44Å; F707-K711 PolarHBondContact O-N 2.89Å; K711-C713 PolarHBondContact O-N 2.98Å; K711-I714 WeakPolarHBondContact O-CG1 3.42Å; K711-I714 PolarHBondContact O-N 2.65Å; K711-E750 WeakPolarHBondContact CE-OE2 3.42Å; K711-E750 VanDerWaalsContact NZ-CD 3.3Å; K711-E750 IonicContact NZ-OE1 3.64Å; K711-E750 PolarHBondContact NZ-OE1 3.28Å; K711-E750 IonicContact NZ-OE2 3.61Å; K711-E750 PolarHBondContact NZ-OE2 2.97Å; K711-E750 VanDerWaalsContact NZ-OE2 3.13Å |
| 712 | P | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 34.8 Ų | 34.8 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -61.2 | -22.8 | 177.4 | -23.8 | 35.7 | 0 | 0 | 0 | 115 | Q708 H709 V710 | Q708-P712 WeakPolarHBondContact O-CD 3.33Å; H709-P712 WeakPolarHBondContact O-CD 3.37Å; V710-P712 VanDerWaalsContact C-CD 3.41Å; V710-P712 VanDerWaalsContact C-N 3.33Å; V710-P712 VanDerWaalsContact O-N 3.15Å |
| 713 | C | 98.1 | Very high | 97.9 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -95.7 | -9.8 | -176.4 | -57.5 | 0 | 0 | 0 | 0 | 113.7 | V710 K711 A715 D716 F717 | V710-C713 WeakPolarHBondContact O-CA 3.36Å; V710-C713 WeakPolarHBondContact O-CB 3.49Å; V710-C713 PolarHBondContact O-N 3.33Å; K711-C713 PolarHBondContact O-N 2.98Å; C713-A715 PolarHBondContact O-N 3.09Å; C713-D716 PolarHBondContact O-N 2.91Å; C713-F717 HydrophobicContact CB-CD1 4.33Å; C713-F717 HydrophobicContact CB-CD2 3.87Å; C713-F717 HydrophobicContact CB-CE1 3.92Å; C713-F717 HydrophobicContact CB-CE2 3.42Å; C713-F717 VanDerWaalsContact CB-CE2 3.42Å; C713-F717 HydrophobicContact CB-CG 4.32Å; C713-F717 HydrophobicContact CB-CZ 3.47Å; C713-F717 VanDerWaalsContact CB-CZ 3.47Å; C713-F717 WeakPolarHBondContact O-CG 3.44Å; C713-F717 PolarHBondContact O-N 3.26Å |
| 714 | I | 97.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -36.5 | -173.4 | -66.9 | -61.4 | 0 | 0 | 0 | 113 | F707 V710 K711 D716 F717 M718 I743 M747 Y754 | F707-I714 HydrophobicContact CE2-CD1 4.34Å; F707-I714 HydrophobicContact CE2-CG1 4.29Å; V710-I714 HydrophobicContact CG1-CD1 3.82Å; V710-I714 PolarHBondContact O-N 3.1Å; K711-I714 WeakPolarHBondContact O-CG1 3.42Å; K711-I714 PolarHBondContact O-N 2.65Å; I714-D716 PolarHBondContact O-N 3.1Å; I714-F717 PolarHBondContact O-N 3.38Å; I714-M718 HydrophobicContact CG2-CG 3.73Å; I714-M718 WeakPolarHBondContact O-CB 3.02Å; I714-M718 WeakPolarHBondContact O-CG 3.29Å; I714-M718 PolarHBondContact O-N 3.06Å; I714-I743 HydrophobicContact CD1-CB 4.47Å; I714-I743 HydrophobicContact CD1-CD1 3.82Å; I714-I743 HydrophobicContact CD1-CG1 3.81Å; I714-I743 HydrophobicContact CD1-CG2 3.81Å; I714-I743 HydrophobicContact CG2-CG2 4.27Å; I714-M747 HydrophobicContact CG1-SD 4.45Å; I714-M747 HydrophobicContact CG2-CE 4.11Å; I714-M747 HydrophobicContact CG2-SD 4.22Å; I714-Y754 HydrophobicContact CG2-CE2 4.16Å |
| 715 | A | 97.7 | Very high | 98 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -32 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C713 P719 Y754 | C713-A715 PolarHBondContact O-N 3.09Å; A715-P719 VanDerWaalsContact O-CD 3.28Å; A715-P719 WeakPolarHBondContact O-CD 3.28Å; A715-Y754 WeakPolarHBondContact CA-OH 3.47Å |
| 716 | D | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 48% | 0.481 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -86.2 | -32.7 | 177.5 | -61.3 | -38.9 | 0 | 0 | 0 | 111.5 | Y681 C713 I714 | Y681-D716 HydrophobicContact CD2-CB 4.27Å; Y681-D716 HydrophobicContact CE2-CB 3.75Å; C713-D716 PolarHBondContact O-N 2.91Å; I714-D716 PolarHBondContact O-N 3.1Å |
| 717 | F | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79.7 | -40.3 | -175.2 | -68.2 | -4.4 | 0 | 0 | 0 | 113.9 | M680 Y681 M684 L699 V710 C713 I714 I720 L721 | M680-F717 HydrophobicContact CE-CD2 4.25Å; M680-F717 HydrophobicContact CE-CE2 3.32Å; M680-F717 HydrophobicContact CE-CZ 3.61Å; Y681-F717 AromaticContact CD2-CD1 3.81Å; Y681-F717 HydrophobicContact CD2-CD1 3.81Å; Y681-F717 AromaticContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CG-CE1 4.13Å; M684-F717 HydrophobicContact CE-CB 3.9Å; M684-F717 HydrophobicContact CE-CD1 4.17Å; M684-F717 HydrophobicContact CE-CG 4Å; M684-F717 HydrophobicContact SD-CD1 3.81Å; M684-F717 HydrophobicContact SD-CD2 4.4Å; M684-F717 HydrophobicContact SD-CE1 4.05Å; M684-F717 HydrophobicContact SD-CG 4Å; M684-F717 HydrophobicContact SD-CZ 4.42Å; L699-F717 HydrophobicContact CD1-CD2 3.53Å; L699-F717 HydrophobicContact CD1-CE2 3.76Å; L699-F717 HydrophobicContact CD2-CB 4.28Å; L699-F717 HydrophobicContact CD2-CD2 3.93Å; L699-F717 HydrophobicContact CD2-CG 4.36Å; L699-F717 HydrophobicContact CG-CD2 4.42Å; V710-F717 HydrophobicContact CG1-CE2 4.49Å; C713-F717 HydrophobicContact CB-CD1 4.33Å; C713-F717 HydrophobicContact CB-CD2 3.87Å; C713-F717 HydrophobicContact CB-CE1 3.92Å; C713-F717 HydrophobicContact CB-CE2 3.42Å; C713-F717 VanDerWaalsContact CB-CE2 3.42Å; C713-F717 HydrophobicContact CB-CG 4.32Å; C713-F717 HydrophobicContact CB-CZ 3.47Å; C713-F717 VanDerWaalsContact CB-CZ 3.47Å; C713-F717 WeakPolarHBondContact O-CG 3.44Å; C713-F717 PolarHBondContact O-N 3.26Å; I714-F717 PolarHBondContact O-N 3.38Å; F717-I720 WeakPolarHBondContact O-CB 3.37Å; F717-I720 PolarHBondContact O-N 3.36Å; F717-I720 VanDerWaalsContact O-N 3.08Å; F717-L721 PolarHBondContact O-N 3.36Å |
| 718 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | -175.8 | -77.9 | -58.2 | -49.7 | 0 | 0 | 114.4 | I714 I720 L721 G722 I740 I743 M751 Y754 V758 | I714-M718 HydrophobicContact CG2-CG 3.73Å; I714-M718 WeakPolarHBondContact O-CB 3.02Å; I714-M718 WeakPolarHBondContact O-CG 3.29Å; I714-M718 PolarHBondContact O-N 3.06Å; M718-I720 VanDerWaalsContact C-N 3.27Å; M718-I720 PolarHBondContact O-N 3.21Å; M718-L721 PolarHBondContact O-N 3.35Å; M718-L721 HydrophobicContact SD-CD1 4Å; M718-G722 PolarHBondContact O-N 3.5Å; M718-I740 HydrophobicContact CE-CG1 4.12Å; M718-I740 HydrophobicContact CE-CG2 4.4Å; M718-I743 HydrophobicContact SD-CD1 4.07Å; M718-I743 HydrophobicContact SD-CG2 4.09Å; M718-M751 HydrophobicContact CE-CE 3.26Å; M718-M751 HydrophobicContact CG-CE 4.06Å; M718-M751 HydrophobicContact SD-CE 3.42Å; M718-M751 WeakPolarHBondContact SD-CE 3.35Å; M718-Y754 HydrophobicContact CB-CD1 3.45Å; M718-Y754 VanDerWaalsContact CB-CD1 3.45Å; M718-Y754 HydrophobicContact CB-CE1 3.73Å; M718-Y754 HydrophobicContact CB-CG 4.1Å; M718-Y754 HydrophobicContact CG-CD1 3.77Å; M718-Y754 HydrophobicContact CG-CD2 4.37Å; M718-Y754 HydrophobicContact CG-CE1 4.02Å; M718-Y754 HydrophobicContact CG-CG 3.96Å; M718-V758 HydrophobicContact CE-CG1 3.64Å |
| 719 | P | 98.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.5 | -41.5 | 172.6 | -26.4 | 35.5 | 0 | 0 | 0 | 113.3 | A715 T723 M757 | A715-P719 VanDerWaalsContact O-CD 3.28Å; A715-P719 WeakPolarHBondContact O-CD 3.28Å; P719-T723 WeakPolarHBondContact O-CG2 2.97Å; P719-T723 PolarHBondContact O-N 3.28Å; P719-T723 VanDerWaalsContact O-N 3.09Å; P719-T723 PolarHBondContact O-OG1 2.83Å; P719-M757 VanDerWaalsContact CA-SD 3.55Å; P719-M757 HydrophobicContact CB-CE 4.35Å; P719-M757 HydrophobicContact CB-SD 4.48Å; P719-M757 HydrophobicContact CG-CE 4.2Å |
| 720 | I | 98.5 | Very high | 97 | Very high | 18 Ų | 18 | 44 Ų | 44 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -47.2 | -179.5 | -58.8 | 165.4 | 0 | 0 | 0 | 110.1 | Y681 M684 Q685 F696 F717 M718 G722 T723 N724 | Y681-I720 HydrophobicContact CD2-CD1 3.84Å; Y681-I720 HydrophobicContact CE2-CD1 3.5Å; M684-I720 HydrophobicContact CB-CD1 4.3Å; M684-I720 HydrophobicContact CB-CG2 4.02Å; M684-I720 HydrophobicContact CE-CB 4.21Å; M684-I720 HydrophobicContact CE-CG2 4.28Å; M684-I720 VanDerWaalsContact O-CG2 3.27Å; M684-I720 WeakPolarHBondContact O-CG2 3.47Å; Q685-I720 HydrophobicContact CG-CD1 3.67Å; Q685-I720 HydrophobicContact CG-CG1 4.28Å; F696-I720 HydrophobicContact CE1-CG2 4.24Å; F696-I720 HydrophobicContact CZ-CG2 4.22Å; F717-I720 WeakPolarHBondContact O-CB 3.37Å; F717-I720 PolarHBondContact O-N 3.36Å; F717-I720 VanDerWaalsContact O-N 3.08Å; M718-I720 VanDerWaalsContact C-N 3.27Å; M718-I720 PolarHBondContact O-N 3.21Å; I720-G722 VanDerWaalsContact C-N 3.34Å; I720-G722 PolarHBondContact O-N 2.97Å; I720-T723 PolarHBondContact O-N 3.41Å; I720-T723 VanDerWaalsContact O-N 3.14Å; I720-T723 PolarHBondContact O-OG1 3.15Å; I720-N724 PolarHBondContact O-N 2.92Å; I720-N724 VanDerWaalsContact O-N 3.15Å; I720-N724 PolarHBondContact O-ND2 2.9Å |
| 721 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 176.7 | -70.3 | 170.2 | 0 | 0 | 0 | 111.7 | M684 F696 L699 F717 M718 T723 N724 L725 A736 A739 I740 I743 | M684-L721 HydrophobicContact CE-CD2 4.32Å; M684-L721 HydrophobicContact CE-CG 4.16Å; F696-L721 HydrophobicContact CB-CD2 4.49Å; F696-L721 HydrophobicContact CD1-CD2 3.59Å; F696-L721 HydrophobicContact CE1-CD2 3.9Å; F696-L721 HydrophobicContact CG-CD2 3.97Å; L699-L721 HydrophobicContact CD2-CD1 3.85Å; L699-L721 HydrophobicContact CD2-CD2 4.23Å; L699-L721 HydrophobicContact CD2-CG 4.32Å; F717-L721 PolarHBondContact O-N 3.36Å; M718-L721 PolarHBondContact O-N 3.35Å; M718-L721 HydrophobicContact SD-CD1 4Å; L721-T723 VanDerWaalsContact C-N 3.33Å; L721-T723 PolarHBondContact O-N 2.87Å; L721-N724 CarbonylContact O-C 3.41Å; L721-N724 WeakPolarHBondContact O-CA 3.22Å; L721-N724 PolarHBondContact O-N 3.11Å; L721-L725 PolarHBondContact O-N 3.36Å; L721-A736 HydrophobicContact CD2-CB 4.03Å; L721-A739 HydrophobicContact CD1-CB 4.42Å; L721-A739 HydrophobicContact CD2-CB 4.06Å; L721-I740 HydrophobicContact CB-CD1 3.96Å; L721-I740 HydrophobicContact CB-CG1 3.86Å; L721-I740 HydrophobicContact CD1-CG1 3.96Å; L721-I740 HydrophobicContact CG-CG1 4.42Å; L721-I743 HydrophobicContact CD1-CD1 3.61Å |
| 722 | G | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M718 I720 N724 L725 Q761 | M718-G722 PolarHBondContact O-N 3.5Å; I720-G722 VanDerWaalsContact C-N 3.34Å; I720-G722 PolarHBondContact O-N 2.97Å; G722-N724 PolarHBondContact O-N 3.47Å; G722-L725 PolarHBondContact O-N 2.93Å; G722-Q761 PolarHBondContact O-NE2 3.12Å; G722-Q761 PolarHBondContact O-OE1 2.91Å |
| 723 | T | 97.2 | Very high | 96.7 | Very high | 103 Ų | 103 | 36.4 Ų | 36.4 | 63% | 0.632 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -67.8 | -18.9 | 175.5 | 58 | 0 | 0 | 0 | 0 | 114.2 | P719 I720 L721 | P719-T723 WeakPolarHBondContact O-CG2 2.97Å; P719-T723 PolarHBondContact O-N 3.28Å; P719-T723 VanDerWaalsContact O-N 3.09Å; P719-T723 PolarHBondContact O-OG1 2.83Å; I720-T723 PolarHBondContact O-N 3.41Å; I720-T723 VanDerWaalsContact O-N 3.14Å; I720-T723 PolarHBondContact O-OG1 3.15Å; L721-T723 VanDerWaalsContact C-N 3.33Å; L721-T723 PolarHBondContact O-N 2.87Å |
| 724 | N | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.9 | 179.8 | -75.3 | -86.8 | 0 | 0 | 0 | 113.8 | R692 F696 I720 L721 G722 N726 V732 C733 A736 | R692-N724 PolarHBondContact NH1-OD1 3.18Å; F696-N724 HydrophobicContact CE2-CB 3.58Å; F696-N724 HydrophobicContact CZ-CB 3.87Å; I720-N724 PolarHBondContact O-N 2.92Å; I720-N724 VanDerWaalsContact O-N 3.15Å; I720-N724 PolarHBondContact O-ND2 2.9Å; L721-N724 CarbonylContact O-C 3.41Å; L721-N724 WeakPolarHBondContact O-CA 3.22Å; L721-N724 PolarHBondContact O-N 3.11Å; G722-N724 PolarHBondContact O-N 3.47Å; N724-N726 PolarHBondContact O-N 3.37Å; N724-V732 HydrophobicContact CB-CG1 4.25Å; N724-C733 WeakPolarHBondContact O-CA 3.5Å; N724-A736 HydrophobicContact CB-CB 4.12Å |
| 725 | L | 98.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | trans | -72.6 | 57.3 | 163.7 | -67.1 | -178.7 | 0 | 0 | 0 | 110.5 | L721 G722 A736 T737 I740 V758 Q761 L762 I765 | L721-L725 PolarHBondContact O-N 3.36Å; G722-L725 PolarHBondContact O-N 2.93Å; L725-A736 HydrophobicContact CD2-CB 4.46Å; L725-T737 WeakPolarHBondContact CD2-OG1 3.02Å; L725-I740 HydrophobicContact CD1-CD1 3.74Å; L725-I740 HydrophobicContact CD2-CD1 3.92Å; L725-I740 HydrophobicContact CG-CD1 3.94Å; L725-V758 HydrophobicContact CD1-CB 3.95Å; L725-V758 HydrophobicContact CD1-CG1 4.24Å; L725-Q761 HydrophobicContact CB-CB 3.85Å; L725-Q761 HydrophobicContact CB-CG 4.49Å; L725-Q761 HydrophobicContact CD1-CB 3.94Å; L725-L762 HydrophobicContact CD1-CD2 3.96Å; L725-L762 HydrophobicContact CD1-CG 3.89Å; L725-L762 HydrophobicContact CD2-CD2 3.96Å; L725-I765 HydrophobicContact CB-CD1 3.99Å; L725-I765 HydrophobicContact CD2-CD1 4.27Å | ||
| 726 | N | 95.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 32.3 Ų | 32.3 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | trans | -115.5 | 105 | 179.7 | -177.5 | 1.6 | 0 | 0 | 0 | 110 | N724 E728 F729 C733 | N724-N726 PolarHBondContact O-N 3.37Å; N726-E728 PolarHBondContact ND2-OE2 2.93Å; N726-E728 PolarHBondContact O-N 3Å; N726-E728 WeakPolarHBondContact OD1-CB 3.36Å; N726-E728 WeakPolarHBondContact OD1-CG 3.42Å; N726-E728 PolarHBondContact OD1-N 3.38Å; N726-F729 PolarHBondContact O-N 3.3Å; N726-C733 WeakPolarHBondContact O-CB 3.17Å | ||
| 727 | P | 91.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 28 Ų | 28 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 0.3 | 179.1 | 18.2 | -22.7 | 0 | 0 | 0 | 115.3 | F729 I765 R768 L775 | P727-F729 VanDerWaalsContact C-N 3.29Å; P727-I765 HydrophobicContact CB-CG1 4.43Å; P727-I765 HydrophobicContact CG-CG1 3.83Å; P727-R768 VanDerWaalsContact CB-NH1 3.34Å; P727-R768 VanDerWaalsContact CG-NH1 3.27Å; P727-L775 HydrophobicContact CB-CD2 4.49Å |
| 728 | E | 91.7 | Very high | 96.7 | Very high | 142 Ų | 142 | 29.2 Ų | 29.2 | 66% | 0.664 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.7 | 164.1 | -63.5 | 175.3 | 150 | 0 | 0 | 112.9 | N726 | N726-E728 PolarHBondContact ND2-OE2 2.93Å; N726-E728 PolarHBondContact O-N 3Å; N726-E728 WeakPolarHBondContact OD1-CB 3.36Å; N726-E728 WeakPolarHBondContact OD1-CG 3.42Å; N726-E728 PolarHBondContact OD1-N 3.38Å |
| 729 | F | 94.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 29.2 Ų | 29.2 | 39% | 0.39 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -115.7 | 78.1 | 174 | -60.9 | -82.6 | 0 | 0 | 0 | 108.4 | P689 N726 P727 S731 V732 C733 | P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.4Å; P689-F729 HydrophobicContact CG-CD1 3.74Å; P689-F729 HydrophobicContact CG-CE1 3.65Å; N726-F729 PolarHBondContact O-N 3.3Å; P727-F729 VanDerWaalsContact C-N 3.29Å; F729-S731 PolarHBondContact O-N 2.9Å; F729-V732 HydrophobicContact CB-CB 3.99Å; F729-V732 HydrophobicContact CB-CG2 4.02Å; F729-V732 PolarHBondContact O-N 3.45Å; F729-C733 WeakPolarHBondContact O-CB 3.32Å; F729-C733 PolarHBondContact O-N 2.98Å |
| 730 | I | 94 | Very high | 96.7 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 35% | 0.354 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -51.4 | -53.8 | -168 | -69.1 | 165.1 | 0 | 0 | 0 | 112 | V732 C733 N734 P772 | I730-V732 PolarHBondContact O-N 3.28Å; I730-C733 WeakPolarHBondContact O-CB 3.33Å; I730-C733 PolarHBondContact O-N 2.92Å; I730-N734 WeakPolarHBondContact O-CB 3.5Å; I730-N734 PolarHBondContact O-N 2.72Å; I730-P772 HydrophobicContact CD1-CG 3.9Å; I730-P772 HydrophobicContact CG1-CG 4.41Å; I730-P772 HydrophobicContact CG2-CG 3.84Å |
| 731 | S | 94.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | -174.2 | -43.6 | 0 | 0 | 0 | 0 | 112.4 | Q693 F729 N734 N735 | Q693-S731 VanDerWaalsContact OE1-CB 3.29Å; F729-S731 PolarHBondContact O-N 2.9Å; S731-N734 PolarHBondContact O-N 3.26Å; S731-N735 PolarHBondContact O-N 3.2Å; S731-N735 VanDerWaalsContact O-N 3.12Å |
| 732 | V | 96.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | P689 R692 Q693 F696 N724 F729 I730 N734 N735 A736 | P689-V732 HydrophobicContact CB-CG2 3.69Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.44Å; R692-V732 HydrophobicContact CB-CG1 4.09Å; Q693-V732 HydrophobicContact CB-CG2 4.11Å; F696-V732 HydrophobicContact CD2-CG1 3.97Å; F696-V732 HydrophobicContact CE2-CG1 3.55Å; N724-V732 HydrophobicContact CB-CG1 4.25Å; F729-V732 HydrophobicContact CB-CB 3.99Å; F729-V732 HydrophobicContact CB-CG2 4.02Å; F729-V732 PolarHBondContact O-N 3.45Å; I730-V732 PolarHBondContact O-N 3.28Å; V732-N734 VanDerWaalsContact C-N 3.29Å; V732-N734 PolarHBondContact O-N 3.49Å; V732-N735 PolarHBondContact O-N 2.69Å; V732-A736 WeakPolarHBondContact O-CB 3.42Å; V732-A736 PolarHBondContact O-N 2.99Å |
| 733 | C | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | N724 N726 F729 I730 T737 | N724-C733 WeakPolarHBondContact O-CA 3.5Å; N726-C733 WeakPolarHBondContact O-CB 3.17Å; F729-C733 WeakPolarHBondContact O-CB 3.32Å; F729-C733 PolarHBondContact O-N 2.98Å; I730-C733 WeakPolarHBondContact O-CB 3.33Å; I730-C733 PolarHBondContact O-N 2.92Å; C733-T737 VanDerWaalsContact O-CB 3.28Å; C733-T737 WeakPolarHBondContact O-CB 3.42Å; C733-T737 PolarHBondContact O-N 3.12Å; C733-T737 PolarHBondContact O-OG1 2.95Å |
| 734 | N | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.1 | -52 | 177.6 | -169.9 | 32.1 | 0 | 0 | 0 | 111.6 | T352 V353 I730 S731 V732 A736 T737 W738 L775 N778 | T352-N734 HydrophobicContact CG2-CB 4.38Å; T352-N734 WeakPolarHBondContact CG2-ND2 3.3Å; V353-N734 PolarHBondContact O-ND2 3.35Å; V353-N734 VanDerWaalsContact O-ND2 3.1Å; I730-N734 WeakPolarHBondContact O-CB 3.5Å; I730-N734 PolarHBondContact O-N 2.72Å; S731-N734 PolarHBondContact O-N 3.26Å; V732-N734 VanDerWaalsContact C-N 3.29Å; V732-N734 PolarHBondContact O-N 3.49Å; N734-A736 PolarHBondContact O-N 2.97Å; N734-T737 WeakPolarHBondContact O-CB 3.4Å; N734-T737 PolarHBondContact O-N 3.04Å; N734-W738 PolarHBondContact O-N 3.45Å; N734-L775 HydrophobicContact CB-CD1 4.08Å; N734-N778 WeakPolarHBondContact OD1-CB 3.31Å; N734-N778 PolarHBondContact OD1-ND2 3.02Å |
| 735 | N | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 178.8 | -70.8 | 4.7 | 0 | 0 | 0 | 112.2 | V353 Q693 F696 S731 V732 W738 A739 | V353-N735 WeakPolarHBondContact CB-OD1 3.19Å; V353-N735 PolarHBondContact N-OD1 2.8Å; Q693-N735 VanDerWaalsContact CG-ND2 3.28Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.41Å; Q693-N735 PolarHBondContact O-ND2 3.33Å; F696-N735 HydrophobicContact CB-CB 3.84Å; S731-N735 PolarHBondContact O-N 3.2Å; S731-N735 VanDerWaalsContact O-N 3.12Å; V732-N735 PolarHBondContact O-N 2.69Å; N735-W738 PolarHBondContact O-N 3.4Å; N735-A739 WeakPolarHBondContact O-CB 3.28Å; N735-A739 PolarHBondContact O-N 3.03Å |
| 736 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F696 L721 N724 L725 V732 N734 A739 I740 | F696-A736 HydrophobicContact CD2-CB 3.77Å; F696-A736 HydrophobicContact CE2-CB 4.06Å; F696-A736 HydrophobicContact CG-CB 4.37Å; L721-A736 HydrophobicContact CD2-CB 4.03Å; N724-A736 HydrophobicContact CB-CB 4.12Å; L725-A736 HydrophobicContact CD2-CB 4.46Å; V732-A736 WeakPolarHBondContact O-CB 3.42Å; V732-A736 PolarHBondContact O-N 2.99Å; N734-A736 PolarHBondContact O-N 2.97Å; A736-A739 PolarHBondContact O-N 3.47Å; A736-I740 WeakPolarHBondContact O-CD1 3.17Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.46Å; A736-I740 PolarHBondContact O-N 3.39Å |
| 737 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | L725 C733 N734 A739 I740 G741 L762 N778 T782 | L725-T737 WeakPolarHBondContact CD2-OG1 3.02Å; C733-T737 VanDerWaalsContact O-CB 3.28Å; C733-T737 WeakPolarHBondContact O-CB 3.42Å; C733-T737 PolarHBondContact O-N 3.12Å; C733-T737 PolarHBondContact O-OG1 2.95Å; N734-T737 WeakPolarHBondContact O-CB 3.4Å; N734-T737 PolarHBondContact O-N 3.04Å; T737-A739 PolarHBondContact O-N 3.07Å; T737-I740 PolarHBondContact O-N 3.41Å; T737-G741 PolarHBondContact O-N 3.07Å; T737-L762 HydrophobicContact CG2-CD2 3.84Å; T737-N778 HydrophobicContact CG2-CB 4.29Å; T737-N778 WeakPolarHBondContact CG2-O 3.27Å; T737-T782 HydrophobicContact CG2-CG2 4.34Å; T737-T782 WeakPolarHBondContact CG2-OG1 3.46Å; T737-T782 PolarHBondContact O-OG1 3.25Å; T737-T782 VanDerWaalsContact O-OG1 3.04Å |
| 738 | W | 97.3 | Very high | 97 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 10% | 0.102 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.7 | 172.9 | 88.9 | 0 | 0 | 0 | 112.3 | V353 A697 G700 D701 N734 N735 I740 G741 E742 | V353-W738 HydrophobicContact CG1-CD2 4.15Å; V353-W738 HydrophobicContact CG1-CG 4.3Å; V353-W738 HydrophobicContact CG1-CZ2 4.4Å; A697-W738 WeakPolarHBondContact O-CH2 3.26Å; A697-W738 WeakPolarHBondContact O-CZ3 3.07Å; G700-W738 VanDerWaalsContact CA-CH2 3.49Å; D701-W738 HydrophobicContact CB-CH2 4.21Å; D701-W738 VanDerWaalsContact OD1-CH2 3.25Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.28Å; N734-W738 PolarHBondContact O-N 3.45Å; N735-W738 PolarHBondContact O-N 3.4Å; W738-I740 PolarHBondContact O-N 2.82Å; W738-G741 WeakPolarHBondContact O-CA 3.34Å; W738-G741 PolarHBondContact O-N 3.27Å; W738-E742 HydrophobicContact CD2-CG 4.47Å; W738-E742 HydrophobicContact CZ2-CG 4.2Å; W738-E742 PolarHBondContact O-N 2.92Å |
| 739 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L699 L721 N735 A736 T737 G741 E742 I743 | L699-A739 HydrophobicContact CD2-CB 4.45Å; L699-A739 HydrophobicContact CG-CB 4.42Å; L721-A739 HydrophobicContact CD1-CB 4.42Å; L721-A739 HydrophobicContact CD2-CB 4.06Å; N735-A739 WeakPolarHBondContact O-CB 3.28Å; N735-A739 PolarHBondContact O-N 3.03Å; A736-A739 PolarHBondContact O-N 3.47Å; T737-A739 PolarHBondContact O-N 3.07Å; A739-G741 VanDerWaalsContact C-N 3.29Å; A739-G741 PolarHBondContact O-N 3.48Å; A739-E742 PolarHBondContact O-N 3.02Å; A739-I743 WeakPolarHBondContact O-CB 3.44Å; A739-I743 WeakPolarHBondContact O-CD1 3.48Å; A739-I743 WeakPolarHBondContact O-CG1 3.25Å; A739-I743 PolarHBondContact O-N 2.75Å |
| 740 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.5 | -67.9 | 162.9 | 0 | 0 | 0 | 110.6 | M718 L721 L725 A736 T737 W738 I743 S744 V758 T782 | M718-I740 HydrophobicContact CE-CG1 4.12Å; M718-I740 HydrophobicContact CE-CG2 4.4Å; L721-I740 HydrophobicContact CB-CD1 3.96Å; L721-I740 HydrophobicContact CB-CG1 3.86Å; L721-I740 HydrophobicContact CD1-CG1 3.96Å; L721-I740 HydrophobicContact CG-CG1 4.42Å; L725-I740 HydrophobicContact CD1-CD1 3.74Å; L725-I740 HydrophobicContact CD2-CD1 3.92Å; L725-I740 HydrophobicContact CG-CD1 3.94Å; A736-I740 WeakPolarHBondContact O-CD1 3.17Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.46Å; A736-I740 PolarHBondContact O-N 3.39Å; T737-I740 PolarHBondContact O-N 3.41Å; W738-I740 PolarHBondContact O-N 2.82Å; I740-I743 PolarHBondContact O-N 3.12Å; I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 2.92Å; I740-S744 PolarHBondContact O-OG 3.35Å; I740-V758 HydrophobicContact CD1-CB 4.31Å; I740-V758 HydrophobicContact CD1-CG1 3.81Å; I740-V758 HydrophobicContact CG1-CG1 4.47Å; I740-V758 HydrophobicContact CG2-CG2 4.29Å; I740-T782 HydrophobicContact CB-CG2 4.15Å; I740-T782 HydrophobicContact CG2-CG2 3.78Å |
| 741 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T737 W738 A739 S744 I745 R785 | T737-G741 PolarHBondContact O-N 3.07Å; W738-G741 WeakPolarHBondContact O-CA 3.34Å; W738-G741 PolarHBondContact O-N 3.27Å; A739-G741 VanDerWaalsContact C-N 3.29Å; A739-G741 PolarHBondContact O-N 3.48Å; G741-S744 WeakPolarHBondContact O-CB 3.35Å; G741-S744 PolarHBondContact O-N 3.35Å; G741-I745 PolarHBondContact O-N 3.24Å; G741-R785 WeakPolarHBondContact O-CD 3.04Å |
| 742 | E | 97.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 176.7 | -69.7 | -56.6 | 136.3 | 0 | 0 | 111.9 | T703 W738 A739 S744 I745 Q746 R785 | T703-E742 HydrophobicContact CG2-CB 3.96Å; W738-E742 HydrophobicContact CD2-CG 4.47Å; W738-E742 HydrophobicContact CZ2-CG 4.2Å; W738-E742 PolarHBondContact O-N 2.92Å; A739-E742 PolarHBondContact O-N 3.02Å; E742-S744 VanDerWaalsContact C-N 3.26Å; E742-S744 PolarHBondContact O-N 3.49Å; E742-I745 PolarHBondContact O-N 3.01Å; E742-Q746 PolarHBondContact O-N 2.8Å; E742-R785 IonicContact OE1-CZ 3.14Å; E742-R785 IonicContact OE1-NH1 2.7Å; E742-R785 PolarHBondContact OE1-NH1 3.08Å; E742-R785 IonicContact OE1-NH2 2.79Å; E742-R785 PolarHBondContact OE1-NH2 3.35Å |
| 743 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.6 | -69.6 | 165.5 | 0 | 0 | 0 | 110.7 | L699 T703 I714 M718 L721 A739 I740 I745 Q746 M747 M751 | L699-I743 HydrophobicContact CD2-CD1 4.24Å; L699-I743 HydrophobicContact CG-CD1 4.45Å; T703-I743 HydrophobicContact CG2-CB 4.49Å; T703-I743 HydrophobicContact CG2-CG1 3.92Å; I714-I743 HydrophobicContact CD1-CB 4.47Å; I714-I743 HydrophobicContact CD1-CD1 3.82Å; I714-I743 HydrophobicContact CD1-CG1 3.81Å; I714-I743 HydrophobicContact CD1-CG2 3.81Å; I714-I743 HydrophobicContact CG2-CG2 4.27Å; M718-I743 HydrophobicContact SD-CD1 4.07Å; M718-I743 HydrophobicContact SD-CG2 4.09Å; L721-I743 HydrophobicContact CD1-CD1 3.61Å; A739-I743 WeakPolarHBondContact O-CB 3.44Å; A739-I743 WeakPolarHBondContact O-CD1 3.48Å; A739-I743 WeakPolarHBondContact O-CG1 3.25Å; A739-I743 PolarHBondContact O-N 2.75Å; I740-I743 PolarHBondContact O-N 3.12Å; I743-I745 PolarHBondContact O-N 2.94Å; I743-Q746 PolarHBondContact O-N 2.86Å; I743-M747 HydrophobicContact CG2-CG 3.79Å; I743-M747 VanDerWaalsContact O-CB 3.29Å; I743-M747 WeakPolarHBondContact O-CB 3.43Å; I743-M747 VanDerWaalsContact O-CG 3.32Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 3.1Å; I743-M751 HydrophobicContact CG2-CE 4.12Å; I743-M751 HydrophobicContact CG2-SD 3.89Å |
| 744 | S | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | -178 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | I740 G741 E742 G748 L786 V789 | I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 2.92Å; I740-S744 PolarHBondContact O-OG 3.35Å; G741-S744 WeakPolarHBondContact O-CB 3.35Å; G741-S744 PolarHBondContact O-N 3.35Å; E742-S744 VanDerWaalsContact C-N 3.26Å; E742-S744 PolarHBondContact O-N 3.49Å; S744-G748 PolarHBondContact O-N 2.84Å; S744-G748 VanDerWaalsContact O-N 3.1Å; S744-L786 WeakPolarHBondContact OG-CD2 3.24Å; S744-V789 WeakPolarHBondContact O-CG1 3.4Å |
| 745 | I | 97.5 | Very high | 97.9 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 30% | 0.297 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.2 | -42 | 178.5 | -71.8 | -65.3 | 0 | 0 | 0 | 111.4 | G741 E742 I743 R785 Y788 | G741-I745 PolarHBondContact O-N 3.24Å; E742-I745 PolarHBondContact O-N 3.01Å; I743-I745 PolarHBondContact O-N 2.94Å; I745-R785 HydrophobicContact CD1-CB 4.16Å; I745-R785 HydrophobicContact CD1-CG 3.91Å; I745-R785 HydrophobicContact CG1-CB 4.18Å; I745-R785 HydrophobicContact CG1-CG 3.89Å; I745-Y788 HydrophobicContact CD1-CD1 3.92Å; I745-Y788 HydrophobicContact CD1-CE1 4.45Å |
| 746 | Q | 97.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 35.4 Ų | 35.4 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -74.7 | -34.4 | -178 | -65.5 | -64.4 | -20.3 | 0 | 0 | 113.3 | T703 F707 E742 I743 | T703-Q746 HydrophobicContact CG2-CB 4.27Å; T703-Q746 HydrophobicContact CG2-CG 3.8Å; F707-Q746 HydrophobicContact CB-CB 4.35Å; F707-Q746 HydrophobicContact CB-CG 4.19Å; F707-Q746 HydrophobicContact CD1-CB 3.63Å; F707-Q746 HydrophobicContact CD1-CG 4.36Å; F707-Q746 HydrophobicContact CD2-CB 3.63Å; F707-Q746 HydrophobicContact CD2-CG 4.09Å; F707-Q746 HydrophobicContact CE1-CB 3.67Å; F707-Q746 WeakPolarHBondContact CE1-O 3.49Å; F707-Q746 HydrophobicContact CE2-CB 3.69Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.96Å; F707-Q746 HydrophobicContact CZ-CB 3.7Å; E742-Q746 PolarHBondContact O-N 2.8Å; I743-Q746 PolarHBondContact O-N 2.86Å |
| 747 | M | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.9 | -31.5 | 178.4 | -76.7 | -74.7 | -73.9 | 0 | 0 | 113.2 | F707 I714 I743 I749 E750 M751 Y754 | F707-M747 HydrophobicContact CE2-CG 4.46Å; F707-M747 HydrophobicContact CZ-CG 3.85Å; F707-M747 HydrophobicContact CZ-SD 3.8Å; I714-M747 HydrophobicContact CG1-SD 4.45Å; I714-M747 HydrophobicContact CG2-CE 4.11Å; I714-M747 HydrophobicContact CG2-SD 4.22Å; I743-M747 HydrophobicContact CG2-CG 3.79Å; I743-M747 VanDerWaalsContact O-CB 3.29Å; I743-M747 WeakPolarHBondContact O-CB 3.43Å; I743-M747 VanDerWaalsContact O-CG 3.32Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 3.1Å; M747-I749 PolarHBondContact O-N 3.28Å; M747-E750 HydrophobicContact CE-CB 3.55Å; M747-E750 WeakPolarHBondContact CE-O 3.36Å; M747-E750 WeakPolarHBondContact O-CB 3.49Å; M747-E750 PolarHBondContact O-N 3.2Å; M747-E750 HydrophobicContact SD-CB 4.3Å; M747-M751 HydrophobicContact CB-CB 4.11Å; M747-M751 HydrophobicContact CB-SD 3.95Å; M747-M751 HydrophobicContact CG-SD 3.97Å; M747-Y754 HydrophobicContact CE-CE2 3.92Å |
| 748 | G | 97 | Very high | 97.7 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | 58.3 | -133.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S744 E750 M751 | S744-G748 PolarHBondContact O-N 2.84Å; S744-G748 VanDerWaalsContact O-N 3.1Å; G748-E750 PolarHBondContact O-N 3.01Å; G748-M751 VanDerWaalsContact O-CB 3.23Å; G748-M751 WeakPolarHBondContact O-CB 3.4Å; G748-M751 PolarHBondContact O-N 3.25Å |
| 749 | I | 97.5 | Very high | 97.8 | Very high | 111 Ų | 111 | 38 Ų | 38 | 57% | 0.569 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -64.2 | -20.6 | -178.4 | -164.9 | 59.8 | 0 | 0 | 0 | 113.5 | M747 M751 Q752 | M747-I749 PolarHBondContact O-N 3.28Å; I749-M751 PolarHBondContact O-N 3.01Å; I749-M751 VanDerWaalsContact O-N 3.08Å; I749-Q752 WeakPolarHBondContact O-CB 3.47Å; I749-Q752 PolarHBondContact O-N 2.94Å |
| 750 | E | 97.7 | Very high | 97.7 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -65.3 | -10.5 | 175.1 | -63.9 | -179.7 | -121.4 | 0 | 0 | 112 | K711 M747 G748 Q752 P753 | K711-E750 WeakPolarHBondContact CE-OE2 3.42Å; K711-E750 VanDerWaalsContact NZ-CD 3.3Å; K711-E750 IonicContact NZ-OE1 3.64Å; K711-E750 PolarHBondContact NZ-OE1 3.28Å; K711-E750 IonicContact NZ-OE2 3.61Å; K711-E750 PolarHBondContact NZ-OE2 2.97Å; K711-E750 VanDerWaalsContact NZ-OE2 3.13Å; M747-E750 HydrophobicContact CE-CB 3.55Å; M747-E750 WeakPolarHBondContact CE-O 3.36Å; M747-E750 WeakPolarHBondContact O-CB 3.49Å; M747-E750 PolarHBondContact O-N 3.2Å; M747-E750 HydrophobicContact SD-CB 4.3Å; G748-E750 PolarHBondContact O-N 3.01Å; E750-Q752 VanDerWaalsContact C-N 3.25Å; E750-Q752 PolarHBondContact O-N 2.91Å; E750-P753 WeakPolarHBondContact O-CD 3.45Å |
| 751 | M | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -73.1 | -16.2 | 176.2 | -153.4 | 57.7 | -157.1 | 0 | 0 | 113.8 | M718 I743 M747 G748 I749 P753 Y754 I755 L786 V789 | M718-M751 HydrophobicContact CE-CE 3.26Å; M718-M751 HydrophobicContact CG-CE 4.06Å; M718-M751 HydrophobicContact SD-CE 3.42Å; M718-M751 WeakPolarHBondContact SD-CE 3.35Å; I743-M751 HydrophobicContact CG2-CE 4.12Å; I743-M751 HydrophobicContact CG2-SD 3.89Å; M747-M751 HydrophobicContact CB-CB 4.11Å; M747-M751 HydrophobicContact CB-SD 3.95Å; M747-M751 HydrophobicContact CG-SD 3.97Å; G748-M751 VanDerWaalsContact O-CB 3.23Å; G748-M751 WeakPolarHBondContact O-CB 3.4Å; G748-M751 PolarHBondContact O-N 3.25Å; I749-M751 PolarHBondContact O-N 3.01Å; I749-M751 VanDerWaalsContact O-N 3.08Å; M751-P753 VanDerWaalsContact O-N 3.16Å; M751-Y754 HydrophobicContact CE-CD2 3.92Å; M751-Y754 HydrophobicContact CE-CG 3.98Å; M751-Y754 PolarHBondContact O-N 3.23Å; M751-Y754 HydrophobicContact SD-CD2 3.92Å; M751-I755 HydrophobicContact CB-CD1 4.44Å; M751-I755 HydrophobicContact CG-CD1 4.13Å; M751-I755 PolarHBondContact O-N 3.35Å; M751-L786 HydrophobicContact CG-CD2 4.28Å; M751-V789 HydrophobicContact CB-CG2 4.18Å |
| 752 | Q | 97.8 | Very high | 97.7 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -45.8 | -46 | -176.4 | -169.6 | -167.1 | 26.4 | 0 | 0 | 114.7 | I749 E750 Y754 I755 C790 E793 | I749-Q752 WeakPolarHBondContact O-CB 3.47Å; I749-Q752 PolarHBondContact O-N 2.94Å; E750-Q752 VanDerWaalsContact C-N 3.25Å; E750-Q752 PolarHBondContact O-N 2.91Å; Q752-Y754 PolarHBondContact O-N 3.48Å; Q752-I755 PolarHBondContact O-N 3.07Å; Q752-C790 PolarHBondContact N-SG 3.28Å; Q752-C790 VanDerWaalsContact N-SG 3.42Å; Q752-E793 HydrophobicContact CG-CG 4.02Å; Q752-E793 WeakPolarHBondContact CG-OE1 3.16Å; Q752-E793 PolarHBondContact NE2-OE1 3.29Å |
| 753 | P | 97.8 | Very high | 97.7 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 62% | 0.623 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -66 | -23.1 | -177.3 | -19.9 | 34.7 | 0 | 0 | 0 | 113.8 | E750 M751 | E750-P753 WeakPolarHBondContact O-CD 3.45Å; M751-P753 VanDerWaalsContact O-N 3.16Å |
| 754 | Y | 98.1 | Very high | 97.6 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -95.3 | -16.9 | -175.6 | -52.8 | -76.6 | 0 | 0 | 0 | 113 | I714 A715 M718 M747 M751 Q752 P756 M757 V758 | I714-Y754 HydrophobicContact CG2-CE2 4.16Å; A715-Y754 WeakPolarHBondContact CA-OH 3.47Å; M718-Y754 HydrophobicContact CB-CD1 3.45Å; M718-Y754 VanDerWaalsContact CB-CD1 3.45Å; M718-Y754 HydrophobicContact CB-CE1 3.73Å; M718-Y754 HydrophobicContact CB-CG 4.1Å; M718-Y754 HydrophobicContact CG-CD1 3.77Å; M718-Y754 HydrophobicContact CG-CD2 4.37Å; M718-Y754 HydrophobicContact CG-CE1 4.02Å; M718-Y754 HydrophobicContact CG-CG 3.96Å; M747-Y754 HydrophobicContact CE-CE2 3.92Å; M751-Y754 HydrophobicContact CE-CD2 3.92Å; M751-Y754 HydrophobicContact CE-CG 3.98Å; M751-Y754 PolarHBondContact O-N 3.23Å; M751-Y754 HydrophobicContact SD-CD2 3.92Å; Q752-Y754 PolarHBondContact O-N 3.48Å; Y754-P756 VanDerWaalsContact C-CD 3.46Å; Y754-M757 WeakPolarHBondContact O-CB 3.35Å; Y754-M757 PolarHBondContact O-N 2.99Å; Y754-M757 VanDerWaalsContact O-N 3.11Å; Y754-V758 PolarHBondContact O-N 2.86Å |
| 755 | I | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -50.6 | -48.2 | 179.7 | -54.7 | -59.1 | 0 | 0 | 0 | 112.6 | M751 Q752 M757 V758 L759 L786 C790 E793 V794 | M751-I755 HydrophobicContact CB-CD1 4.44Å; M751-I755 HydrophobicContact CG-CD1 4.13Å; M751-I755 PolarHBondContact O-N 3.35Å; Q752-I755 PolarHBondContact O-N 3.07Å; I755-M757 PolarHBondContact O-N 3.38Å; I755-M757 VanDerWaalsContact O-N 3.17Å; I755-V758 PolarHBondContact O-N 2.96Å; I755-L759 HydrophobicContact CG2-CB 4.02Å; I755-L759 HydrophobicContact CG2-CD2 3.92Å; I755-L759 WeakPolarHBondContact O-CB 3.46Å; I755-L759 PolarHBondContact O-N 3.22Å; I755-L786 HydrophobicContact CD1-CB 4.29Å; I755-L786 HydrophobicContact CD1-CD2 3.46Å; I755-L786 VanDerWaalsContact CD1-CD2 3.46Å; I755-L786 HydrophobicContact CD1-CG 4.41Å; I755-C790 HydrophobicContact CD1-CB 3.91Å; I755-C790 HydrophobicContact CG1-CB 3.88Å; I755-E793 HydrophobicContact CB-CB 4.3Å; I755-E793 HydrophobicContact CG1-CB 4.35Å; I755-E793 HydrophobicContact CG2-CB 3.89Å; I755-V794 HydrophobicContact CG2-CG2 3.91Å |
| 756 | P | 96.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | -176.3 | -23.8 | 35.9 | 0 | 0 | 0 | 113.9 | Y754 H760 | Y754-P756 VanDerWaalsContact C-CD 3.46Å; P756-H760 PolarHBondContact O-ND1 3.5Å |
| 757 | M | 96.2 | Very high | 97.7 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.9 | -41.8 | -178.4 | 177.6 | -171.6 | -65.9 | 0 | 0 | 112.1 | P719 Y754 I755 Q761 | P719-M757 VanDerWaalsContact CA-SD 3.55Å; P719-M757 HydrophobicContact CB-CE 4.35Å; P719-M757 HydrophobicContact CB-SD 4.48Å; P719-M757 HydrophobicContact CG-CE 4.2Å; Y754-M757 WeakPolarHBondContact O-CB 3.35Å; Y754-M757 PolarHBondContact O-N 2.99Å; Y754-M757 VanDerWaalsContact O-N 3.11Å; I755-M757 PolarHBondContact O-N 3.38Å; I755-M757 VanDerWaalsContact O-N 3.17Å; M757-Q761 PolarHBondContact O-OE1 2.95Å |
| 758 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -98.6 | -33.3 | -172.6 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | M718 L725 I740 Y754 I755 H760 Q761 L762 L786 | M718-V758 HydrophobicContact CE-CG1 3.64Å; L725-V758 HydrophobicContact CD1-CB 3.95Å; L725-V758 HydrophobicContact CD1-CG1 4.24Å; I740-V758 HydrophobicContact CD1-CB 4.31Å; I740-V758 HydrophobicContact CD1-CG1 3.81Å; I740-V758 HydrophobicContact CG1-CG1 4.47Å; I740-V758 HydrophobicContact CG2-CG2 4.29Å; Y754-V758 PolarHBondContact O-N 2.86Å; I755-V758 PolarHBondContact O-N 2.96Å; V758-H760 PolarHBondContact O-N 3.08Å; V758-Q761 PolarHBondContact O-N 3.49Å; V758-L762 HydrophobicContact CB-CD1 4.4Å; V758-L762 HydrophobicContact CG2-CD1 4.45Å; V758-L762 WeakPolarHBondContact O-CG 3.41Å; V758-L762 PolarHBondContact O-N 3.36Å; V758-L786 HydrophobicContact CG2-CD1 4.03Å; V758-L786 HydrophobicContact CG2-CD2 4.35Å |
| 759 | L | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | -170.1 | 179.2 | 60.6 | 0 | 0 | 0 | 112.7 | I755 Q761 L762 V763 V794 M797 | I755-L759 HydrophobicContact CG2-CB 4.02Å; I755-L759 HydrophobicContact CG2-CD2 3.92Å; I755-L759 WeakPolarHBondContact O-CB 3.46Å; I755-L759 PolarHBondContact O-N 3.22Å; L759-Q761 VanDerWaalsContact C-N 3.32Å; L759-Q761 PolarHBondContact O-N 3Å; L759-L762 PolarHBondContact O-N 3.02Å; L759-V763 HydrophobicContact CD1-CG2 4.06Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 VanDerWaalsContact O-CG2 3.3Å; L759-V763 WeakPolarHBondContact O-CG2 3.49Å; L759-V763 PolarHBondContact O-N 3.08Å; L759-V794 HydrophobicContact CD1-CG1 3.79Å; L759-V794 HydrophobicContact CD2-CB 4.26Å; L759-V794 HydrophobicContact CD2-CG1 4.04Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; L759-M797 HydrophobicContact CD2-CG 4.32Å; L759-M797 HydrophobicContact CD2-SD 3.53Å; L759-M797 VanDerWaalsContact CD2-SD 3.53Å; L759-M797 HydrophobicContact CG-SD 3.73Å |
| 760 | H | 96.8 | Very high | 96.9 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | -179.6 | -68.1 | 93.3 | 0 | 0 | 0 | 111.9 | P756 V758 V763 E764 | P756-H760 PolarHBondContact O-ND1 3.5Å; V758-H760 PolarHBondContact O-N 3.08Å; H760-V763 PolarHBondContact O-N 3.25Å; H760-E764 PolarHBondContact O-N 2.97Å |
| 761 | Q | 97.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.6 | -42.3 | 179.1 | -65.2 | 168.5 | -31.1 | 0 | 0 | 111.4 | G722 L725 M757 V758 L759 V763 E764 I765 | G722-Q761 PolarHBondContact O-NE2 3.12Å; G722-Q761 PolarHBondContact O-OE1 2.91Å; L725-Q761 HydrophobicContact CB-CB 3.85Å; L725-Q761 HydrophobicContact CB-CG 4.49Å; L725-Q761 HydrophobicContact CD1-CB 3.94Å; M757-Q761 PolarHBondContact O-OE1 2.95Å; V758-Q761 PolarHBondContact O-N 3.49Å; L759-Q761 VanDerWaalsContact C-N 3.32Å; L759-Q761 PolarHBondContact O-N 3Å; Q761-V763 VanDerWaalsContact C-N 3.31Å; Q761-V763 PolarHBondContact O-N 3.41Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 PolarHBondContact O-N 3.4Å; Q761-E764 VanDerWaalsContact O-N 3.12Å; Q761-I765 WeakPolarHBondContact O-CD1 3.43Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.47Å; Q761-I765 PolarHBondContact O-N 2.92Å |
| 762 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.1 | -66.3 | 168.9 | 0 | 0 | 0 | 112 | L725 T737 V758 L759 E764 I765 I766 T779 T782 I783 L786 | L725-L762 HydrophobicContact CD1-CD2 3.96Å; L725-L762 HydrophobicContact CD1-CG 3.89Å; L725-L762 HydrophobicContact CD2-CD2 3.96Å; T737-L762 HydrophobicContact CG2-CD2 3.84Å; V758-L762 HydrophobicContact CB-CD1 4.4Å; V758-L762 HydrophobicContact CG2-CD1 4.45Å; V758-L762 WeakPolarHBondContact O-CG 3.41Å; V758-L762 PolarHBondContact O-N 3.36Å; L759-L762 PolarHBondContact O-N 3.02Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-I765 PolarHBondContact O-N 2.79Å; L762-I766 PolarHBondContact O-N 3.03Å; L762-T779 HydrophobicContact CB-CG2 4.13Å; L762-T779 HydrophobicContact CD2-CG2 4.02Å; L762-T779 VanDerWaalsContact O-CG2 3.31Å; L762-T779 WeakPolarHBondContact O-CG2 3.43Å; L762-T782 HydrophobicContact CD1-CG2 3.77Å; L762-T782 HydrophobicContact CD2-CG2 4.36Å; L762-I783 HydrophobicContact CB-CD1 3.95Å; L762-I783 HydrophobicContact CB-CG1 3.76Å; L762-I783 HydrophobicContact CD1-CG1 4.2Å; L762-L786 HydrophobicContact CD1-CD1 3.47Å; L762-L786 VanDerWaalsContact CD1-CD1 3.47Å |
| 763 | V | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | L759 H760 Q761 I766 N767 I783 M797 Q800 F801 | L759-V763 HydrophobicContact CD1-CG2 4.06Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 VanDerWaalsContact O-CG2 3.3Å; L759-V763 WeakPolarHBondContact O-CG2 3.49Å; L759-V763 PolarHBondContact O-N 3.08Å; H760-V763 PolarHBondContact O-N 3.25Å; Q761-V763 VanDerWaalsContact C-N 3.31Å; Q761-V763 PolarHBondContact O-N 3.41Å; V763-I766 WeakPolarHBondContact O-CG2 3.39Å; V763-N767 PolarHBondContact O-ND2 3.39Å; V763-I783 HydrophobicContact CG2-CD1 4.48Å; V763-M797 HydrophobicContact CB-CE 4.03Å; V763-M797 HydrophobicContact CG1-CE 4.03Å; V763-M797 HydrophobicContact CG2-CE 3.88Å; V763-Q800 HydrophobicContact CG1-CB 3.9Å; V763-F801 HydrophobicContact CG2-CB 4.33Å; V763-F801 HydrophobicContact CG2-CD1 3.66Å; V763-F801 HydrophobicContact CG2-CE1 4.4Å; V763-F801 HydrophobicContact CG2-CG 4.35Å |
| 764 | E | 97.5 | Very high | 95.9 | Very high | 140 Ų | 140 | 56.9 Ų | 56.9 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.5 | -48.4 | 172 | -173.2 | 176.2 | 167.3 | 0 | 0 | 111.3 | H760 Q761 L762 I766 N767 R768 | H760-E764 PolarHBondContact O-N 2.97Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 PolarHBondContact O-N 3.4Å; Q761-E764 VanDerWaalsContact O-N 3.12Å; L762-E764 VanDerWaalsContact C-N 3.31Å; E764-I766 PolarHBondContact O-N 2.94Å; E764-N767 PolarHBondContact O-N 3.18Å; E764-R768 PolarHBondContact O-N 2.98Å; E764-R768 VanDerWaalsContact O-N 3.08Å |
| 765 | I | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 179.7 | -68 | 159 | 0 | 0 | 0 | 111.1 | L725 P727 Q761 L762 N767 R768 T771 L775 T779 | L725-I765 HydrophobicContact CB-CD1 3.99Å; L725-I765 HydrophobicContact CD2-CD1 4.27Å; P727-I765 HydrophobicContact CB-CG1 4.43Å; P727-I765 HydrophobicContact CG-CG1 3.83Å; Q761-I765 WeakPolarHBondContact O-CD1 3.43Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.47Å; Q761-I765 PolarHBondContact O-N 2.92Å; L762-I765 PolarHBondContact O-N 2.79Å; I765-N767 PolarHBondContact O-N 3.02Å; I765-N767 VanDerWaalsContact O-N 3.14Å; I765-R768 WeakPolarHBondContact O-CB 3.43Å; I765-R768 PolarHBondContact O-N 3.21Å; I765-T771 HydrophobicContact CG2-CG2 4.34Å; I765-L775 HydrophobicContact CG2-CD1 4.29Å; I765-L775 HydrophobicContact CG2-CD2 4.1Å; I765-L775 HydrophobicContact CG2-CG 3.98Å; I765-T779 HydrophobicContact CB-CG2 4.28Å; I765-T779 HydrophobicContact CG2-CG2 4.16Å; I765-T779 WeakPolarHBondContact CG2-OG1 3.31Å |
| 766 | I | 97.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -19.7 | -175.6 | -157.8 | 169.6 | 0 | 0 | 0 | 113.6 | L762 V763 E764 L776 T779 A780 I783 F801 P804 W805 | L762-I766 PolarHBondContact O-N 3.03Å; V763-I766 WeakPolarHBondContact O-CG2 3.39Å; E764-I766 PolarHBondContact O-N 2.94Å; I766-L776 HydrophobicContact CG1-CD2 4.32Å; I766-T779 HydrophobicContact CB-CG2 3.86Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; I766-A780 HydrophobicContact CD1-CB 3.96Å; I766-I783 HydrophobicContact CB-CD1 4.45Å; I766-I783 HydrophobicContact CD1-CD1 4.08Å; I766-I783 HydrophobicContact CG2-CD1 4.2Å; I766-F801 HydrophobicContact CG2-CB 3.79Å; I766-P804 HydrophobicContact CG1-CB 4.05Å; I766-P804 HydrophobicContact CG1-CG 4.17Å; I766-P804 HydrophobicContact CG2-CG 4.3Å; I766-P804 WeakPolarHBondContact O-CB 3.47Å; I766-W805 HydrophobicContact CD1-CB 3.88Å; I766-W805 HydrophobicContact CD1-CG 4.5Å |
| 767 | N | 97.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -99.7 | -5.7 | 177.2 | -75.9 | -68.9 | 0 | 0 | 0 | 113.1 | V763 E764 I765 Q800 | V763-N767 PolarHBondContact O-ND2 3.39Å; E764-N767 PolarHBondContact O-N 3.18Å; I765-N767 PolarHBondContact O-N 3.02Å; I765-N767 VanDerWaalsContact O-N 3.14Å; N767-Q800 PolarHBondContact ND2-O 2.82Å; N767-Q800 PolarHBondContact OD1-O 2.74Å |
| 768 | R | 95.5 | Very high | 95.7 | Very high | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -70.6 | 127.7 | -178.9 | -178.9 | 177.2 | 177.1 | 165.9 | -2.2 | 109.7 | P727 E764 I765 T771 | P727-R768 VanDerWaalsContact CB-NH1 3.34Å; P727-R768 VanDerWaalsContact CG-NH1 3.27Å; E764-R768 PolarHBondContact O-N 2.98Å; E764-R768 VanDerWaalsContact O-N 3.08Å; I765-R768 WeakPolarHBondContact O-CB 3.43Å; I765-R768 PolarHBondContact O-N 3.21Å; R768-T771 WeakPolarHBondContact CB-OG1 3.31Å; R768-T771 PolarHBondContact O-OG1 3.03Å |
| 769 | P | 92.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 66% | 0.656 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 150.4 | 175.6 | 27 | -32.6 | 0 | 0 | 0 | 110.8 | T771 | P769-T771 PolarHBondContact O-N 3.28Š|
| 770 | N | 89.1 | Confident | 95.7 | Very high | 169 Ų | 169 | 49.2 Ų | 49.2 | 90% | 0.904 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 29.2 | -179.8 | -49.9 | -18.8 | 0 | 0 | 0 | 114 | ||
| 771 | T | 92.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | trans | -77.7 | 133 | 171.5 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | I765 R768 P769 L775 L776 | I765-T771 HydrophobicContact CG2-CG2 4.34Å; R768-T771 WeakPolarHBondContact CB-OG1 3.31Å; R768-T771 PolarHBondContact O-OG1 3.03Å; P769-T771 PolarHBondContact O-N 3.28Å; T771-L775 HydrophobicContact CG2-CB 4.13Å; T771-L775 HydrophobicContact CG2-CD2 3.73Å; T771-L775 HydrophobicContact CG2-CG 3.91Å; T771-L776 HydrophobicContact CG2-CD2 3.83Å; T771-L776 HydrophobicContact CG2-CG 3.81Å; T771-L776 WeakPolarHBondContact O-CD1 3.35Å | ||
| 772 | P | 92.7 | Very high | 95.8 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | trans | -56.5 | 146.4 | 177.7 | -27.7 | 36.1 | 0 | 0 | 0 | 113 | I730 T774 L775 L776 | I730-P772 HydrophobicContact CD1-CG 3.9Å; I730-P772 HydrophobicContact CG1-CG 4.41Å; I730-P772 HydrophobicContact CG2-CG 3.84Å; P772-T774 PolarHBondContact O-N 3.12Å; P772-L775 PolarHBondContact O-N 3.43Å; P772-L776 WeakPolarHBondContact O-CG 3.37Å; P772-L776 PolarHBondContact O-N 2.77Å | ||
| 773 | K | 93.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 41.4 Ų | 41.4 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.3 | -46.7 | -176.4 | 179.7 | -177.4 | 167 | -162.2 | 0 | 111.9 | L775 L776 E777 | K773-L775 PolarHBondContact O-N 3.41Å; K773-L776 WeakPolarHBondContact O-CB 3.28Å; K773-L776 PolarHBondContact O-N 3.49Å; K773-L776 VanDerWaalsContact O-N 3.15Å; K773-E777 WeakPolarHBondContact CE-OE1 3.2Å; K773-E777 HydrophobicContact CG-CG 4.4Å; K773-E777 WeakPolarHBondContact CG-OE1 3.44Å; K773-E777 VanDerWaalsContact O-CG 3.3Å; K773-E777 WeakPolarHBondContact O-CG 3.34Å; K773-E777 PolarHBondContact O-N 2.95Å |
| 774 | T | 91.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 41 Ų | 41 | 20% | 0.202 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | 179.6 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | A354 P772 E777 N778 | A354-T774 HydrophobicContact CB-CG2 4.21Å; P772-T774 PolarHBondContact O-N 3.12Å; T774-E777 PolarHBondContact O-N 2.68Å; T774-N778 PolarHBondContact O-N 3.31Å |
| 775 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.3 | 177.7 | 57.4 | 0 | 0 | 0 | 111.9 | P727 N734 I765 T771 P772 K773 T779 | P727-L775 HydrophobicContact CB-CD2 4.49Å; N734-L775 HydrophobicContact CB-CD1 4.08Å; I765-L775 HydrophobicContact CG2-CD1 4.29Å; I765-L775 HydrophobicContact CG2-CD2 4.1Å; I765-L775 HydrophobicContact CG2-CG 3.98Å; T771-L775 HydrophobicContact CG2-CB 4.13Å; T771-L775 HydrophobicContact CG2-CD2 3.73Å; T771-L775 HydrophobicContact CG2-CG 3.91Å; P772-L775 PolarHBondContact O-N 3.43Å; K773-L775 PolarHBondContact O-N 3.41Å; L775-T779 WeakPolarHBondContact O-CB 3.46Å; L775-T779 PolarHBondContact O-N 3.02Å; L775-T779 PolarHBondContact O-OG1 3.31Å |
| 776 | L | 96.7 | Very high | 95.9 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.194 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176 | -73.6 | 174.8 | 0 | 0 | 0 | 112 | I766 T771 P772 K773 T779 A780 | I766-L776 HydrophobicContact CG1-CD2 4.32Å; T771-L776 HydrophobicContact CG2-CD2 3.83Å; T771-L776 HydrophobicContact CG2-CG 3.81Å; T771-L776 WeakPolarHBondContact O-CD1 3.35Å; P772-L776 WeakPolarHBondContact O-CG 3.37Å; P772-L776 PolarHBondContact O-N 2.77Å; K773-L776 WeakPolarHBondContact O-CB 3.28Å; K773-L776 PolarHBondContact O-N 3.49Å; K773-L776 VanDerWaalsContact O-N 3.15Å; L776-T779 PolarHBondContact O-N 3.08Å; L776-A780 WeakPolarHBondContact O-CB 3.49Å; L776-A780 PolarHBondContact O-N 3Å |
| 777 | E | 95.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -49.2 | 178.6 | -69.5 | 178.4 | 177.7 | 0 | 0 | 111.7 | H357 K773 T774 T779 A780 I781 I812 | H357-E777 IonicContact CE1-OE2 2.72Å; H357-E777 IonicContact NE2-OE2 2.65Å; K773-E777 WeakPolarHBondContact CE-OE1 3.2Å; K773-E777 HydrophobicContact CG-CG 4.4Å; K773-E777 WeakPolarHBondContact CG-OE1 3.44Å; K773-E777 VanDerWaalsContact O-CG 3.3Å; K773-E777 WeakPolarHBondContact O-CG 3.34Å; K773-E777 PolarHBondContact O-N 2.95Å; T774-E777 PolarHBondContact O-N 2.68Å; E777-T779 VanDerWaalsContact C-N 3.32Å; E777-T779 PolarHBondContact O-N 3.48Å; E777-A780 PolarHBondContact O-N 3.39Å; E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 3.27Å; E777-I812 HydrophobicContact CB-CD1 3.81Å; E777-I812 HydrophobicContact CG-CD1 3.67Å; E777-I812 HydrophobicContact CG-CG1 4.23Å |
| 778 | N | 96.5 | Very high | 96 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -38 | 176.4 | -82.1 | -14 | 0 | 0 | 0 | 112.2 | V353 N734 T737 T774 I781 T782 | V353-N778 PolarHBondContact O-ND2 3.01Å; N734-N778 WeakPolarHBondContact OD1-CB 3.31Å; N734-N778 PolarHBondContact OD1-ND2 3.02Å; T737-N778 HydrophobicContact CG2-CB 4.29Å; T737-N778 WeakPolarHBondContact CG2-O 3.27Å; T774-N778 PolarHBondContact O-N 3.31Å; N778-I781 PolarHBondContact O-N 3.29Å; N778-T782 VanDerWaalsContact O-CB 3.31Å; N778-T782 WeakPolarHBondContact O-CB 3.28Å; N778-T782 PolarHBondContact O-N 3.36Å; N778-T782 PolarHBondContact O-OG1 3.07Å |
| 779 | T | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 173.9 | -59.9 | 0 | 0 | 0 | 0 | 111 | L762 I765 I766 L775 L776 E777 T782 I783 | L762-T779 HydrophobicContact CB-CG2 4.13Å; L762-T779 HydrophobicContact CD2-CG2 4.02Å; L762-T779 VanDerWaalsContact O-CG2 3.31Å; L762-T779 WeakPolarHBondContact O-CG2 3.43Å; I765-T779 HydrophobicContact CB-CG2 4.28Å; I765-T779 HydrophobicContact CG2-CG2 4.16Å; I765-T779 WeakPolarHBondContact CG2-OG1 3.31Å; I766-T779 HydrophobicContact CB-CG2 3.86Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; L775-T779 WeakPolarHBondContact O-CB 3.46Å; L775-T779 PolarHBondContact O-N 3.02Å; L775-T779 PolarHBondContact O-OG1 3.31Å; L776-T779 PolarHBondContact O-N 3.08Å; E777-T779 VanDerWaalsContact C-N 3.32Å; E777-T779 PolarHBondContact O-N 3.48Å; T779-T782 PolarHBondContact O-N 2.91Å; T779-I783 HydrophobicContact CG2-CD1 3.98Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.24Å |
| 780 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I766 L776 E777 T782 I783 G784 W805 L809 | I766-A780 HydrophobicContact CD1-CB 3.96Å; L776-A780 WeakPolarHBondContact O-CB 3.49Å; L776-A780 PolarHBondContact O-N 3Å; E777-A780 PolarHBondContact O-N 3.39Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.04Å; A780-I783 PolarHBondContact O-N 3.08Å; A780-G784 PolarHBondContact O-N 3.4Å; A780-W805 HydrophobicContact CB-CG 4.04Å; A780-W805 PolarHBondContact O-NE1 3.2Å; A780-L809 HydrophobicContact CB-CD1 4.12Å; A780-L809 HydrophobicContact CB-CD2 3.77Å; A780-L809 HydrophobicContact CB-CG 3.76Å |
| 781 | I | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 175.6 | -74.9 | 156.6 | 0 | 0 | 0 | 111 | E777 N778 G784 R785 L809 I812 E817 A821 | E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 3.27Å; N778-I781 PolarHBondContact O-N 3.29Å; I781-G784 PolarHBondContact O-N 3.26Å; I781-R785 HydrophobicContact CG2-CG 4.34Å; I781-R785 WeakPolarHBondContact O-CG 3.49Å; I781-R785 PolarHBondContact O-N 2.72Å; I781-L809 HydrophobicContact CD1-CD2 4.23Å; I781-L809 HydrophobicContact CG1-CD1 4.24Å; I781-L809 HydrophobicContact CG1-CD2 3.86Å; I781-I812 HydrophobicContact CD1-CD1 4.47Å; I781-E817 HydrophobicContact CD1-CB 3.97Å; I781-E817 HydrophobicContact CG1-CB 4.42Å; I781-E817 HydrophobicContact CG2-CB 4.17Å; I781-A821 HydrophobicContact CB-CB 4.39Å; I781-A821 HydrophobicContact CG1-CB 4.2Å |
| 782 | T | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | T737 I740 L762 N778 T779 A780 G784 R785 L786 | T737-T782 HydrophobicContact CG2-CG2 4.34Å; T737-T782 WeakPolarHBondContact CG2-OG1 3.46Å; T737-T782 PolarHBondContact O-OG1 3.25Å; T737-T782 VanDerWaalsContact O-OG1 3.04Å; I740-T782 HydrophobicContact CB-CG2 4.15Å; I740-T782 HydrophobicContact CG2-CG2 3.78Å; L762-T782 HydrophobicContact CD1-CG2 3.77Å; L762-T782 HydrophobicContact CD2-CG2 4.36Å; N778-T782 VanDerWaalsContact O-CB 3.31Å; N778-T782 WeakPolarHBondContact O-CB 3.28Å; N778-T782 PolarHBondContact O-N 3.36Å; N778-T782 PolarHBondContact O-OG1 3.07Å; T779-T782 PolarHBondContact O-N 2.91Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.04Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.47Å; T782-R785 PolarHBondContact O-N 3.1Å; T782-L786 HydrophobicContact CG2-CD1 4.27Å; T782-L786 VanDerWaalsContact O-CG 3.29Å; T782-L786 WeakPolarHBondContact O-CG 3.45Å; T782-L786 PolarHBondContact O-N 3.08Å |
| 783 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 174.4 | -67.6 | 170.6 | 0 | 0 | 0 | 111.1 | L762 V763 I766 T779 A780 L786 G787 V794 F801 | L762-I783 HydrophobicContact CB-CD1 3.95Å; L762-I783 HydrophobicContact CB-CG1 3.76Å; L762-I783 HydrophobicContact CD1-CG1 4.2Å; V763-I783 HydrophobicContact CG2-CD1 4.48Å; I766-I783 HydrophobicContact CB-CD1 4.45Å; I766-I783 HydrophobicContact CD1-CD1 4.08Å; I766-I783 HydrophobicContact CG2-CD1 4.2Å; T779-I783 HydrophobicContact CG2-CD1 3.98Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.24Å; A780-I783 PolarHBondContact O-N 3.08Å; I783-L786 PolarHBondContact O-N 3.43Å; I783-G787 PolarHBondContact O-N 3.25Å; I783-V794 HydrophobicContact CG2-CG1 4.47Å; I783-F801 HydrophobicContact CD1-CG 4.43Å; I783-F801 HydrophobicContact CG2-CD1 4.31Å; I783-F801 HydrophobicContact CG2-CD2 3.76Å; I783-F801 HydrophobicContact CG2-CE1 3.93Å; I783-F801 HydrophobicContact CG2-CE2 3.37Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.45Å; I783-F801 VanDerWaalsContact CG2-CZ 3.45Å |
| 784 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A780 I781 T782 L786 G787 Y788 G824 | A780-G784 PolarHBondContact O-N 3.4Å; I781-G784 PolarHBondContact O-N 3.26Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.47Å; G784-L786 PolarHBondContact O-N 3.03Å; G784-G787 CarbonylContact O-C 3.3Å; G784-G787 WeakPolarHBondContact O-CA 3.43Å; G784-G787 PolarHBondContact O-N 2.66Å; G784-G787 VanDerWaalsContact O-N 3.12Å; G784-Y788 PolarHBondContact O-N 2.67Å; G784-G824 VanDerWaalsContact O-CA 3.24Å; G784-G824 WeakPolarHBondContact O-CA 3.34Å |
| 785 | R | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 5% | 0.049 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.6 | -70.5 | 177.1 | 164 | -176.2 | -5.4 | 112.7 | G741 E742 I745 I781 T782 G787 Y788 V789 S820 | G741-R785 WeakPolarHBondContact O-CD 3.04Å; E742-R785 IonicContact OE1-CZ 3.14Å; E742-R785 IonicContact OE1-NH1 2.7Å; E742-R785 PolarHBondContact OE1-NH1 3.08Å; E742-R785 IonicContact OE1-NH2 2.79Å; E742-R785 PolarHBondContact OE1-NH2 3.35Å; I745-R785 HydrophobicContact CD1-CB 4.16Å; I745-R785 HydrophobicContact CD1-CG 3.91Å; I745-R785 HydrophobicContact CG1-CB 4.18Å; I745-R785 HydrophobicContact CG1-CG 3.89Å; I781-R785 HydrophobicContact CG2-CG 4.34Å; I781-R785 WeakPolarHBondContact O-CG 3.49Å; I781-R785 PolarHBondContact O-N 2.72Å; T782-R785 PolarHBondContact O-N 3.1Å; R785-G787 VanDerWaalsContact C-N 3.34Å; R785-G787 PolarHBondContact O-N 2.82Å; R785-Y788 WeakPolarHBondContact O-CB 3.26Å; R785-Y788 PolarHBondContact O-N 3.36Å; R785-Y788 VanDerWaalsContact O-N 3.15Å; R785-V789 PolarHBondContact O-N 3.28Å; R785-S820 WeakPolarHBondContact CG-OG 3.32Å; R785-S820 PolarHBondContact NE-OG 3.37Å |
| 786 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 172.3 | -68.6 | 169.2 | 0 | 0 | 0 | 111.2 | S744 M751 I755 V758 L762 T782 I783 G784 Y788 V789 C790 V794 | S744-L786 WeakPolarHBondContact OG-CD2 3.24Å; M751-L786 HydrophobicContact CG-CD2 4.28Å; I755-L786 HydrophobicContact CD1-CB 4.29Å; I755-L786 HydrophobicContact CD1-CD2 3.46Å; I755-L786 VanDerWaalsContact CD1-CD2 3.46Å; I755-L786 HydrophobicContact CD1-CG 4.41Å; V758-L786 HydrophobicContact CG2-CD1 4.03Å; V758-L786 HydrophobicContact CG2-CD2 4.35Å; L762-L786 HydrophobicContact CD1-CD1 3.47Å; L762-L786 VanDerWaalsContact CD1-CD1 3.47Å; T782-L786 HydrophobicContact CG2-CD1 4.27Å; T782-L786 VanDerWaalsContact O-CG 3.29Å; T782-L786 WeakPolarHBondContact O-CG 3.45Å; T782-L786 PolarHBondContact O-N 3.08Å; I783-L786 PolarHBondContact O-N 3.43Å; G784-L786 PolarHBondContact O-N 3.03Å; L786-Y788 VanDerWaalsContact C-N 3.25Å; L786-Y788 PolarHBondContact O-N 2.89Å; L786-V789 PolarHBondContact O-N 3.17Å; L786-C790 PolarHBondContact O-N 3.1Å; L786-V794 HydrophobicContact CB-CG2 3.99Å |
| 787 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.4 | -23.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I783 G784 R785 P791 | I783-G787 PolarHBondContact O-N 3.25Å; G784-G787 CarbonylContact O-C 3.3Å; G784-G787 WeakPolarHBondContact O-CA 3.43Å; G784-G787 PolarHBondContact O-N 2.66Å; G784-G787 VanDerWaalsContact O-N 3.12Å; R785-G787 VanDerWaalsContact C-N 3.34Å; R785-G787 PolarHBondContact O-N 2.82Å; G787-P791 WeakPolarHBondContact O-CA 3.49Å; G787-P791 VanDerWaalsContact O-CB 3.3Å; G787-P791 WeakPolarHBondContact O-CB 3.48Å |
| 788 | Y | 98.2 | Very high | 98.2 | Very high | 99 Ų | 99 | 21.9 Ų | 21.9 | 39% | 0.388 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -71.5 | -40.7 | 174.6 | -174 | -145.1 | 0 | 0 | 0 | 111.7 | I745 G784 R785 L786 R823 | I745-Y788 HydrophobicContact CD1-CD1 3.92Å; I745-Y788 HydrophobicContact CD1-CE1 4.45Å; G784-Y788 PolarHBondContact O-N 2.67Å; R785-Y788 WeakPolarHBondContact O-CB 3.26Å; R785-Y788 PolarHBondContact O-N 3.36Å; R785-Y788 VanDerWaalsContact O-N 3.15Å; L786-Y788 VanDerWaalsContact C-N 3.25Å; L786-Y788 PolarHBondContact O-N 2.89Å; Y788-R823 HydrophobicContact CD2-CB 3.86Å; Y788-R823 HydrophobicContact CE2-CB 3.85Å; Y788-R823 HydrophobicContact CG-CB 4.29Å |
| 789 | V | 98.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 25.9 Ų | 25.9 | 13% | 0.127 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -94 | -29.4 | -175 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | S744 M751 R785 L786 | S744-V789 WeakPolarHBondContact O-CG1 3.4Å; M751-V789 HydrophobicContact CB-CG2 4.18Å; R785-V789 PolarHBondContact O-N 3.28Å; L786-V789 PolarHBondContact O-N 3.17Å |
| 790 | C | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -132.2 | 61.9 | -179.8 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | Q752 I755 L786 Q792 E793 V794 | Q752-C790 PolarHBondContact N-SG 3.28Å; Q752-C790 VanDerWaalsContact N-SG 3.42Å; I755-C790 HydrophobicContact CD1-CB 3.91Å; I755-C790 HydrophobicContact CG1-CB 3.88Å; L786-C790 PolarHBondContact O-N 3.1Å; C790-Q792 VanDerWaalsContact C-N 3.28Å; C790-Q792 PolarHBondContact O-N 3.41Å; C790-E793 HydrophobicContact CB-CB 4.45Å; C790-E793 WeakPolarHBondContact CB-OE2 3.3Å; C790-E793 PolarHBondContact O-N 3.43Å; C790-V794 WeakPolarHBondContact O-CG2 3.26Å; C790-V794 PolarHBondContact O-N 2.82Å | ||
| 791 | P | 97.9 | Very high | 98.2 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -27.6 | -172.8 | 24.4 | -35.1 | 0 | 0 | 0 | 114 | G787 E793 A795 T827 V831 | G787-P791 WeakPolarHBondContact O-CA 3.49Å; G787-P791 VanDerWaalsContact O-CB 3.3Å; G787-P791 WeakPolarHBondContact O-CB 3.48Å; P791-E793 VanDerWaalsContact C-N 3.32Å; P791-A795 WeakPolarHBondContact O-CB 3.18Å; P791-A795 PolarHBondContact O-N 2.83Å; P791-T827 HydrophobicContact CB-CG2 3.67Å; P791-T827 HydrophobicContact CG-CG2 3.79Å; P791-V831 HydrophobicContact CB-CG2 4.1Å |
| 792 | Q | 97.9 | Very high | 98.2 | Very high | 122 Ų | 122 | 30.7 Ų | 30.7 | 57% | 0.57 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -69.9 | -33.4 | -178.4 | -63 | -61.1 | -35.6 | 0 | 0 | 112 | C790 P796 | C790-Q792 VanDerWaalsContact C-N 3.28Å; C790-Q792 PolarHBondContact O-N 3.41Å; Q792-P796 VanDerWaalsContact O-CD 3.22Å; Q792-P796 WeakPolarHBondContact O-CD 3.42Å; Q792-P796 WeakPolarHBondContact O-CG 3.25Å |
| 793 | E | 98 | Very high | 98.1 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -82.1 | -36.4 | -178.3 | -66.2 | 68.8 | -157.6 | 0 | 0 | 111.6 | Q752 I755 C790 P791 | Q752-E793 HydrophobicContact CG-CG 4.02Å; Q752-E793 WeakPolarHBondContact CG-OE1 3.16Å; Q752-E793 PolarHBondContact NE2-OE1 3.29Å; I755-E793 HydrophobicContact CB-CB 4.3Å; I755-E793 HydrophobicContact CG1-CB 4.35Å; I755-E793 HydrophobicContact CG2-CB 3.89Å; C790-E793 HydrophobicContact CB-CB 4.45Å; C790-E793 WeakPolarHBondContact CB-OE2 3.3Å; C790-E793 PolarHBondContact O-N 3.43Å; P791-E793 VanDerWaalsContact C-N 3.32Å |
| 794 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.6 | -39.3 | -173.8 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | I755 L759 I783 L786 C790 P796 M797 F801 M828 | I755-V794 HydrophobicContact CG2-CG2 3.91Å; L759-V794 HydrophobicContact CD1-CG1 3.79Å; L759-V794 HydrophobicContact CD2-CB 4.26Å; L759-V794 HydrophobicContact CD2-CG1 4.04Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; I783-V794 HydrophobicContact CG2-CG1 4.47Å; L786-V794 HydrophobicContact CB-CG2 3.99Å; C790-V794 WeakPolarHBondContact O-CG2 3.26Å; C790-V794 PolarHBondContact O-N 2.82Å; V794-P796 VanDerWaalsContact C-N 3.3Å; V794-P796 VanDerWaalsContact O-N 3.14Å; V794-M797 PolarHBondContact O-N 3Å; V794-F801 HydrophobicContact CG1-CE1 4.39Å; V794-F801 HydrophobicContact CG1-CZ 4.24Å; V794-M828 HydrophobicContact CB-SD 3.65Å; V794-M828 HydrophobicContact CG1-CE 4.35Å; V794-M828 HydrophobicContact CG1-SD 3.33Å; V794-M828 WeakPolarHBondContact CG1-SD 3.05Å |
| 795 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -54.9 | -32.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P791 M797 L798 M828 V831 N832 | P791-A795 WeakPolarHBondContact O-CB 3.18Å; P791-A795 PolarHBondContact O-N 2.83Å; A795-M797 PolarHBondContact O-N 3.36Å; A795-L798 WeakPolarHBondContact O-CB 3.34Å; A795-L798 PolarHBondContact O-N 3.16Å; A795-L798 VanDerWaalsContact O-N 3.07Å; A795-M828 HydrophobicContact CB-CB 3.88Å; A795-M828 HydrophobicContact CB-CG 4.01Å; A795-V831 HydrophobicContact CB-CB 4.01Å; A795-V831 HydrophobicContact CB-CG1 3.96Å; A795-N832 HydrophobicContact CB-CB 3.86Å; A795-N832 PolarHBondContact O-ND2 3.15Å |
| 796 | P | 98 | Very high | 98 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -56.7 | -28.2 | 174 | -28.1 | 37 | 0 | 0 | 0 | 114.6 | Q792 V794 | Q792-P796 VanDerWaalsContact O-CD 3.22Å; Q792-P796 WeakPolarHBondContact O-CD 3.42Å; Q792-P796 WeakPolarHBondContact O-CG 3.25Å; V794-P796 VanDerWaalsContact C-N 3.3Å; V794-P796 VanDerWaalsContact O-N 3.14Å |
| 797 | M | 97.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 11% | 0.108 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -92.4 | -0.3 | 178.7 | -65.1 | -174.2 | 74.8 | 0 | 0 | 113.6 | L759 V763 V794 A795 Q799 Q800 F801 | L759-M797 HydrophobicContact CD2-CG 4.32Å; L759-M797 HydrophobicContact CD2-SD 3.53Å; L759-M797 VanDerWaalsContact CD2-SD 3.53Å; L759-M797 HydrophobicContact CG-SD 3.73Å; V763-M797 HydrophobicContact CB-CE 4.03Å; V763-M797 HydrophobicContact CG1-CE 4.03Å; V763-M797 HydrophobicContact CG2-CE 3.88Å; V794-M797 PolarHBondContact O-N 3Å; A795-M797 PolarHBondContact O-N 3.36Å; M797-Q799 VanDerWaalsContact C-N 3.27Å; M797-Q799 PolarHBondContact O-N 2.98Å; M797-Q799 VanDerWaalsContact O-N 3.1Å; M797-Q800 VanDerWaalsContact O-CB 3.3Å; M797-Q800 WeakPolarHBondContact O-CB 3.26Å; M797-Q800 PolarHBondContact O-N 2.95Å; M797-F801 HydrophobicContact CB-CD1 4.38Å; M797-F801 HydrophobicContact CB-CE1 4.08Å; M797-F801 VanDerWaalsContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CE1 3.23Å |
| 798 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -48.5 | -44.6 | -172.8 | -177.2 | 62.7 | 0 | 0 | 0 | 113.6 | A795 Q800 F801 I802 I825 M828 I829 V836 | A795-L798 WeakPolarHBondContact O-CB 3.34Å; A795-L798 PolarHBondContact O-N 3.16Å; A795-L798 VanDerWaalsContact O-N 3.07Å; L798-Q800 PolarHBondContact O-N 3.1Å; L798-Q800 VanDerWaalsContact O-N 3.16Å; L798-F801 HydrophobicContact CB-CZ 4.48Å; L798-F801 HydrophobicContact CD1-CE2 3.83Å; L798-F801 HydrophobicContact CD1-CZ 3.87Å; L798-F801 PolarHBondContact O-N 3.29Å; L798-I802 HydrophobicContact CD1-CB 4.2Å; L798-I802 HydrophobicContact CD1-CD1 3.99Å; L798-I802 HydrophobicContact CD1-CG1 4.31Å; L798-I802 HydrophobicContact CG-CB 4.44Å; L798-I802 VanDerWaalsContact O-CB 3.26Å; L798-I802 WeakPolarHBondContact O-CB 3.39Å; L798-I802 WeakPolarHBondContact O-CG2 3.33Å; L798-I802 PolarHBondContact O-N 3.02Å; L798-I825 HydrophobicContact CD1-CD1 4.19Å; L798-M828 HydrophobicContact CD1-CB 4.44Å; L798-M828 HydrophobicContact CD1-CE 4.36Å; L798-M828 HydrophobicContact CD2-CB 4.46Å; L798-I829 HydrophobicContact CD2-CG1 3.87Å; L798-V836 HydrophobicContact CD2-CB 4.4Å |
| 799 | Q | 97.8 | Very high | 97.6 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.8 | -25.6 | 179.8 | -169.3 | 179.1 | 12.2 | 0 | 0 | 113.7 | M797 G835 | M797-Q799 VanDerWaalsContact C-N 3.27Å; M797-Q799 PolarHBondContact O-N 2.98Å; M797-Q799 VanDerWaalsContact O-N 3.1Å; Q799-G835 WeakPolarHBondContact CA-O 3.28Å; Q799-G835 WeakPolarHBondContact CB-O 3.17Å; Q799-G835 PolarHBondContact N-O 2.69Å |
| 800 | Q | 97.7 | Very high | 97.3 | Very high | 106 Ų | 106 | 41 Ų | 41 | 50% | 0.495 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -79.7 | -20.5 | -174.8 | -56.7 | -179.9 | 33 | 0 | 0 | 113 | V763 N767 M797 L798 | V763-Q800 HydrophobicContact CG1-CB 3.9Å; N767-Q800 PolarHBondContact ND2-O 2.82Å; N767-Q800 PolarHBondContact OD1-O 2.74Å; M797-Q800 VanDerWaalsContact O-CB 3.3Å; M797-Q800 WeakPolarHBondContact O-CB 3.26Å; M797-Q800 PolarHBondContact O-N 2.95Å; L798-Q800 PolarHBondContact O-N 3.1Å; L798-Q800 VanDerWaalsContact O-N 3.16Å |
| 801 | F | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -130.5 | -11 | -174.7 | 63.5 | -102.7 | 0 | 0 | 0 | 114.4 | V763 I766 I783 V794 M797 L798 R803 P804 W805 I825 M828 | V763-F801 HydrophobicContact CG2-CB 4.33Å; V763-F801 HydrophobicContact CG2-CD1 3.66Å; V763-F801 HydrophobicContact CG2-CE1 4.4Å; V763-F801 HydrophobicContact CG2-CG 4.35Å; I766-F801 HydrophobicContact CG2-CB 3.79Å; I783-F801 HydrophobicContact CD1-CG 4.43Å; I783-F801 HydrophobicContact CG2-CD1 4.31Å; I783-F801 HydrophobicContact CG2-CD2 3.76Å; I783-F801 HydrophobicContact CG2-CE1 3.93Å; I783-F801 HydrophobicContact CG2-CE2 3.37Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.45Å; I783-F801 VanDerWaalsContact CG2-CZ 3.45Å; V794-F801 HydrophobicContact CG1-CE1 4.39Å; V794-F801 HydrophobicContact CG1-CZ 4.24Å; M797-F801 HydrophobicContact CB-CD1 4.38Å; M797-F801 HydrophobicContact CB-CE1 4.08Å; M797-F801 VanDerWaalsContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CE1 3.23Å; L798-F801 HydrophobicContact CB-CZ 4.48Å; L798-F801 HydrophobicContact CD1-CE2 3.83Å; L798-F801 HydrophobicContact CD1-CZ 3.87Å; L798-F801 PolarHBondContact O-N 3.29Å; F801-R803 VanDerWaalsContact C-N 3.31Å; F801-R803 PolarHBondContact O-N 2.86Å; F801-P804 WeakPolarHBondContact O-CD 3.49Å; F801-P804 VanDerWaalsContact O-CG 3.29Å; F801-P804 WeakPolarHBondContact O-CG 3.4Å; F801-W805 HydrophobicContact CD2-CB 4.15Å; F801-W805 HydrophobicContact CD2-CG 4.4Å; F801-W805 WeakPolarHBondContact O-CB 3.35Å; F801-W805 PolarHBondContact O-N 2.9Å; F801-I825 HydrophobicContact CE2-CD1 3.95Å; F801-M828 HydrophobicContact CE2-CE 4.2Å; F801-M828 HydrophobicContact CZ-CE 3.97Å; F801-M828 HydrophobicContact CZ-SD 4.08Å |
| 802 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -37.4 | -170.1 | -170.8 | 54.3 | 0 | 0 | 0 | 113.6 | L798 W805 C806 I825 V836 D839 | L798-I802 HydrophobicContact CD1-CB 4.2Å; L798-I802 HydrophobicContact CD1-CD1 3.99Å; L798-I802 HydrophobicContact CD1-CG1 4.31Å; L798-I802 HydrophobicContact CG-CB 4.44Å; L798-I802 VanDerWaalsContact O-CB 3.26Å; L798-I802 WeakPolarHBondContact O-CB 3.39Å; L798-I802 WeakPolarHBondContact O-CG2 3.33Å; L798-I802 PolarHBondContact O-N 3.02Å; I802-W805 HydrophobicContact CD1-CE3 4.38Å; I802-C806 WeakPolarHBondContact O-CB 3.5Å; I802-C806 PolarHBondContact O-N 3.15Å; I802-C806 PolarHBondContact O-SG 3.04Å; I802-I825 HydrophobicContact CD1-CD1 4.05Å; I802-I825 HydrophobicContact CD1-CG2 3.95Å; I802-V836 HydrophobicContact CG1-CG2 3.85Å; I802-D839 HydrophobicContact CG2-CB 3.96Å |
| 803 | R | 97.4 | Very high | 95.9 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.6 | -56.8 | 178.7 | 176.4 | 175.8 | 173.9 | 179.4 | -2.2 | 113.2 | F801 W805 C806 T807 D839 F842 | F801-R803 VanDerWaalsContact C-N 3.31Å; F801-R803 PolarHBondContact O-N 2.86Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.49Å; R803-C806 PolarHBondContact O-N 3.5Å; R803-T807 PolarHBondContact O-N 2.94Å; R803-T807 VanDerWaalsContact O-N 3.16Å; R803-T807 PolarHBondContact O-OG1 2.75Å; R803-D839 HydrophobicContact CB-CB 4.14Å; R803-D839 WeakPolarHBondContact CD-OD1 3.27Å; R803-F842 HydrophobicContact CB-CD2 4.45Å; R803-F842 HydrophobicContact CG-CD1 4.18Å; R803-F842 HydrophobicContact CG-CD2 3.92Å; R803-F842 HydrophobicContact CG-CE1 4.16Å; R803-F842 HydrophobicContact CG-CE2 3.9Å; R803-F842 HydrophobicContact CG-CG 4.07Å; R803-F842 HydrophobicContact CG-CZ 4.04Å; R803-F842 VanDerWaalsContact NE-CZ 3.32Å |
| 804 | P | 97.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 20% | 0.195 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -37 | 177 | 26.3 | -35.4 | 0 | 0 | 0 | 111.2 | I766 F801 C806 T807 S808 | I766-P804 HydrophobicContact CG1-CB 4.05Å; I766-P804 HydrophobicContact CG1-CG 4.17Å; I766-P804 HydrophobicContact CG2-CG 4.3Å; I766-P804 WeakPolarHBondContact O-CB 3.47Å; F801-P804 WeakPolarHBondContact O-CD 3.49Å; F801-P804 VanDerWaalsContact O-CG 3.29Å; F801-P804 WeakPolarHBondContact O-CG 3.4Å; P804-C806 PolarHBondContact O-N 3.1Å; P804-T807 CarbonylContact O-C 3.47Å; P804-T807 WeakPolarHBondContact O-CA 3.45Å; P804-T807 WeakPolarHBondContact O-CB 3.42Å; P804-T807 PolarHBondContact O-N 3.37Å; P804-S808 PolarHBondContact O-N 3.21Å; P804-S808 PolarHBondContact O-OG 3.4Å; P804-S808 VanDerWaalsContact O-OG 3.04Å |
| 805 | W | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.5 | -49.3 | 173.7 | -173.8 | 101.7 | 0 | 0 | 0 | 113.3 | I766 A780 F801 I802 R803 T807 S808 L809 A821 F822 I825 | I766-W805 HydrophobicContact CD1-CB 3.88Å; I766-W805 HydrophobicContact CD1-CG 4.5Å; A780-W805 HydrophobicContact CB-CG 4.04Å; A780-W805 PolarHBondContact O-NE1 3.2Å; F801-W805 HydrophobicContact CD2-CB 4.15Å; F801-W805 HydrophobicContact CD2-CG 4.4Å; F801-W805 WeakPolarHBondContact O-CB 3.35Å; F801-W805 PolarHBondContact O-N 2.9Å; I802-W805 HydrophobicContact CD1-CE3 4.38Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.49Å; W805-T807 VanDerWaalsContact C-N 3.26Å; W805-T807 PolarHBondContact O-N 2.72Å; W805-S808 PolarHBondContact O-N 2.94Å; W805-L809 HydrophobicContact CD2-CD1 4.26Å; W805-L809 HydrophobicContact CH2-CD1 3.62Å; W805-L809 HydrophobicContact CZ2-CD1 3.25Å; W805-L809 HydrophobicContact CZ2-CG 4.37Å; W805-L809 HydrophobicContact CZ3-CD1 4.27Å; W805-L809 PolarHBondContact O-N 3.29Å; W805-L809 VanDerWaalsContact O-N 3.14Å; W805-A821 HydrophobicContact CZ2-CB 3.94Å; W805-F822 HydrophobicContact CH2-CD1 4.01Å; W805-F822 AromaticContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CE1 4.12Å; W805-F822 AromaticContact CH2-CE2 3.69Å; W805-F822 HydrophobicContact CH2-CE2 3.69Å; W805-F822 AromaticContact CH2-CG 3.77Å; W805-F822 HydrophobicContact CH2-CG 3.77Å; W805-F822 AromaticContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CZ2-CD2 4.41Å; W805-F822 HydrophobicContact CZ3-CD1 4.34Å; W805-F822 HydrophobicContact CZ3-CD2 4.37Å; W805-F822 HydrophobicContact CZ3-CE1 4.06Å; W805-F822 HydrophobicContact CZ3-CE2 4.1Å; W805-F822 AromaticContact CZ3-CZ 3.96Å; W805-F822 HydrophobicContact CZ3-CZ 3.96Å; W805-I825 HydrophobicContact CD2-CD1 3.78Å; W805-I825 HydrophobicContact CD2-CG1 3.77Å; W805-I825 VanDerWaalsContact CE2-CG1 3.4Å; W805-I825 HydrophobicContact CE3-CD1 4.17Å; W805-I825 HydrophobicContact CE3-CG1 3.83Å; W805-I825 HydrophobicContact CG-CD1 4.22Å; W805-I825 HydrophobicContact CH2-CB 4.16Å; W805-I825 HydrophobicContact CH2-CD1 4.38Å; W805-I825 HydrophobicContact CH2-CG1 3.31Å; W805-I825 HydrophobicContact CZ2-CB 4.35Å; W805-I825 HydrophobicContact CZ2-CD1 3.94Å; W805-I825 HydrophobicContact CZ2-CG1 3.16Å; W805-I825 HydrophobicContact CZ3-CB 4.46Å; W805-I825 HydrophobicContact CZ3-CD1 4.48Å; W805-I825 HydrophobicContact CZ3-CG1 3.65Å |
| 806 | C | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.1 | -75.5 | 0 | 0 | 0 | 0 | 112 | I802 R803 P804 R810 F842 F843 A846 | I802-C806 WeakPolarHBondContact O-CB 3.5Å; I802-C806 PolarHBondContact O-N 3.15Å; I802-C806 PolarHBondContact O-SG 3.04Å; R803-C806 PolarHBondContact O-N 3.5Å; P804-C806 PolarHBondContact O-N 3.1Å; C806-R810 WeakPolarHBondContact O-CB 3.38Å; C806-R810 WeakPolarHBondContact O-CG 3.17Å; C806-R810 PolarHBondContact O-N 3.09Å; C806-F842 HydrophobicContact CB-CB 3.81Å; C806-F842 WeakPolarHBondContact CB-O 3.13Å; C806-F843 VanDerWaalsContact SG-CA 3.54Å; C806-A846 HydrophobicContact CB-CB 3.9Å |
| 807 | T | 95.4 | Very high | 94.9 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.7 | -34.3 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | R803 P804 W805 R810 | R803-T807 PolarHBondContact O-N 2.94Å; R803-T807 VanDerWaalsContact O-N 3.16Å; R803-T807 PolarHBondContact O-OG1 2.75Å; P804-T807 CarbonylContact O-C 3.47Å; P804-T807 WeakPolarHBondContact O-CA 3.45Å; P804-T807 WeakPolarHBondContact O-CB 3.42Å; P804-T807 PolarHBondContact O-N 3.37Å; W805-T807 VanDerWaalsContact C-N 3.26Å; W805-T807 PolarHBondContact O-N 2.72Å; T807-R810 VanDerWaalsContact O-CG 3.24Å; T807-R810 WeakPolarHBondContact O-CG 3.5Å |
| 808 | S | 95.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.6 | -47.2 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 112 | P804 W805 | P804-S808 PolarHBondContact O-N 3.21Å; P804-S808 PolarHBondContact O-OG 3.4Å; P804-S808 VanDerWaalsContact O-OG 3.04Å; W805-S808 PolarHBondContact O-N 2.94Å |
| 809 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -90 | -7.9 | -172 | -55.9 | -169.1 | 0 | 0 | 0 | 115.5 | A780 I781 W805 N811 I812 K818 A821 F822 | A780-L809 HydrophobicContact CB-CD1 4.12Å; A780-L809 HydrophobicContact CB-CD2 3.77Å; A780-L809 HydrophobicContact CB-CG 3.76Å; I781-L809 HydrophobicContact CD1-CD2 4.23Å; I781-L809 HydrophobicContact CG1-CD1 4.24Å; I781-L809 HydrophobicContact CG1-CD2 3.86Å; W805-L809 HydrophobicContact CD2-CD1 4.26Å; W805-L809 HydrophobicContact CH2-CD1 3.62Å; W805-L809 HydrophobicContact CZ2-CD1 3.25Å; W805-L809 HydrophobicContact CZ2-CG 4.37Å; W805-L809 HydrophobicContact CZ3-CD1 4.27Å; W805-L809 PolarHBondContact O-N 3.29Å; W805-L809 VanDerWaalsContact O-N 3.14Å; L809-N811 PolarHBondContact O-N 2.91Å; L809-I812 HydrophobicContact CD2-CD1 3.4Å; L809-I812 VanDerWaalsContact CD2-CD1 3.4Å; L809-I812 HydrophobicContact CD2-CG1 4.45Å; L809-I812 PolarHBondContact O-N 3.28Å; L809-K818 WeakPolarHBondContact O-CE 3.17Å; L809-A821 HydrophobicContact CD1-CB 3.87Å; L809-F822 HydrophobicContact CB-CE2 3.89Å; L809-F822 HydrophobicContact CB-CZ 4.46Å; L809-F822 HydrophobicContact CD1-CD2 4.46Å; L809-F822 HydrophobicContact CD1-CE2 4.22Å |
| 810 | R | 92.1 | Very high | 94.7 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.8 | 179.4 | 57.1 | 167.7 | -84.1 | 163.9 | 5.1 | 113.9 | C806 T807 D845 S849 | C806-R810 WeakPolarHBondContact O-CB 3.38Å; C806-R810 WeakPolarHBondContact O-CG 3.17Å; C806-R810 PolarHBondContact O-N 3.09Å; T807-R810 VanDerWaalsContact O-CG 3.24Å; T807-R810 WeakPolarHBondContact O-CG 3.5Å; R810-D845 IonicContact CZ-OD2 2.96Å; R810-D845 VanDerWaalsContact CZ-OD2 3.3Å; R810-D845 IonicContact NE-OD2 3.9Å; R810-D845 IonicContact NH1-OD2 3.09Å; R810-D845 PolarHBondContact NH1-OD2 3.42Å; R810-S849 WeakPolarHBondContact O-CB 3.36Å; R810-S849 PolarHBondContact O-OG 2.98Å |
| 811 | N | 86.5 | Confident | 94.8 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 58% | 0.583 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -0.9 | -174.9 | -63.1 | -22.4 | 0 | 0 | 0 | 112.5 | L809 | L809-N811 PolarHBondContact O-N 2.91Š|
| 812 | I | 88.2 | Confident | 94.8 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -82 | 140.7 | 178.2 | -53.4 | -174 | 0 | 0 | 0 | 109.8 | Q355 E777 I781 L809 K818 | Q355-I812 VanDerWaalsContact OE1-CG2 3.28Å; E777-I812 HydrophobicContact CB-CD1 3.81Å; E777-I812 HydrophobicContact CG-CD1 3.67Å; E777-I812 HydrophobicContact CG-CG1 4.23Å; I781-I812 HydrophobicContact CD1-CD1 4.47Å; L809-I812 HydrophobicContact CD2-CD1 3.4Å; L809-I812 VanDerWaalsContact CD2-CD1 3.4Å; L809-I812 HydrophobicContact CD2-CG1 4.45Å; L809-I812 PolarHBondContact O-N 3.28Å; I812-K818 HydrophobicContact CB-CD 4.4Å; I812-K818 WeakPolarHBondContact O-CE 3.38Å; I812-K818 PolarHBondContact O-NZ 3.44Å |
| 813 | R | 88.9 | Confident | 94.8 | Very high | 135 Ų | 135 | 44.3 Ų | 44.3 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | trans | -60.7 | 159.6 | 171.6 | -65.6 | -179.1 | 179.6 | -175.1 | -0.2 | 111 | E358 E359 N815 K818 | E358-R813 IonicContact OE2-CZ 3.52Å; E358-R813 IonicContact OE2-NH1 3.36Å; E358-R813 PolarHBondContact OE2-NH1 3.38Å; E358-R813 IonicContact OE2-NH2 3.43Å; E358-R813 PolarHBondContact OE2-NH2 3.45Å; E359-R813 IonicContact OE2-NH2 2.65Å; R813-N815 PolarHBondContact O-N 3.25Å; R813-N815 VanDerWaalsContact O-N 3.13Å; R813-K818 WeakPolarHBondContact O-CD 3.31Å | ||
| 814 | D | 92.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -73.8 | 107.2 | -179.1 | -66 | -9.7 | 0 | 0 | 0 | 110.2 | K818 W850 I851 N852 | D814-K818 IonicContact OD1-NZ 3.64Å; D814-K818 PolarHBondContact OD1-NZ 3.11Å; D814-W850 HydrophobicContact CB-CE3 3.97Å; D814-W850 HydrophobicContact CB-CZ3 3.8Å; D814-I851 PolarHBondContact OD2-N 3.01Å; D814-N852 PolarHBondContact OD2-N 2.91Å |
| 815 | N | 92.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | trans | -133.3 | 178.6 | 178.1 | 64 | 13.1 | 0 | 0 | 0 | 112 | Q355 R813 E817 K818 D819 | Q355-N815 PolarHBondContact OE1-ND2 3.4Å; R813-N815 PolarHBondContact O-N 3.25Å; R813-N815 VanDerWaalsContact O-N 3.13Å; N815-E817 VanDerWaalsContact C-N 3.35Å; N815-K818 WeakPolarHBondContact OD1-CB 3.39Å; N815-K818 PolarHBondContact OD1-N 3.23Å; N815-D819 WeakPolarHBondContact O-CB 3.3Å; N815-D819 PolarHBondContact O-N 3.3Å | ||
| 816 | E | 93 | Very high | 94.9 | Very high | 133 Ų | 133 | 36.4 Ų | 36.4 | 62% | 0.621 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -68.9 | -34.6 | -176.8 | -62 | -163.1 | 149.6 | 0 | 0 | 112.4 | D819 S820 | E816-D819 PolarHBondContact O-N 2.98Å; E816-S820 WeakPolarHBondContact O-CB 3.42Å; E816-S820 PolarHBondContact O-N 3.29Å; E816-S820 PolarHBondContact O-OG 2.98Å |
| 817 | E | 94.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -53.9 | 176.3 | -66.6 | 67 | -154.1 | 0 | 0 | 110.1 | K704 I781 N815 D819 S820 A821 | K704-E817 IonicContact NZ-OE1 2.74Å; I781-E817 HydrophobicContact CD1-CB 3.97Å; I781-E817 HydrophobicContact CG1-CB 4.42Å; I781-E817 HydrophobicContact CG2-CB 4.17Å; N815-E817 VanDerWaalsContact C-N 3.35Å; E817-D819 PolarHBondContact O-N 3.18Å; E817-S820 PolarHBondContact O-N 3.35Å; E817-S820 PolarHBondContact O-OG 3.43Å; E817-A821 WeakPolarHBondContact O-CB 3.27Å; E817-A821 PolarHBondContact O-N 3.49Å |
| 818 | K | 95.7 | Very high | 95 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.2 | -167.3 | -170.6 | 176.7 | -176.3 | 0 | 111 | L809 I812 R813 D814 N815 S820 A821 F822 W850 | L809-K818 WeakPolarHBondContact O-CE 3.17Å; I812-K818 HydrophobicContact CB-CD 4.4Å; I812-K818 WeakPolarHBondContact O-CE 3.38Å; I812-K818 PolarHBondContact O-NZ 3.44Å; R813-K818 WeakPolarHBondContact O-CD 3.31Å; D814-K818 IonicContact OD1-NZ 3.64Å; D814-K818 PolarHBondContact OD1-NZ 3.11Å; N815-K818 WeakPolarHBondContact OD1-CB 3.39Å; N815-K818 PolarHBondContact OD1-N 3.23Å; K818-S820 PolarHBondContact O-N 3Å; K818-A821 PolarHBondContact O-N 2.87Å; K818-F822 HydrophobicContact CD-CE2 4.34Å; K818-F822 HydrophobicContact CG-CD2 3.76Å; K818-F822 HydrophobicContact CG-CE2 3.66Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.45Å; K818-F822 PolarHBondContact O-N 3.1Å; K818-W850 HydrophobicContact CB-CH2 4.17Å; K818-W850 HydrophobicContact CB-CZ2 4.2Å; K818-W850 HydrophobicContact CD-CH2 4.02Å; K818-W850 HydrophobicContact CD-CZ2 3.76Å; K818-W850 HydrophobicContact CG-CH2 3.95Å; K818-W850 HydrophobicContact CG-CZ2 3.55Å |
| 819 | D | 97.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 8% | 0.075 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 178.1 | 178.1 | -82.6 | 0 | 0 | 0 | 111.3 | N815 E816 E817 A821 F822 R823 W850 L857 | N815-D819 WeakPolarHBondContact O-CB 3.3Å; N815-D819 PolarHBondContact O-N 3.3Å; E816-D819 PolarHBondContact O-N 2.98Å; E817-D819 PolarHBondContact O-N 3.18Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.66Å; D819-F822 PolarHBondContact O-N 2.63Å; D819-R823 WeakPolarHBondContact O-CG 3.2Å; D819-R823 PolarHBondContact O-N 2.95Å; D819-R823 IonicContact OD1-CZ 3.8Å; D819-R823 IonicContact OD1-NE 2.73Å; D819-R823 PolarHBondContact OD1-NE 3.2Å; D819-R823 IonicContact OD1-NH2 3.33Å; D819-R823 PolarHBondContact OD1-NH2 3.12Å; D819-R823 IonicContact OD2-NE 3.13Å; D819-R823 IonicContact OD2-NH2 2.72Å; D819-R823 PolarHBondContact OD2-NH2 3.47Å; D819-W850 HydrophobicContact CB-CH2 3.95Å; D819-L857 HydrophobicContact CB-CD2 4.44Å; D819-L857 WeakPolarHBondContact OD2-CD2 3.36Å |
| 820 | S | 97.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | R785 E816 E817 K818 R823 G824 | R785-S820 WeakPolarHBondContact CG-OG 3.32Å; R785-S820 PolarHBondContact NE-OG 3.37Å; E816-S820 WeakPolarHBondContact O-CB 3.42Å; E816-S820 PolarHBondContact O-N 3.29Å; E816-S820 PolarHBondContact O-OG 2.98Å; E817-S820 PolarHBondContact O-N 3.35Å; E817-S820 PolarHBondContact O-OG 3.43Å; K818-S820 PolarHBondContact O-N 3Å; S820-R823 PolarHBondContact O-N 3.45Å; S820-G824 PolarHBondContact O-N 2.99Å |
| 821 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I781 W805 L809 E817 K818 D819 G824 I825 | I781-A821 HydrophobicContact CB-CB 4.39Å; I781-A821 HydrophobicContact CG1-CB 4.2Å; W805-A821 HydrophobicContact CZ2-CB 3.94Å; L809-A821 HydrophobicContact CD1-CB 3.87Å; E817-A821 WeakPolarHBondContact O-CB 3.27Å; E817-A821 PolarHBondContact O-N 3.49Å; K818-A821 PolarHBondContact O-N 2.87Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.66Å; A821-G824 WeakPolarHBondContact O-CA 3.27Å; A821-G824 PolarHBondContact O-N 3.25Å; A821-I825 PolarHBondContact O-N 3.08Å; A821-I825 VanDerWaalsContact O-N 3.09Å |
| 822 | F | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -35.9 | 177.5 | -88.3 | -99.9 | 0 | 0 | 0 | 112.5 | W805 L809 K818 D819 G824 I825 C826 A846 V847 W850 L857 F861 | W805-F822 HydrophobicContact CH2-CD1 4.01Å; W805-F822 AromaticContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CE1 4.12Å; W805-F822 AromaticContact CH2-CE2 3.69Å; W805-F822 HydrophobicContact CH2-CE2 3.69Å; W805-F822 AromaticContact CH2-CG 3.77Å; W805-F822 HydrophobicContact CH2-CG 3.77Å; W805-F822 AromaticContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CZ2-CD2 4.41Å; W805-F822 HydrophobicContact CZ3-CD1 4.34Å; W805-F822 HydrophobicContact CZ3-CD2 4.37Å; W805-F822 HydrophobicContact CZ3-CE1 4.06Å; W805-F822 HydrophobicContact CZ3-CE2 4.1Å; W805-F822 AromaticContact CZ3-CZ 3.96Å; W805-F822 HydrophobicContact CZ3-CZ 3.96Å; L809-F822 HydrophobicContact CB-CE2 3.89Å; L809-F822 HydrophobicContact CB-CZ 4.46Å; L809-F822 HydrophobicContact CD1-CD2 4.46Å; L809-F822 HydrophobicContact CD1-CE2 4.22Å; K818-F822 HydrophobicContact CD-CE2 4.34Å; K818-F822 HydrophobicContact CG-CD2 3.76Å; K818-F822 HydrophobicContact CG-CE2 3.66Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.45Å; K818-F822 PolarHBondContact O-N 3.1Å; D819-F822 PolarHBondContact O-N 2.63Å; F822-G824 PolarHBondContact O-N 3.03Å; F822-I825 PolarHBondContact O-N 2.9Å; F822-C826 WeakPolarHBondContact O-CB 3.34Å; F822-C826 PolarHBondContact O-N 2.79Å; F822-C826 PolarHBondContact O-SG 2.82Å; F822-A846 HydrophobicContact CE1-CB 3.97Å; F822-A846 HydrophobicContact CZ-CB 3.86Å; F822-V847 HydrophobicContact CE1-CG2 4.4Å; F822-W850 HydrophobicContact CB-CZ2 4.08Å; F822-W850 AromaticContact CD1-NE1 3.44Å; F822-W850 AromaticContact CD2-CE2 3.94Å; F822-W850 AromaticContact CD2-CZ2 3.66Å; F822-W850 HydrophobicContact CD2-CZ2 3.66Å; F822-W850 AromaticContact CD2-NE1 3.61Å; F822-W850 AromaticContact CE1-CD1 3.99Å; F822-W850 AromaticContact CE1-NE1 3.33Å; F822-W850 VanDerWaalsContact CE1-NE1 3.33Å; F822-W850 HydrophobicContact CE2-CZ2 4.18Å; F822-W850 AromaticContact CE2-NE1 3.5Å; F822-W850 AromaticContact CG-CZ2 3.86Å; F822-W850 HydrophobicContact CG-CZ2 3.86Å; F822-W850 AromaticContact CG-NE1 3.56Å; F822-W850 AromaticContact CZ-NE1 3.34Å; F822-W850 VanDerWaalsContact CZ-NE1 3.34Å; F822-L857 HydrophobicContact CB-CD1 4.2Å; F822-L857 HydrophobicContact CB-CD2 4.36Å; F822-F861 HydrophobicContact CB-CE1 4.12Å; F822-F861 HydrophobicContact CB-CZ 4.01Å; F822-F861 AromaticContact CD1-CE1 3.66Å; F822-F861 HydrophobicContact CD1-CE1 3.66Å; F822-F861 AromaticContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CE1-CZ 4.37Å; F822-F861 HydrophobicContact CG-CE1 4.33Å; F822-F861 HydrophobicContact CG-CZ 4.08Å |
| 823 | R | 98.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.2 | -40 | 170.3 | -72.4 | 174.4 | -171.5 | -81.6 | -10.5 | 111.4 | Y788 D819 S820 C826 T827 D856 L857 M860 | Y788-R823 HydrophobicContact CD2-CB 3.86Å; Y788-R823 HydrophobicContact CE2-CB 3.85Å; Y788-R823 HydrophobicContact CG-CB 4.29Å; D819-R823 WeakPolarHBondContact O-CG 3.2Å; D819-R823 PolarHBondContact O-N 2.95Å; D819-R823 IonicContact OD1-CZ 3.8Å; D819-R823 IonicContact OD1-NE 2.73Å; D819-R823 PolarHBondContact OD1-NE 3.2Å; D819-R823 IonicContact OD1-NH2 3.33Å; D819-R823 PolarHBondContact OD1-NH2 3.12Å; D819-R823 IonicContact OD2-NE 3.13Å; D819-R823 IonicContact OD2-NH2 2.72Å; D819-R823 PolarHBondContact OD2-NH2 3.47Å; S820-R823 PolarHBondContact O-N 3.45Å; R823-C826 PolarHBondContact O-N 3.03Å; R823-T827 WeakPolarHBondContact O-CB 3.17Å; R823-T827 PolarHBondContact O-N 3.06Å; R823-T827 PolarHBondContact O-OG1 3.43Å; R823-D856 IonicContact CZ-OD1 2.71Å; R823-D856 IonicContact CZ-OD2 2.77Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 3.81Å; R823-D856 IonicContact NH1-OD2 3.51Å; R823-D856 PolarHBondContact NH1-OD2 3.11Å; R823-D856 VanDerWaalsContact NH2-CG 3.29Å; R823-D856 IonicContact NH2-OD1 3.71Å; R823-D856 PolarHBondContact NH2-OD1 3Å; R823-D856 IonicContact NH2-OD2 3.57Å; R823-D856 PolarHBondContact NH2-OD2 3.3Å; R823-D856 VanDerWaalsContact NH2-OD2 3.14Å; R823-L857 HydrophobicContact CG-CD1 3.94Å; R823-M860 HydrophobicContact CG-SD 4.22Å |
| 824 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -52.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | G784 S820 A821 F822 C826 T827 M828 | G784-G824 VanDerWaalsContact O-CA 3.24Å; G784-G824 WeakPolarHBondContact O-CA 3.34Å; S820-G824 PolarHBondContact O-N 2.99Å; A821-G824 WeakPolarHBondContact O-CA 3.27Å; A821-G824 PolarHBondContact O-N 3.25Å; F822-G824 PolarHBondContact O-N 3.03Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 3.44Å; G824-T827 PolarHBondContact O-N 3.33Å; G824-M828 WeakPolarHBondContact O-CG 3.32Å; G824-M828 PolarHBondContact O-N 3.35Å |
| 825 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 176 | -66.6 | -58.2 | 0 | 0 | 0 | 111.4 | L798 F801 I802 W805 A821 F822 T827 M828 I829 F843 | L798-I825 HydrophobicContact CD1-CD1 4.19Å; F801-I825 HydrophobicContact CE2-CD1 3.95Å; I802-I825 HydrophobicContact CD1-CD1 4.05Å; I802-I825 HydrophobicContact CD1-CG2 3.95Å; W805-I825 HydrophobicContact CD2-CD1 3.78Å; W805-I825 HydrophobicContact CD2-CG1 3.77Å; W805-I825 VanDerWaalsContact CE2-CG1 3.4Å; W805-I825 HydrophobicContact CE3-CD1 4.17Å; W805-I825 HydrophobicContact CE3-CG1 3.83Å; W805-I825 HydrophobicContact CG-CD1 4.22Å; W805-I825 HydrophobicContact CH2-CB 4.16Å; W805-I825 HydrophobicContact CH2-CD1 4.38Å; W805-I825 HydrophobicContact CH2-CG1 3.31Å; W805-I825 HydrophobicContact CZ2-CB 4.35Å; W805-I825 HydrophobicContact CZ2-CD1 3.94Å; W805-I825 HydrophobicContact CZ2-CG1 3.16Å; W805-I825 HydrophobicContact CZ3-CB 4.46Å; W805-I825 HydrophobicContact CZ3-CD1 4.48Å; W805-I825 HydrophobicContact CZ3-CG1 3.65Å; A821-I825 PolarHBondContact O-N 3.08Å; A821-I825 VanDerWaalsContact O-N 3.09Å; F822-I825 PolarHBondContact O-N 2.9Å; I825-T827 VanDerWaalsContact C-N 3.28Å; I825-T827 PolarHBondContact O-N 2.84Å; I825-M828 HydrophobicContact CD1-CE 3.36Å; I825-M828 HydrophobicContact CG1-CE 4.29Å; I825-M828 PolarHBondContact O-N 2.61Å; I825-I829 HydrophobicContact CG2-CD1 3.62Å; I825-I829 HydrophobicContact CG2-CG1 4.21Å; I825-I829 VanDerWaalsContact O-CG1 3.3Å; I825-I829 WeakPolarHBondContact O-CG1 3.46Å; I825-I829 PolarHBondContact O-N 3.27Å; I825-F843 HydrophobicContact CG2-CD2 3.85Å; I825-F843 HydrophobicContact CG2-CE2 3.62Å |
| 826 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 179.2 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | F822 R823 G824 S830 M860 F861 I864 | F822-C826 WeakPolarHBondContact O-CB 3.34Å; F822-C826 PolarHBondContact O-N 2.79Å; F822-C826 PolarHBondContact O-SG 2.82Å; R823-C826 PolarHBondContact O-N 3.03Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 3.44Å; C826-S830 PolarHBondContact O-N 3.48Å; C826-S830 VanDerWaalsContact O-N 3.16Å; C826-S830 PolarHBondContact O-OG 3.49Å; C826-M860 HydrophobicContact CB-CB 4.02Å; C826-M860 HydrophobicContact CB-CE 3.51Å; C826-M860 HydrophobicContact CB-SD 4.27Å; C826-F861 VanDerWaalsContact SG-CD1 3.56Å; C826-F861 VanDerWaalsContact SG-CE1 3.58Å; C826-I864 HydrophobicContact CB-CD1 3.62Å; C826-I864 VanDerWaalsContact SG-CD1 3.59Å |
| 827 | T | 97.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 25.3 Ų | 25.3 | 21% | 0.209 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.2 | -43.6 | 176.4 | -54 | 0 | 0 | 0 | 0 | 110.8 | P791 R823 G824 I825 S830 V831 | P791-T827 HydrophobicContact CB-CG2 3.67Å; P791-T827 HydrophobicContact CG-CG2 3.79Å; R823-T827 WeakPolarHBondContact O-CB 3.17Å; R823-T827 PolarHBondContact O-N 3.06Å; R823-T827 PolarHBondContact O-OG1 3.43Å; G824-T827 PolarHBondContact O-N 3.33Å; I825-T827 VanDerWaalsContact C-N 3.28Å; I825-T827 PolarHBondContact O-N 2.84Å; T827-S830 WeakPolarHBondContact O-CB 3.37Å; T827-S830 PolarHBondContact O-N 2.87Å; T827-V831 PolarHBondContact O-N 2.89Å |
| 828 | M | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.9 | -72.9 | -169.5 | -75.2 | 0 | 0 | 112.9 | V794 A795 L798 F801 G824 I825 S830 V831 N832 | V794-M828 HydrophobicContact CB-SD 3.65Å; V794-M828 HydrophobicContact CG1-CE 4.35Å; V794-M828 HydrophobicContact CG1-SD 3.33Å; V794-M828 WeakPolarHBondContact CG1-SD 3.05Å; A795-M828 HydrophobicContact CB-CB 3.88Å; A795-M828 HydrophobicContact CB-CG 4.01Å; L798-M828 HydrophobicContact CD1-CB 4.44Å; L798-M828 HydrophobicContact CD1-CE 4.36Å; L798-M828 HydrophobicContact CD2-CB 4.46Å; F801-M828 HydrophobicContact CE2-CE 4.2Å; F801-M828 HydrophobicContact CZ-CE 3.97Å; F801-M828 HydrophobicContact CZ-SD 4.08Å; G824-M828 WeakPolarHBondContact O-CG 3.32Å; G824-M828 PolarHBondContact O-N 3.35Å; I825-M828 HydrophobicContact CD1-CE 3.36Å; I825-M828 HydrophobicContact CG1-CE 4.29Å; I825-M828 PolarHBondContact O-N 2.61Å; M828-S830 PolarHBondContact O-N 3.46Å; M828-V831 PolarHBondContact O-N 3.47Å; M828-N832 PolarHBondContact O-N 2.9Å |
| 829 | I | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 175 | -70.2 | 168.7 | 0 | 0 | 0 | 110.5 | L798 I825 V831 N832 P833 V836 F843 I864 F868 | L798-I829 HydrophobicContact CD2-CG1 3.87Å; I825-I829 HydrophobicContact CG2-CD1 3.62Å; I825-I829 HydrophobicContact CG2-CG1 4.21Å; I825-I829 VanDerWaalsContact O-CG1 3.3Å; I825-I829 WeakPolarHBondContact O-CG1 3.46Å; I825-I829 PolarHBondContact O-N 3.27Å; I829-V831 PolarHBondContact O-N 3.23Å; I829-N832 CarbonylContact O-C 3.21Å; I829-P833 VanDerWaalsContact O-CA 3.25Å; I829-P833 WeakPolarHBondContact O-CA 3.39Å; I829-P833 VanDerWaalsContact O-CD 3.23Å; I829-P833 WeakPolarHBondContact O-CD 3.5Å; I829-P833 VanDerWaalsContact O-CG 3.23Å; I829-P833 WeakPolarHBondContact O-CG 3.26Å; I829-V836 HydrophobicContact CD1-CB 4.44Å; I829-V836 HydrophobicContact CD1-CG1 4.24Å; I829-V836 HydrophobicContact CD1-CG2 4.38Å; I829-V836 HydrophobicContact CG1-CB 4.29Å; I829-V836 HydrophobicContact CG1-CG1 4.05Å; I829-V836 HydrophobicContact CG2-CG1 4.2Å; I829-F843 HydrophobicContact CD1-CD1 4.33Å; I829-F843 HydrophobicContact CD1-CD2 3.84Å; I829-F843 HydrophobicContact CD1-CE1 4.13Å; I829-F843 HydrophobicContact CD1-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CG 4.19Å; I829-F843 HydrophobicContact CD1-CZ 3.76Å; I829-I864 HydrophobicContact CB-CD1 4.17Å; I829-I864 HydrophobicContact CD1-CD1 4.2Å; I829-I864 HydrophobicContact CD1-CG2 4.46Å; I829-I864 HydrophobicContact CG2-CD1 4.14Å; I829-I864 HydrophobicContact CG2-CG1 4.22Å; I829-I864 HydrophobicContact CG2-CG2 3.97Å; I829-F868 HydrophobicContact CG2-CE2 4.02Å |
| 830 | S | 95.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 31.2 Ų | 31.2 | 63% | 0.629 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -66.4 | -26.7 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | C826 T827 M828 | C826-S830 PolarHBondContact O-N 3.48Å; C826-S830 VanDerWaalsContact O-N 3.16Å; C826-S830 PolarHBondContact O-OG 3.49Å; T827-S830 WeakPolarHBondContact O-CB 3.37Å; T827-S830 PolarHBondContact O-N 2.87Å; M828-S830 PolarHBondContact O-N 3.46Å |
| 831 | V | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -88.4 | -42.6 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | P791 A795 T827 M828 I829 | P791-V831 HydrophobicContact CB-CG2 4.1Å; A795-V831 HydrophobicContact CB-CB 4.01Å; A795-V831 HydrophobicContact CB-CG1 3.96Å; T827-V831 PolarHBondContact O-N 2.89Å; M828-V831 PolarHBondContact O-N 3.47Å; I829-V831 PolarHBondContact O-N 3.23Å |
| 832 | N | 97.1 | Very high | 96 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | trans | -128.4 | 75.5 | 178.6 | -177.9 | 12.5 | 0 | 0 | 0 | 111.3 | A795 M828 I829 S834 G835 | A795-N832 HydrophobicContact CB-CB 3.86Å; A795-N832 PolarHBondContact O-ND2 3.15Å; M828-N832 PolarHBondContact O-N 2.9Å; I829-N832 CarbonylContact O-C 3.21Å; N832-S834 PolarHBondContact O-N 3.46Å; N832-S834 PolarHBondContact OD1-OG 2.94Å; N832-G835 PolarHBondContact O-N 3.37Å; N832-G835 PolarHBondContact OD1-N 3.14Å | ||
| 833 | P | 94.5 | Very high | 96 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -60.3 | -30.9 | 178.7 | -21.8 | 30.2 | 0 | 0 | 0 | 112.8 | I829 G835 V836 | I829-P833 VanDerWaalsContact O-CA 3.25Å; I829-P833 WeakPolarHBondContact O-CA 3.39Å; I829-P833 VanDerWaalsContact O-CD 3.23Å; I829-P833 WeakPolarHBondContact O-CD 3.5Å; I829-P833 VanDerWaalsContact O-CG 3.23Å; I829-P833 WeakPolarHBondContact O-CG 3.26Å; P833-G835 PolarHBondContact O-N 3.23Å; P833-V836 PolarHBondContact O-N 3.01Å |
| 834 | S | 94.7 | Very high | 95.9 | Very high | 76 Ų | 76 | 34.3 Ų | 34.3 | 53% | 0.531 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -62.3 | -25.9 | 176.8 | 33.8 | 0 | 0 | 0 | 0 | 113.7 | N832 V836 I837 | N832-S834 PolarHBondContact O-N 3.46Å; N832-S834 PolarHBondContact OD1-OG 2.94Å; S834-V836 PolarHBondContact O-N 3.28Å; S834-I837 PolarHBondContact O-N 3.23Å |
| 835 | G | 94.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -66.5 | -20.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q799 N832 P833 | Q799-G835 WeakPolarHBondContact CA-O 3.28Å; Q799-G835 WeakPolarHBondContact CB-O 3.17Å; Q799-G835 PolarHBondContact N-O 2.69Å; N832-G835 PolarHBondContact O-N 3.37Å; N832-G835 PolarHBondContact OD1-N 3.14Å; P833-G835 PolarHBondContact O-N 3.23Å |
| 836 | V | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -106.2 | -8.5 | -178.5 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | L798 I802 I829 P833 S834 Q838 D839 F840 F843 F868 | L798-V836 HydrophobicContact CD2-CB 4.4Å; I802-V836 HydrophobicContact CG1-CG2 3.85Å; I829-V836 HydrophobicContact CD1-CB 4.44Å; I829-V836 HydrophobicContact CD1-CG1 4.24Å; I829-V836 HydrophobicContact CD1-CG2 4.38Å; I829-V836 HydrophobicContact CG1-CB 4.29Å; I829-V836 HydrophobicContact CG1-CG1 4.05Å; I829-V836 HydrophobicContact CG2-CG1 4.2Å; P833-V836 PolarHBondContact O-N 3.01Å; S834-V836 PolarHBondContact O-N 3.28Å; V836-Q838 VanDerWaalsContact C-N 3.33Å; V836-Q838 PolarHBondContact O-N 3.09Å; V836-D839 CarbonylContact O-C 3.38Å; V836-D839 PolarHBondContact O-N 3.25Å; V836-D839 VanDerWaalsContact O-N 3.11Å; V836-F840 HydrophobicContact CG1-CD2 3.91Å; V836-F840 HydrophobicContact CG2-CB 4.45Å; V836-F840 HydrophobicContact CG2-CD2 3.98Å; V836-F840 WeakPolarHBondContact O-CA 3.5Å; V836-F840 WeakPolarHBondContact O-CB 3.31Å; V836-F840 PolarHBondContact O-N 2.89Å; V836-F843 HydrophobicContact CG2-CB 3.93Å; V836-F843 HydrophobicContact CG2-CG 4.42Å; V836-F868 HydrophobicContact CG1-CE1 4.34Å; V836-F868 HydrophobicContact CG1-CE2 3.85Å; V836-F868 HydrophobicContact CG1-CZ 3.41Å; V836-F868 VanDerWaalsContact CG1-CZ 3.41Å |
| 837 | I | 92.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -53.3 | -45.8 | -170.1 | -70 | 175 | 0 | 0 | 0 | 113.1 | S834 D839 F868 | S834-I837 PolarHBondContact O-N 3.23Å; I837-D839 VanDerWaalsContact C-N 3.32Å; I837-D839 PolarHBondContact O-N 3.39Å; I837-F868 HydrophobicContact CG1-CE1 4.01Å; I837-F868 HydrophobicContact CG1-CZ 4.47Å |
| 838 | Q | 91.2 | Very high | 95.4 | Very high | 148 Ų | 148 | 34.8 Ų | 34.8 | 69% | 0.692 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -70 | -30.5 | -174.8 | -68.2 | -176.1 | -7.4 | 0 | 0 | 112.8 | V836 | V836-Q838 VanDerWaalsContact C-N 3.33Å; V836-Q838 PolarHBondContact O-N 3.09Å |
| 839 | D | 94.3 | Very high | 95.3 | Very high | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -117.3 | 19.9 | -173.8 | -64.8 | -69.9 | 0 | 0 | 0 | 112.2 | I802 R803 V836 I837 I841 F842 F843 | I802-D839 HydrophobicContact CG2-CB 3.96Å; R803-D839 HydrophobicContact CB-CB 4.14Å; R803-D839 WeakPolarHBondContact CD-OD1 3.27Å; V836-D839 CarbonylContact O-C 3.38Å; V836-D839 PolarHBondContact O-N 3.25Å; V836-D839 VanDerWaalsContact O-N 3.11Å; I837-D839 VanDerWaalsContact C-N 3.32Å; I837-D839 PolarHBondContact O-N 3.39Å; D839-I841 PolarHBondContact O-N 3.47Å; D839-I841 VanDerWaalsContact O-N 3.1Å; D839-F842 HydrophobicContact CB-CD2 3.94Å; D839-F842 WeakPolarHBondContact O-CB 3.44Å; D839-F842 PolarHBondContact O-N 2.86Å; D839-F843 PolarHBondContact O-N 2.96Å |
| 840 | F | 95 | Very high | 95.2 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -25.8 | -173.5 | -172.8 | -108.4 | 0 | 0 | 0 | 113.2 | V836 F842 F843 C844 I864 L865 F868 W877 F880 | V836-F840 HydrophobicContact CG1-CD2 3.91Å; V836-F840 HydrophobicContact CG2-CB 4.45Å; V836-F840 HydrophobicContact CG2-CD2 3.98Å; V836-F840 WeakPolarHBondContact O-CA 3.5Å; V836-F840 WeakPolarHBondContact O-CB 3.31Å; V836-F840 PolarHBondContact O-N 2.89Å; F840-F842 VanDerWaalsContact C-N 3.32Å; F840-F842 PolarHBondContact O-N 3.2Å; F840-F843 HydrophobicContact CD2-CD1 4.13Å; F840-F843 AromaticContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CE1 4.28Å; F840-F843 HydrophobicContact CZ-CD1 4.42Å; F840-F843 PolarHBondContact O-N 2.91Å; F840-C844 WeakPolarHBondContact CE1-SG 3.45Å; F840-C844 PolarHBondContact O-N 3.46Å; F840-C844 PolarHBondContact O-SG 3.03Å; F840-I864 HydrophobicContact CE2-CG2 4.02Å; F840-I864 HydrophobicContact CZ-CG2 4.48Å; F840-L865 HydrophobicContact CZ-CD2 4.08Å; F840-F868 HydrophobicContact CD1-CD1 4.38Å; F840-F868 HydrophobicContact CD2-CD1 4.17Å; F840-F868 HydrophobicContact CD2-CD2 4.11Å; F840-F868 HydrophobicContact CD2-CE1 4.08Å; F840-F868 HydrophobicContact CD2-CE2 4.03Å; F840-F868 HydrophobicContact CD2-CG 4.19Å; F840-F868 HydrophobicContact CD2-CZ 4.03Å; F840-F868 HydrophobicContact CE1-CB 3.93Å; F840-F868 HydrophobicContact CE1-CD1 4.32Å; F840-F868 HydrophobicContact CE1-CG 4.02Å; F840-F868 HydrophobicContact CE2-CB 4.25Å; F840-F868 HydrophobicContact CE2-CD1 4.08Å; F840-F868 AromaticContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CE1 4.3Å; F840-F868 AromaticContact CE2-CE2 3.65Å; F840-F868 HydrophobicContact CE2-CE2 3.65Å; F840-F868 AromaticContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CZ 4.11Å; F840-F868 HydrophobicContact CG-CD1 4.33Å; F840-F868 HydrophobicContact CG-CE1 4.39Å; F840-F868 HydrophobicContact CZ-CB 3.64Å; F840-F868 HydrophobicContact CZ-CD1 4.16Å; F840-F868 AromaticContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CE2 4.37Å; F840-F868 AromaticContact CZ-CG 3.54Å; F840-F868 HydrophobicContact CZ-CG 3.54Å; F840-W877 HydrophobicContact CE1-CH2 4.1Å; F840-W877 AromaticContact CE1-CZ3 3.86Å; F840-W877 HydrophobicContact CE1-CZ3 3.86Å; F840-F880 HydrophobicContact CB-CZ 4.18Å; F840-F880 AromaticContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CZ 4.02Å; F840-F880 HydrophobicContact CE1-CE1 4.42Å |
| 841 | I | 94.7 | Very high | 95 | Very high | 47 Ų | 47 | 37 Ų | 37 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 172 | -172 | 169.8 | 0 | 0 | 0 | 112.3 | D839 C844 D845 F880 F884 L888 | D839-I841 PolarHBondContact O-N 3.47Å; D839-I841 VanDerWaalsContact O-N 3.1Å; I841-C844 WeakPolarHBondContact O-CB 3.49Å; I841-C844 PolarHBondContact O-N 3.31Å; I841-D845 WeakPolarHBondContact O-CB 3.46Å; I841-D845 PolarHBondContact O-N 3.41Å; I841-F880 HydrophobicContact CB-CZ 4.37Å; I841-F884 HydrophobicContact CB-CD1 4.45Å; I841-F884 HydrophobicContact CB-CE1 3.87Å; I841-F884 HydrophobicContact CD1-CD1 3.46Å; I841-F884 VanDerWaalsContact CD1-CD1 3.46Å; I841-F884 HydrophobicContact CD1-CE1 3.75Å; I841-F884 HydrophobicContact CD1-CG 4.43Å; I841-F884 HydrophobicContact CG1-CD1 3.66Å; I841-F884 HydrophobicContact CG1-CE1 3.53Å; I841-F884 HydrophobicContact CG1-CZ 4.3Å; I841-L888 HydrophobicContact CG1-CD2 4.36Å |
| 842 | F | 95.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.7 | -37.4 | 177.8 | -65.6 | -85.4 | 0 | 0 | 0 | 111.2 | R803 C806 D839 F840 D845 A846 | R803-F842 HydrophobicContact CB-CD2 4.45Å; R803-F842 HydrophobicContact CG-CD1 4.18Å; R803-F842 HydrophobicContact CG-CD2 3.92Å; R803-F842 HydrophobicContact CG-CE1 4.16Å; R803-F842 HydrophobicContact CG-CE2 3.9Å; R803-F842 HydrophobicContact CG-CG 4.07Å; R803-F842 HydrophobicContact CG-CZ 4.04Å; R803-F842 VanDerWaalsContact NE-CZ 3.32Å; C806-F842 HydrophobicContact CB-CB 3.81Å; C806-F842 WeakPolarHBondContact CB-O 3.13Å; D839-F842 HydrophobicContact CB-CD2 3.94Å; D839-F842 WeakPolarHBondContact O-CB 3.44Å; D839-F842 PolarHBondContact O-N 2.86Å; F840-F842 VanDerWaalsContact C-N 3.32Å; F840-F842 PolarHBondContact O-N 3.2Å; F842-D845 PolarHBondContact O-N 2.89Å; F842-A846 WeakPolarHBondContact O-CB 3.48Å; F842-A846 PolarHBondContact O-N 3.16Å |
| 843 | F | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 171.5 | 177.1 | -102.5 | 0 | 0 | 0 | 111.6 | C806 I825 I829 V836 D839 F840 D845 A846 V847 I864 | C806-F843 VanDerWaalsContact SG-CA 3.54Å; I825-F843 HydrophobicContact CG2-CD2 3.85Å; I825-F843 HydrophobicContact CG2-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CD1 4.33Å; I829-F843 HydrophobicContact CD1-CD2 3.84Å; I829-F843 HydrophobicContact CD1-CE1 4.13Å; I829-F843 HydrophobicContact CD1-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CG 4.19Å; I829-F843 HydrophobicContact CD1-CZ 3.76Å; V836-F843 HydrophobicContact CG2-CB 3.93Å; V836-F843 HydrophobicContact CG2-CG 4.42Å; D839-F843 PolarHBondContact O-N 2.96Å; F840-F843 HydrophobicContact CD2-CD1 4.13Å; F840-F843 AromaticContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CE1 4.28Å; F840-F843 HydrophobicContact CZ-CD1 4.42Å; F840-F843 PolarHBondContact O-N 2.91Å; F843-D845 VanDerWaalsContact C-N 3.32Å; F843-D845 PolarHBondContact O-N 3.22Å; F843-A846 PolarHBondContact O-N 3.43Å; F843-V847 HydrophobicContact CD1-CG2 4.23Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 3.79Å; F843-V847 HydrophobicContact CG-CG2 4.47Å; F843-V847 HydrophobicContact CZ-CG2 3.52Å; F843-V847 WeakPolarHBondContact O-CB 3.3Å; F843-V847 VanDerWaalsContact O-CG2 3.32Å; F843-V847 WeakPolarHBondContact O-CG2 3.3Å; F843-V847 PolarHBondContact O-N 2.85Å; F843-I864 HydrophobicContact CD1-CG2 4.4Å; F843-I864 HydrophobicContact CE1-CB 4.33Å; F843-I864 HydrophobicContact CE1-CG2 3.59Å; F843-I864 HydrophobicContact CZ-CD1 4.07Å; F843-I864 HydrophobicContact CZ-CG2 4.17Å |
| 844 | C | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.7 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | F840 I841 V847 A848 F884 L892 | F840-C844 WeakPolarHBondContact CE1-SG 3.45Å; F840-C844 PolarHBondContact O-N 3.46Å; F840-C844 PolarHBondContact O-SG 3.03Å; I841-C844 WeakPolarHBondContact O-CB 3.49Å; I841-C844 PolarHBondContact O-N 3.31Å; C844-V847 PolarHBondContact O-N 3.43Å; C844-A848 VanDerWaalsContact O-CB 3.31Å; C844-A848 WeakPolarHBondContact O-CB 3.34Å; C844-A848 PolarHBondContact O-N 3.29Å; C844-F884 HydrophobicContact CB-CE2 4.27Å; C844-F884 HydrophobicContact CB-CZ 4.3Å; C844-L892 HydrophobicContact CB-CD1 3.9Å |
| 845 | D | 95.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.4 | -169.4 | 52.9 | 0 | 0 | 0 | 112.2 | R810 I841 F842 F843 V847 A848 S849 L888 | R810-D845 IonicContact CZ-OD2 2.96Å; R810-D845 VanDerWaalsContact CZ-OD2 3.3Å; R810-D845 IonicContact NE-OD2 3.9Å; R810-D845 IonicContact NH1-OD2 3.09Å; R810-D845 PolarHBondContact NH1-OD2 3.42Å; I841-D845 WeakPolarHBondContact O-CB 3.46Å; I841-D845 PolarHBondContact O-N 3.41Å; F842-D845 PolarHBondContact O-N 2.89Å; F843-D845 VanDerWaalsContact C-N 3.32Å; F843-D845 PolarHBondContact O-N 3.22Å; D845-V847 PolarHBondContact O-N 3.12Å; D845-A848 PolarHBondContact O-N 3.32Å; D845-S849 PolarHBondContact O-N 3.26Å; D845-L888 HydrophobicContact CB-CD1 4.34Å; D845-L888 HydrophobicContact CB-CD2 4.11Å |
| 846 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C806 F822 F842 F843 A848 S849 | C806-A846 HydrophobicContact CB-CB 3.9Å; F822-A846 HydrophobicContact CE1-CB 3.97Å; F822-A846 HydrophobicContact CZ-CB 3.86Å; F842-A846 WeakPolarHBondContact O-CB 3.48Å; F842-A846 PolarHBondContact O-N 3.16Å; F843-A846 PolarHBondContact O-N 3.43Å; A846-A848 VanDerWaalsContact C-N 3.35Å; A846-S849 WeakPolarHBondContact O-CB 3.49Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 PolarHBondContact O-OG 3.37Å |
| 847 | V | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 174.2 | 165.8 | 0 | 0 | 0 | 0 | 111.9 | F822 F843 C844 D845 S849 F861 L865 Y896 | F822-V847 HydrophobicContact CE1-CG2 4.4Å; F843-V847 HydrophobicContact CD1-CG2 4.23Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 3.79Å; F843-V847 HydrophobicContact CG-CG2 4.47Å; F843-V847 HydrophobicContact CZ-CG2 3.52Å; F843-V847 WeakPolarHBondContact O-CB 3.3Å; F843-V847 VanDerWaalsContact O-CG2 3.32Å; F843-V847 WeakPolarHBondContact O-CG2 3.3Å; F843-V847 PolarHBondContact O-N 2.85Å; C844-V847 PolarHBondContact O-N 3.43Å; D845-V847 PolarHBondContact O-N 3.12Å; V847-S849 VanDerWaalsContact C-N 3.26Å; V847-S849 PolarHBondContact O-N 2.99Å; V847-F861 HydrophobicContact CG1-CB 3.82Å; V847-F861 HydrophobicContact CG1-CD1 4.28Å; V847-F861 HydrophobicContact CG1-CD2 3.85Å; V847-F861 HydrophobicContact CG1-CE2 4.46Å; V847-F861 HydrophobicContact CG1-CG 3.74Å; V847-F861 HydrophobicContact CG2-CD1 3.74Å; V847-F861 HydrophobicContact CG2-CE1 3.95Å; V847-F861 HydrophobicContact CG2-CG 4.07Å; V847-F861 HydrophobicContact CG2-CZ 4.42Å; V847-L865 HydrophobicContact CG1-CD1 4.19Å; V847-Y896 HydrophobicContact CG1-CD2 4.23Å; V847-Y896 HydrophobicContact CG1-CE1 4.22Å; V847-Y896 HydrophobicContact CG1-CE2 3.52Å; V847-Y896 PolarHBondContact O-OH 2.94Å; V847-Y896 VanDerWaalsContact O-OH 3.05Å |
| 848 | A | 95.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -23.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C844 D845 A846 W850 L888 R891 L892 | C844-A848 VanDerWaalsContact O-CB 3.31Å; C844-A848 WeakPolarHBondContact O-CB 3.34Å; C844-A848 PolarHBondContact O-N 3.29Å; D845-A848 PolarHBondContact O-N 3.32Å; A846-A848 VanDerWaalsContact C-N 3.35Å; A848-W850 PolarHBondContact O-N 3.12Å; A848-L888 HydrophobicContact CB-CD1 3.42Å; A848-L888 VanDerWaalsContact CB-CD1 3.42Å; A848-R891 HydrophobicContact CB-CB 4.42Å; A848-R891 HydrophobicContact CB-CG 4.24Å; A848-R891 VanDerWaalsContact O-CD 3.23Å; A848-R891 WeakPolarHBondContact O-CD 3.36Å; A848-R891 PolarHBondContact O-NE 3.46Å; A848-R891 PolarHBondContact O-NH2 2.88Å; A848-R891 VanDerWaalsContact O-NH2 3.12Å; A848-L892 HydrophobicContact CB-CD2 4.15Å; A848-L892 HydrophobicContact CB-CG 4.48Å |
| 849 | S | 94.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -28.1 | 178.8 | 75.7 | 0 | 0 | 0 | 0 | 114.2 | R810 D845 A846 V847 R891 | R810-S849 WeakPolarHBondContact O-CB 3.36Å; R810-S849 PolarHBondContact O-OG 2.98Å; D845-S849 PolarHBondContact O-N 3.26Å; A846-S849 WeakPolarHBondContact O-CB 3.49Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 PolarHBondContact O-OG 3.37Å; V847-S849 VanDerWaalsContact C-N 3.26Å; V847-S849 PolarHBondContact O-N 2.99Å; S849-R891 PolarHBondContact O-NH2 3.39Å; S849-R891 VanDerWaalsContact O-NH2 3.16Å |
| 850 | W | 95.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | trans | -59.3 | 140.7 | -179.6 | -76.6 | 84 | 0 | 0 | 0 | 112.1 | D814 K818 D819 F822 A848 P853 L857 F861 R891 | D814-W850 HydrophobicContact CB-CE3 3.97Å; D814-W850 HydrophobicContact CB-CZ3 3.8Å; K818-W850 HydrophobicContact CB-CH2 4.17Å; K818-W850 HydrophobicContact CB-CZ2 4.2Å; K818-W850 HydrophobicContact CD-CH2 4.02Å; K818-W850 HydrophobicContact CD-CZ2 3.76Å; K818-W850 HydrophobicContact CG-CH2 3.95Å; K818-W850 HydrophobicContact CG-CZ2 3.55Å; D819-W850 HydrophobicContact CB-CH2 3.95Å; F822-W850 HydrophobicContact CB-CZ2 4.08Å; F822-W850 AromaticContact CD1-NE1 3.44Å; F822-W850 AromaticContact CD2-CE2 3.94Å; F822-W850 AromaticContact CD2-CZ2 3.66Å; F822-W850 HydrophobicContact CD2-CZ2 3.66Å; F822-W850 AromaticContact CD2-NE1 3.61Å; F822-W850 AromaticContact CE1-CD1 3.99Å; F822-W850 AromaticContact CE1-NE1 3.33Å; F822-W850 VanDerWaalsContact CE1-NE1 3.33Å; F822-W850 HydrophobicContact CE2-CZ2 4.18Å; F822-W850 AromaticContact CE2-NE1 3.5Å; F822-W850 AromaticContact CG-CZ2 3.86Å; F822-W850 HydrophobicContact CG-CZ2 3.86Å; F822-W850 AromaticContact CG-NE1 3.56Å; F822-W850 AromaticContact CZ-NE1 3.34Å; F822-W850 VanDerWaalsContact CZ-NE1 3.34Å; A848-W850 PolarHBondContact O-N 3.12Å; W850-P853 HydrophobicContact CB-CB 4.35Å; W850-P853 HydrophobicContact CB-CG 4.19Å; W850-P853 HydrophobicContact CD2-CB 4.09Å; W850-P853 HydrophobicContact CE3-CB 3.69Å; W850-P853 HydrophobicContact CG-CB 4.4Å; W850-P853 HydrophobicContact CZ3-CB 4.35Å; W850-L857 HydrophobicContact CH2-CD2 3.78Å; W850-L857 HydrophobicContact CZ2-CD2 3.77Å; W850-L857 HydrophobicContact CZ3-CD2 4.24Å; W850-F861 AromaticContact CD1-CE2 3.87Å; W850-F861 AromaticContact CD1-CZ 4Å; W850-F861 HydrophobicContact CD2-CE2 4.34Å; W850-F861 HydrophobicContact CG-CE2 4.08Å; W850-F861 AromaticContact NE1-CE2 3.99Å; W850-F861 AromaticContact NE1-CZ 3.69Å; W850-R891 PolarHBondContact O-NH2 2.85Å | ||
| 851 | I | 92.5 | Very high | 95.7 | Very high | 107 Ų | 107 | 47.1 Ų | 47.1 | 55% | 0.549 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -101.9 | -53.3 | 177.7 | -56.4 | 177.5 | 0 | 0 | 0 | 109.2 | D814 | D814-I851 PolarHBondContact OD2-N 3.01Š|
| 852 | N | 92.4 | Very high | 95.8 | Very high | 133 Ų | 133 | 46.3 Ų | 46.3 | 71% | 0.711 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -133.4 | 64.2 | -176.4 | -64 | -50.8 | 0 | 0 | 0 | 111.7 | D814 | D814-N852 PolarHBondContact OD2-N 2.91Š|
| 853 | P | 94.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | trans | -64.6 | 144.9 | 175.5 | 28.6 | -32.2 | 0 | 0 | 0 | 110.6 | W850 L857 R858 F861 | W850-P853 HydrophobicContact CB-CB 4.35Å; W850-P853 HydrophobicContact CB-CG 4.19Å; W850-P853 HydrophobicContact CD2-CB 4.09Å; W850-P853 HydrophobicContact CE3-CB 3.69Å; W850-P853 HydrophobicContact CG-CB 4.4Å; W850-P853 HydrophobicContact CZ3-CB 4.35Å; P853-L857 HydrophobicContact CB-CD2 4.46Å; P853-R858 HydrophobicContact CG-CB 4.2Å; P853-R858 HydrophobicContact CG-CG 4.46Å; P853-F861 HydrophobicContact CB-CE2 4.16Å | ||
| 854 | K | 95.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 47% | 0.465 | 26% | 0.259 | S | S | . | . | trans | -56.5 | 145.5 | 171.9 | -66.8 | 178.3 | -176.1 | 166.3 | 0 | 110.1 | D856 L857 R858 | K854-D856 WeakPolarHBondContact CB-OD1 3.45Å; K854-D856 PolarHBondContact O-N 3.04Å; K854-D856 VanDerWaalsContact O-N 3.15Å; K854-L857 WeakPolarHBondContact O-CB 3.44Å; K854-L857 PolarHBondContact O-N 3.06Å; K854-R858 PolarHBondContact O-N 2.83Å | ||
| 855 | D | 95.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -53.6 | -40.5 | -172.6 | -73.3 | -29.8 | 0 | 0 | 0 | 113.2 | R858 D859 | D855-R858 WeakPolarHBondContact O-CB 3.36Å; D855-R858 PolarHBondContact O-N 2.94Å; D855-D859 PolarHBondContact O-N 3.39Å |
| 856 | D | 95.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 179.9 | 64.4 | -24 | 0 | 0 | 0 | 113.1 | R823 K854 D859 M860 | R823-D856 IonicContact CZ-OD1 2.71Å; R823-D856 IonicContact CZ-OD2 2.77Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 3.81Å; R823-D856 IonicContact NH1-OD2 3.51Å; R823-D856 PolarHBondContact NH1-OD2 3.11Å; R823-D856 VanDerWaalsContact NH2-CG 3.29Å; R823-D856 IonicContact NH2-OD1 3.71Å; R823-D856 PolarHBondContact NH2-OD1 3Å; R823-D856 IonicContact NH2-OD2 3.57Å; R823-D856 PolarHBondContact NH2-OD2 3.3Å; R823-D856 VanDerWaalsContact NH2-OD2 3.14Å; K854-D856 WeakPolarHBondContact CB-OD1 3.45Å; K854-D856 PolarHBondContact O-N 3.04Å; K854-D856 VanDerWaalsContact O-N 3.15Å; D856-D859 WeakPolarHBondContact O-CB 3.29Å; D856-D859 PolarHBondContact O-N 3.22Å; D856-M860 WeakPolarHBondContact O-CG 3.3Å; D856-M860 PolarHBondContact O-N 3.34Å; D856-M860 VanDerWaalsContact O-N 3.15Å |
| 857 | L | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69 | -42.7 | 171.6 | 179.1 | 57.8 | 0 | 0 | 0 | 111 | D819 F822 R823 W850 P853 K854 D859 M860 F861 | D819-L857 HydrophobicContact CB-CD2 4.44Å; D819-L857 WeakPolarHBondContact OD2-CD2 3.36Å; F822-L857 HydrophobicContact CB-CD1 4.2Å; F822-L857 HydrophobicContact CB-CD2 4.36Å; R823-L857 HydrophobicContact CG-CD1 3.94Å; W850-L857 HydrophobicContact CH2-CD2 3.78Å; W850-L857 HydrophobicContact CZ2-CD2 3.77Å; W850-L857 HydrophobicContact CZ3-CD2 4.24Å; P853-L857 HydrophobicContact CB-CD2 4.46Å; K854-L857 WeakPolarHBondContact O-CB 3.44Å; K854-L857 PolarHBondContact O-N 3.06Å; L857-D859 PolarHBondContact O-N 3.13Å; L857-M860 HydrophobicContact CD1-SD 4.31Å; L857-M860 WeakPolarHBondContact O-CA 3.3Å; L857-M860 WeakPolarHBondContact O-CB 3.2Å; L857-M860 PolarHBondContact O-N 3.26Å; L857-F861 HydrophobicContact CD1-CD1 4.32Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.26Å; L857-F861 HydrophobicContact CD1-CZ 3.57Å; L857-F861 HydrophobicContact CD2-CE2 4.17Å; L857-F861 HydrophobicContact CD2-CZ 3.83Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 4.04Å; L857-F861 HydrophobicContact CG-CE2 3.75Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.49Å; L857-F861 PolarHBondContact O-N 3.5Å |
| 858 | R | 96.3 | Very high | 95.6 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 173.4 | -172.1 | -174.8 | 177.2 | 179.5 | 0.4 | 111.3 | P853 K854 D855 M860 F861 C862 F895 Y896 | P853-R858 HydrophobicContact CG-CB 4.2Å; P853-R858 HydrophobicContact CG-CG 4.46Å; K854-R858 PolarHBondContact O-N 2.83Å; D855-R858 WeakPolarHBondContact O-CB 3.36Å; D855-R858 PolarHBondContact O-N 2.94Å; R858-M860 VanDerWaalsContact C-N 3.34Å; R858-M860 PolarHBondContact O-N 3.37Å; R858-F861 WeakPolarHBondContact O-CB 3.44Å; R858-F861 PolarHBondContact O-N 2.73Å; R858-C862 PolarHBondContact O-N 3.4Å; R858-C862 PolarHBondContact O-SG 3.08Å; R858-F895 PolarHBondContact NH2-O 2.96Å; R858-Y896 HydrophobicContact CG-CD1 4.45Å; R858-Y896 HydrophobicContact CG-CE1 3.94Å |
| 859 | D | 97 | Very high | 95.5 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 174.6 | -83.1 | -9.5 | 0 | 0 | 0 | 112.7 | D855 D856 L857 C862 K863 | D855-D859 PolarHBondContact O-N 3.39Å; D856-D859 WeakPolarHBondContact O-CB 3.29Å; D856-D859 PolarHBondContact O-N 3.22Å; L857-D859 PolarHBondContact O-N 3.13Å; D859-C862 PolarHBondContact O-N 2.77Å; D859-K863 WeakPolarHBondContact O-CB 3.48Å; D859-K863 VanDerWaalsContact O-CG 3.26Å; D859-K863 WeakPolarHBondContact O-CG 3.49Å; D859-K863 PolarHBondContact O-N 2.66Å |
| 860 | M | 97.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -45 | 173.4 | -65.1 | 175.4 | 88.9 | 0 | 0 | 111.2 | R823 C826 D856 L857 R858 K863 I864 | R823-M860 HydrophobicContact CG-SD 4.22Å; C826-M860 HydrophobicContact CB-CB 4.02Å; C826-M860 HydrophobicContact CB-CE 3.51Å; C826-M860 HydrophobicContact CB-SD 4.27Å; D856-M860 WeakPolarHBondContact O-CG 3.3Å; D856-M860 PolarHBondContact O-N 3.34Å; D856-M860 VanDerWaalsContact O-N 3.15Å; L857-M860 HydrophobicContact CD1-SD 4.31Å; L857-M860 WeakPolarHBondContact O-CA 3.3Å; L857-M860 WeakPolarHBondContact O-CB 3.2Å; L857-M860 PolarHBondContact O-N 3.26Å; R858-M860 VanDerWaalsContact C-N 3.34Å; R858-M860 PolarHBondContact O-N 3.37Å; M860-K863 PolarHBondContact O-N 3.25Å; M860-I864 WeakPolarHBondContact O-CG1 3.06Å; M860-I864 PolarHBondContact O-N 2.92Å; M860-I864 VanDerWaalsContact O-N 3.1Å |
| 861 | F | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 175.4 | -61.2 | -25.7 | 0 | 0 | 0 | 111.6 | F822 C826 V847 W850 P853 L857 R858 K863 I864 L865 Y896 | F822-F861 HydrophobicContact CB-CE1 4.12Å; F822-F861 HydrophobicContact CB-CZ 4.01Å; F822-F861 AromaticContact CD1-CE1 3.66Å; F822-F861 HydrophobicContact CD1-CE1 3.66Å; F822-F861 AromaticContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CE1-CZ 4.37Å; F822-F861 HydrophobicContact CG-CE1 4.33Å; F822-F861 HydrophobicContact CG-CZ 4.08Å; C826-F861 VanDerWaalsContact SG-CD1 3.56Å; C826-F861 VanDerWaalsContact SG-CE1 3.58Å; V847-F861 HydrophobicContact CG1-CB 3.82Å; V847-F861 HydrophobicContact CG1-CD1 4.28Å; V847-F861 HydrophobicContact CG1-CD2 3.85Å; V847-F861 HydrophobicContact CG1-CE2 4.46Å; V847-F861 HydrophobicContact CG1-CG 3.74Å; V847-F861 HydrophobicContact CG2-CD1 3.74Å; V847-F861 HydrophobicContact CG2-CE1 3.95Å; V847-F861 HydrophobicContact CG2-CG 4.07Å; V847-F861 HydrophobicContact CG2-CZ 4.42Å; W850-F861 AromaticContact CD1-CE2 3.87Å; W850-F861 AromaticContact CD1-CZ 4Å; W850-F861 HydrophobicContact CD2-CE2 4.34Å; W850-F861 HydrophobicContact CG-CE2 4.08Å; W850-F861 AromaticContact NE1-CE2 3.99Å; W850-F861 AromaticContact NE1-CZ 3.69Å; P853-F861 HydrophobicContact CB-CE2 4.16Å; L857-F861 HydrophobicContact CD1-CD1 4.32Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.26Å; L857-F861 HydrophobicContact CD1-CZ 3.57Å; L857-F861 HydrophobicContact CD2-CE2 4.17Å; L857-F861 HydrophobicContact CD2-CZ 3.83Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 4.04Å; L857-F861 HydrophobicContact CG-CE2 3.75Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.49Å; L857-F861 PolarHBondContact O-N 3.5Å; R858-F861 WeakPolarHBondContact O-CB 3.44Å; R858-F861 PolarHBondContact O-N 2.73Å; F861-K863 VanDerWaalsContact C-N 3.34Å; F861-K863 PolarHBondContact O-N 2.77Å; F861-I864 PolarHBondContact O-N 2.74Å; F861-L865 WeakPolarHBondContact O-CB 3.36Å; F861-L865 VanDerWaalsContact O-CG 3.31Å; F861-L865 WeakPolarHBondContact O-CG 2.95Å; F861-L865 PolarHBondContact O-N 3.21Å; F861-Y896 HydrophobicContact CB-CD1 4.21Å; F861-Y896 HydrophobicContact CB-CE1 3.73Å; F861-Y896 AromaticContact CD2-CE1 3.95Å; F861-Y896 HydrophobicContact CD2-CE1 3.95Å; F861-Y896 AromaticContact CD2-CZ 3.98Å; F861-Y896 WeakPolarHBondContact CD2-OH 3.19Å; F861-Y896 HydrophobicContact CG-CE1 4.35Å |
| 862 | C | 97 | Very high | 95.1 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.7 | -47.9 | 175.9 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | R858 D859 I864 L865 H866 | R858-C862 PolarHBondContact O-N 3.4Å; R858-C862 PolarHBondContact O-SG 3.08Å; D859-C862 PolarHBondContact O-N 2.77Å; C862-I864 VanDerWaalsContact C-N 3.33Å; C862-I864 PolarHBondContact O-N 2.73Å; C862-L865 PolarHBondContact O-N 3.42Å; C862-H866 WeakPolarHBondContact O-CB 3.44Å; C862-H866 PolarHBondContact O-CD2 2.95Å; C862-H866 VanDerWaalsContact O-CD2 3.27Å; C862-H866 PolarHBondContact O-N 3.03Å |
| 863 | K | 96.7 | Very high | 95 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61 | -41 | -179.3 | -75.8 | 167.3 | -174.3 | 164.5 | 0 | 112.3 | D859 M860 F861 G867 | D859-K863 WeakPolarHBondContact O-CB 3.48Å; D859-K863 VanDerWaalsContact O-CG 3.26Å; D859-K863 WeakPolarHBondContact O-CG 3.49Å; D859-K863 PolarHBondContact O-N 2.66Å; M860-K863 PolarHBondContact O-N 3.25Å; F861-K863 VanDerWaalsContact C-N 3.34Å; F861-K863 PolarHBondContact O-N 2.77Å; K863-G867 WeakPolarHBondContact O-CA 3.28Å; K863-G867 PolarHBondContact O-N 2.86Å |
| 864 | I | 96.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -50.3 | 178.6 | -67.9 | 169.1 | 0 | 0 | 0 | 110.6 | C826 I829 F840 F843 M860 F861 C862 H866 G867 F868 | C826-I864 HydrophobicContact CB-CD1 3.62Å; C826-I864 VanDerWaalsContact SG-CD1 3.59Å; I829-I864 HydrophobicContact CB-CD1 4.17Å; I829-I864 HydrophobicContact CD1-CD1 4.2Å; I829-I864 HydrophobicContact CD1-CG2 4.46Å; I829-I864 HydrophobicContact CG2-CD1 4.14Å; I829-I864 HydrophobicContact CG2-CG1 4.22Å; I829-I864 HydrophobicContact CG2-CG2 3.97Å; F840-I864 HydrophobicContact CE2-CG2 4.02Å; F840-I864 HydrophobicContact CZ-CG2 4.48Å; F843-I864 HydrophobicContact CD1-CG2 4.4Å; F843-I864 HydrophobicContact CE1-CB 4.33Å; F843-I864 HydrophobicContact CE1-CG2 3.59Å; F843-I864 HydrophobicContact CZ-CD1 4.07Å; F843-I864 HydrophobicContact CZ-CG2 4.17Å; M860-I864 WeakPolarHBondContact O-CG1 3.06Å; M860-I864 PolarHBondContact O-N 2.92Å; M860-I864 VanDerWaalsContact O-N 3.1Å; F861-I864 PolarHBondContact O-N 2.74Å; C862-I864 VanDerWaalsContact C-N 3.33Å; C862-I864 PolarHBondContact O-N 2.73Å; I864-H866 PolarHBondContact O-N 2.86Å; I864-G867 PolarHBondContact O-N 2.98Å; I864-F868 HydrophobicContact CG2-CD2 3.93Å; I864-F868 HydrophobicContact CG2-CE2 4.16Å; I864-F868 WeakPolarHBondContact O-CD2 3.27Å; I864-F868 PolarHBondContact O-N 2.77Å |
| 865 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -49.1 | -178.2 | -68.8 | 171.7 | 0 | 0 | 0 | 111.7 | F840 V847 F861 C862 K869 L892 Y896 V898 | F840-L865 HydrophobicContact CZ-CD2 4.08Å; V847-L865 HydrophobicContact CG1-CD1 4.19Å; F861-L865 WeakPolarHBondContact O-CB 3.36Å; F861-L865 VanDerWaalsContact O-CG 3.31Å; F861-L865 WeakPolarHBondContact O-CG 2.95Å; F861-L865 PolarHBondContact O-N 3.21Å; C862-L865 PolarHBondContact O-N 3.42Å; L865-K869 WeakPolarHBondContact O-CB 3.22Å; L865-K869 PolarHBondContact O-N 3.22Å; L865-L892 HydrophobicContact CD1-CD2 4.19Å; L865-Y896 HydrophobicContact CD1-CD1 4.21Å; L865-Y896 HydrophobicContact CD1-CD2 3.87Å; L865-Y896 HydrophobicContact CD1-CG 3.64Å; L865-V898 HydrophobicContact CB-CG1 3.86Å; L865-V898 HydrophobicContact CB-CG2 4.1Å; L865-V898 HydrophobicContact CD1-CG2 4.12Å; L865-V898 HydrophobicContact CG-CG2 4.5Å |
| 866 | H | 96 | Very high | 94.4 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.9 | -34.5 | 176.1 | -77 | -79.8 | 0 | 0 | 0 | 112.2 | C862 I864 K869 N870 Y896 V898 | C862-H866 WeakPolarHBondContact O-CB 3.44Å; C862-H866 PolarHBondContact O-CD2 2.95Å; C862-H866 VanDerWaalsContact O-CD2 3.27Å; C862-H866 PolarHBondContact O-N 3.03Å; I864-H866 PolarHBondContact O-N 2.86Å; H866-K869 PolarHBondContact O-N 3.12Å; H866-N870 VanDerWaalsContact O-CB 3.29Å; H866-N870 WeakPolarHBondContact O-CB 3.22Å; H866-N870 PolarHBondContact O-N 3.01Å; H866-N870 PolarHBondContact O-ND2 3.27Å; H866-N870 VanDerWaalsContact O-ND2 3.12Å; H866-Y896 PolarHBondContact NE2-O 2.91Å; H866-V898 WeakPolarHBondContact NE2-CG1 3.38Å |
| 867 | G | 93.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K863 I864 N870 Q871 | K863-G867 WeakPolarHBondContact O-CA 3.28Å; K863-G867 PolarHBondContact O-N 2.86Å; I864-G867 PolarHBondContact O-N 2.98Å; G867-N870 PolarHBondContact O-N 3.46Å; G867-Q871 WeakPolarHBondContact O-CB 3.35Å; G867-Q871 PolarHBondContact O-N 3.33Å |
| 868 | F | 92.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 69 Ų | 69 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.8 | -94.2 | -90.3 | 0 | 0 | 0 | 112.2 | I829 V836 I837 F840 I864 N870 Q871 V872 | I829-F868 HydrophobicContact CG2-CE2 4.02Å; V836-F868 HydrophobicContact CG1-CE1 4.34Å; V836-F868 HydrophobicContact CG1-CE2 3.85Å; V836-F868 HydrophobicContact CG1-CZ 3.41Å; V836-F868 VanDerWaalsContact CG1-CZ 3.41Å; I837-F868 HydrophobicContact CG1-CE1 4.01Å; I837-F868 HydrophobicContact CG1-CZ 4.47Å; F840-F868 HydrophobicContact CD1-CD1 4.38Å; F840-F868 HydrophobicContact CD2-CD1 4.17Å; F840-F868 HydrophobicContact CD2-CD2 4.11Å; F840-F868 HydrophobicContact CD2-CE1 4.08Å; F840-F868 HydrophobicContact CD2-CE2 4.03Å; F840-F868 HydrophobicContact CD2-CG 4.19Å; F840-F868 HydrophobicContact CD2-CZ 4.03Å; F840-F868 HydrophobicContact CE1-CB 3.93Å; F840-F868 HydrophobicContact CE1-CD1 4.32Å; F840-F868 HydrophobicContact CE1-CG 4.02Å; F840-F868 HydrophobicContact CE2-CB 4.25Å; F840-F868 HydrophobicContact CE2-CD1 4.08Å; F840-F868 AromaticContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CE1 4.3Å; F840-F868 AromaticContact CE2-CE2 3.65Å; F840-F868 HydrophobicContact CE2-CE2 3.65Å; F840-F868 AromaticContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CZ 4.11Å; F840-F868 HydrophobicContact CG-CD1 4.33Å; F840-F868 HydrophobicContact CG-CE1 4.39Å; F840-F868 HydrophobicContact CZ-CB 3.64Å; F840-F868 HydrophobicContact CZ-CD1 4.16Å; F840-F868 AromaticContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CE2 4.37Å; F840-F868 AromaticContact CZ-CG 3.54Å; F840-F868 HydrophobicContact CZ-CG 3.54Å; I864-F868 HydrophobicContact CG2-CD2 3.93Å; I864-F868 HydrophobicContact CG2-CE2 4.16Å; I864-F868 WeakPolarHBondContact O-CD2 3.27Å; I864-F868 PolarHBondContact O-N 2.77Å; F868-N870 VanDerWaalsContact C-N 3.32Å; F868-N870 PolarHBondContact O-N 3.07Å; F868-Q871 PolarHBondContact O-N 2.72Å; F868-Q871 VanDerWaalsContact O-N 3.14Å; F868-V872 WeakPolarHBondContact O-CG2 3.42Å; F868-V872 PolarHBondContact O-N 3.4Å |
| 869 | K | 93.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.6 | -46.1 | 176.3 | 178.5 | 172.3 | -177.2 | 171 | 0 | 112.1 | L865 H866 G873 W877 V898 | L865-K869 WeakPolarHBondContact O-CB 3.22Å; L865-K869 PolarHBondContact O-N 3.22Å; H866-K869 PolarHBondContact O-N 3.12Å; K869-G873 WeakPolarHBondContact O-CA 3.18Å; K869-G873 PolarHBondContact O-N 2.82Å; K869-W877 HydrophobicContact CB-CD2 3.86Å; K869-W877 HydrophobicContact CB-CE3 3.95Å; K869-W877 HydrophobicContact CB-CG 4.18Å; K869-W877 HydrophobicContact CB-CZ3 4.42Å; K869-W877 HydrophobicContact CD-CD2 4.23Å; K869-W877 HydrophobicContact CD-CG 4.08Å; K869-W877 HydrophobicContact CG-CB 4.09Å; K869-W877 HydrophobicContact CG-CD2 3.86Å; K869-W877 HydrophobicContact CG-CE3 4.43Å; K869-W877 HydrophobicContact CG-CG 3.66Å; K869-V898 HydrophobicContact CD-CB 4.33Å; K869-V898 HydrophobicContact CD-CG1 4.21Å; K869-V898 PolarHBondContact NZ-OXT 3.48Å |
| 870 | N | 93.6 | Very high | 93.2 | Very high | 124 Ų | 124 | 70.8 Ų | 70.8 | 66% | 0.663 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 177.8 | -71.2 | -25.7 | 0 | 0 | 0 | 112.5 | H866 G867 F868 | H866-N870 VanDerWaalsContact O-CB 3.29Å; H866-N870 WeakPolarHBondContact O-CB 3.22Å; H866-N870 PolarHBondContact O-N 3.01Å; H866-N870 PolarHBondContact O-ND2 3.27Å; H866-N870 VanDerWaalsContact O-ND2 3.12Å; G867-N870 PolarHBondContact O-N 3.46Å; F868-N870 VanDerWaalsContact C-N 3.32Å; F868-N870 PolarHBondContact O-N 3.07Å |
| 871 | Q | 90.4 | Very high | 92.8 | Very high | 143 Ų | 143 | 69.1 Ų | 69.1 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70.9 | -39.5 | -179.2 | -172 | 176.6 | 6.6 | 0 | 0 | 112.7 | G867 F868 | G867-Q871 WeakPolarHBondContact O-CB 3.35Å; G867-Q871 PolarHBondContact O-N 3.33Å; F868-Q871 PolarHBondContact O-N 2.72Å; F868-Q871 VanDerWaalsContact O-N 3.14Å |
| 872 | V | 90.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -83.3 | -24.3 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | F868 N876 W877 | F868-V872 WeakPolarHBondContact O-CG2 3.42Å; F868-V872 PolarHBondContact O-N 3.4Å; V872-N876 HydrophobicContact CB-CB 4.03Å; V872-N876 HydrophobicContact CG2-CB 4.27Å; V872-N876 WeakPolarHBondContact O-CB 3.3Å; V872-N876 PolarHBondContact O-ND2 3.16Å; V872-W877 HydrophobicContact CG2-CB 3.93Å; V872-W877 HydrophobicContact CG2-CE3 4.31Å |
| 873 | G | 91 | Very high | 92 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | trans | 82.4 | 155.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K869 E875 N876 W877 | K869-G873 WeakPolarHBondContact O-CA 3.18Å; K869-G873 PolarHBondContact O-N 2.82Å; G873-E875 VanDerWaalsContact C-N 3.32Å; G873-E875 PolarHBondContact O-N 3.4Å; G873-N876 PolarHBondContact O-N 3.2Å; G873-N876 VanDerWaalsContact O-N 3.15Å; G873-W877 WeakPolarHBondContact O-CB 3.27Å; G873-W877 PolarHBondContact O-N 3.11Å | ||
| 874 | D | 90.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.1 | -39.4 | -170.3 | -73.7 | -37.1 | 0 | 0 | 0 | 114.5 | R878 | D874-R878 WeakPolarHBondContact O-CB 3.29Å; D874-R878 VanDerWaalsContact O-CG 3.3Å; D874-R878 WeakPolarHBondContact O-CG 3.46Å; D874-R878 PolarHBondContact O-N 3.04Å |
| 875 | E | 91.5 | Very high | 91.5 | Very high | 144 Ų | 144 | 76.2 Ų | 76.2 | 67% | 0.673 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.1 | -43.6 | 179.9 | -71 | -169.8 | 171.3 | 0 | 0 | 112.4 | G873 R878 R879 | G873-E875 VanDerWaalsContact C-N 3.32Å; G873-E875 PolarHBondContact O-N 3.4Å; E875-R878 PolarHBondContact O-N 2.79Å; E875-R879 WeakPolarHBondContact O-CG 3.35Å; E875-R879 PolarHBondContact O-N 2.86Å; E875-R879 VanDerWaalsContact O-N 3.13Å |
| 876 | N | 90.9 | Very high | 91.3 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.6 | -36.4 | 178.8 | -66.9 | -40.6 | 0 | 0 | 0 | 111.2 | V872 G873 R878 R879 F880 | V872-N876 HydrophobicContact CB-CB 4.03Å; V872-N876 HydrophobicContact CG2-CB 4.27Å; V872-N876 WeakPolarHBondContact O-CB 3.3Å; V872-N876 PolarHBondContact O-ND2 3.16Å; G873-N876 PolarHBondContact O-N 3.2Å; G873-N876 VanDerWaalsContact O-N 3.15Å; N876-R878 VanDerWaalsContact C-N 3.34Å; N876-R878 PolarHBondContact O-N 3.3Å; N876-R879 PolarHBondContact O-N 3.04Å; N876-F880 WeakPolarHBondContact O-CB 3.24Å; N876-F880 PolarHBondContact O-N 3.39Å |
| 877 | W | 91.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 83 Ų | 83 | 4% | 0.038 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 172.3 | 179.2 | -105.9 | 0 | 0 | 0 | 111 | F840 K869 V872 G873 R879 F880 S881 V898 | F840-W877 HydrophobicContact CE1-CH2 4.1Å; F840-W877 AromaticContact CE1-CZ3 3.86Å; F840-W877 HydrophobicContact CE1-CZ3 3.86Å; K869-W877 HydrophobicContact CB-CD2 3.86Å; K869-W877 HydrophobicContact CB-CE3 3.95Å; K869-W877 HydrophobicContact CB-CG 4.18Å; K869-W877 HydrophobicContact CB-CZ3 4.42Å; K869-W877 HydrophobicContact CD-CD2 4.23Å; K869-W877 HydrophobicContact CD-CG 4.08Å; K869-W877 HydrophobicContact CG-CB 4.09Å; K869-W877 HydrophobicContact CG-CD2 3.86Å; K869-W877 HydrophobicContact CG-CE3 4.43Å; K869-W877 HydrophobicContact CG-CG 3.66Å; V872-W877 HydrophobicContact CG2-CB 3.93Å; V872-W877 HydrophobicContact CG2-CE3 4.31Å; G873-W877 WeakPolarHBondContact O-CB 3.27Å; G873-W877 PolarHBondContact O-N 3.11Å; W877-R879 PolarHBondContact O-N 3.28Å; W877-F880 HydrophobicContact CE3-CD1 4.36Å; W877-F880 HydrophobicContact CZ3-CD1 4.21Å; W877-F880 HydrophobicContact CZ3-CE1 4.49Å; W877-F880 PolarHBondContact O-N 3.43Å; W877-S881 VanDerWaalsContact O-CB 3.32Å; W877-S881 WeakPolarHBondContact O-CB 3.38Å; W877-S881 PolarHBondContact O-N 3.42Å; W877-S881 PolarHBondContact O-OG 2.79Å; W877-V898 HydrophobicContact CZ2-CB 3.8Å; W877-V898 HydrophobicContact CZ2-CG2 4.02Å; W877-V898 PolarHBondContact NE1-OXT 3.03Å |
| 878 | R | 90.3 | Very high | 91.1 | Very high | 170 Ų | 170 | 81.8 Ų | 81.8 | 64% | 0.642 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.4 | -51.9 | 175.4 | -77.5 | 176.7 | -173.9 | 179.9 | 4 | 111.6 | D874 E875 N876 F880 S881 D882 | D874-R878 WeakPolarHBondContact O-CB 3.29Å; D874-R878 VanDerWaalsContact O-CG 3.3Å; D874-R878 WeakPolarHBondContact O-CG 3.46Å; D874-R878 PolarHBondContact O-N 3.04Å; E875-R878 PolarHBondContact O-N 2.79Å; N876-R878 VanDerWaalsContact C-N 3.34Å; N876-R878 PolarHBondContact O-N 3.3Å; R878-F880 PolarHBondContact O-N 3.36Å; R878-S881 WeakPolarHBondContact CA-OG 3.43Å; R878-S881 PolarHBondContact O-N 3.49Å; R878-S881 PolarHBondContact O-OG 3.22Å; R878-D882 WeakPolarHBondContact O-CB 3.34Å; R878-D882 PolarHBondContact O-N 2.91Å |
| 879 | R | 89.7 | Confident | 91.1 | Very high | 170 Ų | 170 | 84.6 Ų | 84.6 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -57.2 | -34.7 | 177.8 | -72.6 | 179 | -177.7 | 175.3 | 4.3 | 113.4 | E875 N876 W877 Q883 | E875-R879 WeakPolarHBondContact O-CG 3.35Å; E875-R879 PolarHBondContact O-N 2.86Å; E875-R879 VanDerWaalsContact O-N 3.13Å; N876-R879 PolarHBondContact O-N 3.04Å; W877-R879 PolarHBondContact O-N 3.28Å; R879-Q883 PolarHBondContact O-NE2 3.47Å |
| 880 | F | 88.9 | Confident | 91.1 | Very high | 55 Ų | 55 | 88.5 Ų | 88.5 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -75.6 | -49 | 176.8 | -179.9 | -107 | 0 | 0 | 0 | 111.5 | F840 I841 N876 W877 R878 D882 Q883 F884 | F840-F880 HydrophobicContact CB-CZ 4.18Å; F840-F880 AromaticContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CZ 4.02Å; F840-F880 HydrophobicContact CE1-CE1 4.42Å; I841-F880 HydrophobicContact CB-CZ 4.37Å; N876-F880 WeakPolarHBondContact O-CB 3.24Å; N876-F880 PolarHBondContact O-N 3.39Å; W877-F880 HydrophobicContact CE3-CD1 4.36Å; W877-F880 HydrophobicContact CZ3-CD1 4.21Å; W877-F880 HydrophobicContact CZ3-CE1 4.49Å; W877-F880 PolarHBondContact O-N 3.43Å; R878-F880 PolarHBondContact O-N 3.36Å; F880-D882 VanDerWaalsContact C-N 3.25Å; F880-D882 PolarHBondContact O-N 3.22Å; F880-Q883 VanDerWaalsContact O-CB 3.32Å; F880-Q883 WeakPolarHBondContact O-CB 3.28Å; F880-Q883 PolarHBondContact O-N 3.26Å; F880-F884 AromaticContact CD1-CE1 3.89Å; F880-F884 HydrophobicContact CD1-CE1 3.89Å; F880-F884 AromaticContact CD1-CZ 3.84Å; F880-F884 HydrophobicContact CD1-CZ 3.84Å; F880-F884 AromaticContact CE1-CE1 3.48Å; F880-F884 HydrophobicContact CE1-CE1 3.48Å; F880-F884 VanDerWaalsContact CE1-CE1 3.48Å; F880-F884 AromaticContact CE1-CZ 3.37Å; F880-F884 HydrophobicContact CE1-CZ 3.37Å; F880-F884 AromaticContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CZ 4.09Å |
| 881 | S | 89.5 | Confident | 91.1 | Very high | 9 Ų | 9 | 86.9 Ų | 86.9 | 6% | 0.063 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.4 | -23.3 | 179.2 | 71.8 | 0 | 0 | 0 | 0 | 114 | W877 R878 Q883 F884 | W877-S881 VanDerWaalsContact O-CB 3.32Å; W877-S881 WeakPolarHBondContact O-CB 3.38Å; W877-S881 PolarHBondContact O-N 3.42Å; W877-S881 PolarHBondContact O-OG 2.79Å; R878-S881 WeakPolarHBondContact CA-OG 3.43Å; R878-S881 PolarHBondContact O-N 3.49Å; R878-S881 PolarHBondContact O-OG 3.22Å; S881-Q883 PolarHBondContact O-N 3.41Å; S881-F884 VanDerWaalsContact O-CB 3.29Å; S881-F884 WeakPolarHBondContact O-CB 3.48Å; S881-F884 PolarHBondContact O-N 3.34Å; S881-F884 VanDerWaalsContact O-N 3.13Å |
| 882 | D | 89.6 | Confident | 91.3 | Very high | 107 Ų | 107 | 80.2 Ų | 80.2 | 57% | 0.572 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.3 | 174 | -73.4 | -18.9 | 0 | 0 | 0 | 112.7 | R878 F880 F884 K889 | R878-D882 WeakPolarHBondContact O-CB 3.34Å; R878-D882 PolarHBondContact O-N 2.91Å; F880-D882 VanDerWaalsContact C-N 3.25Å; F880-D882 PolarHBondContact O-N 3.22Å; D882-F884 VanDerWaalsContact C-N 3.29Å; D882-K889 IonicContact OD1-NZ 3.36Å; D882-K889 PolarHBondContact OD1-NZ 3.27Å |
| 883 | Q | 88.3 | Confident | 91.5 | Very high | 141 Ų | 141 | 80 Ų | 80 | 66% | 0.659 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.5 | 172.1 | -55.1 | 175.9 | 19.6 | 0 | 0 | 112 | R879 F880 S881 | R879-Q883 PolarHBondContact O-NE2 3.47Å; F880-Q883 VanDerWaalsContact O-CB 3.32Å; F880-Q883 WeakPolarHBondContact O-CB 3.28Å; F880-Q883 PolarHBondContact O-N 3.26Å; S881-Q883 PolarHBondContact O-N 3.41Å |
| 884 | F | 91.8 | Very high | 91.6 | Very high | 17 Ų | 17 | 82.4 Ų | 82.4 | 8% | 0.075 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -78.1 | 144.2 | -178 | -66.1 | 1.6 | 0 | 0 | 0 | 110.9 | I841 C844 F880 S881 D882 L886 L888 K889 L892 | I841-F884 HydrophobicContact CB-CD1 4.45Å; I841-F884 HydrophobicContact CB-CE1 3.87Å; I841-F884 HydrophobicContact CD1-CD1 3.46Å; I841-F884 VanDerWaalsContact CD1-CD1 3.46Å; I841-F884 HydrophobicContact CD1-CE1 3.75Å; I841-F884 HydrophobicContact CD1-CG 4.43Å; I841-F884 HydrophobicContact CG1-CD1 3.66Å; I841-F884 HydrophobicContact CG1-CE1 3.53Å; I841-F884 HydrophobicContact CG1-CZ 4.3Å; C844-F884 HydrophobicContact CB-CE2 4.27Å; C844-F884 HydrophobicContact CB-CZ 4.3Å; F880-F884 AromaticContact CD1-CE1 3.89Å; F880-F884 HydrophobicContact CD1-CE1 3.89Å; F880-F884 AromaticContact CD1-CZ 3.84Å; F880-F884 HydrophobicContact CD1-CZ 3.84Å; F880-F884 AromaticContact CE1-CE1 3.48Å; F880-F884 HydrophobicContact CE1-CE1 3.48Å; F880-F884 VanDerWaalsContact CE1-CE1 3.48Å; F880-F884 AromaticContact CE1-CZ 3.37Å; F880-F884 HydrophobicContact CE1-CZ 3.37Å; F880-F884 AromaticContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CZ 4.09Å; S881-F884 VanDerWaalsContact O-CB 3.29Å; S881-F884 WeakPolarHBondContact O-CB 3.48Å; S881-F884 PolarHBondContact O-N 3.34Å; S881-F884 VanDerWaalsContact O-N 3.13Å; D882-F884 VanDerWaalsContact C-N 3.29Å; F884-L886 PolarHBondContact O-N 3.16Å; F884-L888 HydrophobicContact CB-CD2 4.24Å; F884-L888 HydrophobicContact CD2-CD2 4.08Å; F884-L888 HydrophobicContact CD2-CG 4.19Å; F884-L888 HydrophobicContact CG-CD2 4.12Å; F884-K889 HydrophobicContact CB-CB 4.49Å; F884-L892 HydrophobicContact CD2-CD1 3.97Å; F884-L892 HydrophobicContact CE2-CD1 3.69Å |
| 885 | P | 92.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 81.6 Ų | 81.6 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | trans | -53.6 | 140.3 | 164.2 | -23.9 | 34.2 | 0 | 0 | 0 | 110.8 | P887 L888 K889 | P885-P887 VanDerWaalsContact C-CD 3.45Å; P885-P887 VanDerWaalsContact C-N 3.35Å; P885-L888 WeakPolarHBondContact O-CB 3.06Å; P885-L888 PolarHBondContact O-N 2.74Å; P885-K889 PolarHBondContact O-N 2.81Å; P885-K889 VanDerWaalsContact O-N 3.14Å | ||
| 886 | L | 92.1 | Very high | 91.8 | Very high | 115 Ų | 115 | 75.3 Ų | 75.3 | 60% | 0.602 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -52.7 | -44.2 | -177.3 | -176.8 | 66 | 0 | 0 | 0 | 113.4 | F884 L888 K889 E890 | F884-L886 PolarHBondContact O-N 3.16Å; L886-L888 VanDerWaalsContact C-N 3.3Å; L886-L888 PolarHBondContact O-N 2.74Å; L886-K889 PolarHBondContact O-N 3.03Å; L886-E890 HydrophobicContact CD1-CG 4.27Å; L886-E890 HydrophobicContact CG-CG 4.43Å; L886-E890 WeakPolarHBondContact O-CG 3.28Å; L886-E890 PolarHBondContact O-N 2.64Å |
| 887 | P | 91.6 | Very high | 91.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | 178.4 | -24.4 | 35.3 | 0 | 0 | 0 | 113.4 | P885 R891 | P885-P887 VanDerWaalsContact C-CD 3.45Å; P885-P887 VanDerWaalsContact C-N 3.35Å; P887-R891 WeakPolarHBondContact O-CB 3.43Å; P887-R891 PolarHBondContact O-N 2.86Å |
| 888 | L | 94 | Very high | 91.8 | Very high | 9 Ų | 9 | 74.3 Ų | 74.3 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 177.2 | 175.8 | 57.4 | 0 | 0 | 0 | 110.6 | I841 D845 A848 F884 P885 L886 E890 R891 L892 | I841-L888 HydrophobicContact CG1-CD2 4.36Å; D845-L888 HydrophobicContact CB-CD1 4.34Å; D845-L888 HydrophobicContact CB-CD2 4.11Å; A848-L888 HydrophobicContact CB-CD1 3.42Å; A848-L888 VanDerWaalsContact CB-CD1 3.42Å; F884-L888 HydrophobicContact CB-CD2 4.24Å; F884-L888 HydrophobicContact CD2-CD2 4.08Å; F884-L888 HydrophobicContact CD2-CG 4.19Å; F884-L888 HydrophobicContact CG-CD2 4.12Å; P885-L888 WeakPolarHBondContact O-CB 3.06Å; P885-L888 PolarHBondContact O-N 2.74Å; L886-L888 VanDerWaalsContact C-N 3.3Å; L886-L888 PolarHBondContact O-N 2.74Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.31Å; L888-R891 PolarHBondContact O-N 3.34Å; L888-L892 HydrophobicContact CD1-CD1 3.86Å; L888-L892 HydrophobicContact CD1-CD2 4.5Å; L888-L892 HydrophobicContact CD1-CG 3.95Å; L888-L892 HydrophobicContact CG-CD1 3.97Å; L888-L892 HydrophobicContact CG-CG 4.47Å; L888-L892 WeakPolarHBondContact O-CG 3.39Å; L888-L892 PolarHBondContact O-N 3.36Å |
| 889 | K | 92.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 179.3 | -171.4 | 173.6 | -174.9 | 169.4 | 0 | 111.8 | D882 F884 P885 L886 A893 | D882-K889 IonicContact OD1-NZ 3.36Å; D882-K889 PolarHBondContact OD1-NZ 3.27Å; F884-K889 HydrophobicContact CB-CB 4.49Å; P885-K889 PolarHBondContact O-N 2.81Å; P885-K889 VanDerWaalsContact O-N 3.14Å; L886-K889 PolarHBondContact O-N 3.03Å; K889-A893 WeakPolarHBondContact O-CB 3.47Å; K889-A893 PolarHBondContact O-N 3.22Å; K889-A893 VanDerWaalsContact O-N 3.09Å |
| 890 | E | 93.3 | Very high | 92 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 177.9 | -70.8 | 177 | 165.8 | 0 | 0 | 111.8 | L886 L888 A893 A894 | L886-E890 HydrophobicContact CD1-CG 4.27Å; L886-E890 HydrophobicContact CG-CG 4.43Å; L886-E890 WeakPolarHBondContact O-CG 3.28Å; L886-E890 PolarHBondContact O-N 2.64Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.31Å; E890-A893 PolarHBondContact O-N 3.31Å; E890-A894 VanDerWaalsContact O-CB 3.3Å; E890-A894 WeakPolarHBondContact O-CB 3.49Å; E890-A894 PolarHBondContact O-N 3.29Å |
| 891 | R | 93.1 | Very high | 92.2 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 179.8 | -163.8 | 158.2 | -175.9 | -179.5 | -15.1 | 112 | A848 S849 W850 P887 L888 A893 A894 F895 | A848-R891 HydrophobicContact CB-CB 4.42Å; A848-R891 HydrophobicContact CB-CG 4.24Å; A848-R891 VanDerWaalsContact O-CD 3.23Å; A848-R891 WeakPolarHBondContact O-CD 3.36Å; A848-R891 PolarHBondContact O-NE 3.46Å; A848-R891 PolarHBondContact O-NH2 2.88Å; A848-R891 VanDerWaalsContact O-NH2 3.12Å; S849-R891 PolarHBondContact O-NH2 3.39Å; S849-R891 VanDerWaalsContact O-NH2 3.16Å; W850-R891 PolarHBondContact O-NH2 2.85Å; P887-R891 WeakPolarHBondContact O-CB 3.43Å; P887-R891 PolarHBondContact O-N 2.86Å; L888-R891 PolarHBondContact O-N 3.34Å; R891-A893 PolarHBondContact O-N 3.02Å; R891-A894 PolarHBondContact O-N 2.77Å; R891-F895 HydrophobicContact CG-CD2 3.84Å; R891-F895 HydrophobicContact CG-CE2 4.11Å; R891-F895 WeakPolarHBondContact O-CB 3.25Å; R891-F895 WeakPolarHBondContact O-CD2 3.41Å; R891-F895 PolarHBondContact O-N 2.84Å |
| 892 | L | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.2 | -68.2 | 172.1 | 0 | 0 | 0 | 112.4 | C844 A848 L865 F884 L888 Y896 G897 V898 | C844-L892 HydrophobicContact CB-CD1 3.9Å; A848-L892 HydrophobicContact CB-CD2 4.15Å; A848-L892 HydrophobicContact CB-CG 4.48Å; L865-L892 HydrophobicContact CD1-CD2 4.19Å; F884-L892 HydrophobicContact CD2-CD1 3.97Å; F884-L892 HydrophobicContact CE2-CD1 3.69Å; L888-L892 HydrophobicContact CD1-CD1 3.86Å; L888-L892 HydrophobicContact CD1-CD2 4.5Å; L888-L892 HydrophobicContact CD1-CG 3.95Å; L888-L892 HydrophobicContact CG-CD1 3.97Å; L888-L892 HydrophobicContact CG-CG 4.47Å; L888-L892 WeakPolarHBondContact O-CG 3.39Å; L888-L892 PolarHBondContact O-N 3.36Å; L892-Y896 HydrophobicContact CD2-CD2 3.97Å; L892-Y896 HydrophobicContact CD2-CE2 4.4Å; L892-Y896 CarbonylContact O-C 3.52Å; L892-Y896 WeakPolarHBondContact O-CA 3.37Å; L892-Y896 WeakPolarHBondContact O-CB 3.44Å; L892-Y896 PolarHBondContact O-N 2.92Å; L892-G897 PolarHBondContact O-N 3.14Å; L892-V898 HydrophobicContact CB-CG2 4.05Å |
| 893 | A | 93.3 | Very high | 92.5 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K889 E890 R891 G897 | K889-A893 WeakPolarHBondContact O-CB 3.47Å; K889-A893 PolarHBondContact O-N 3.22Å; K889-A893 VanDerWaalsContact O-N 3.09Å; E890-A893 PolarHBondContact O-N 3.31Å; R891-A893 PolarHBondContact O-N 3.02Å; A893-G897 WeakPolarHBondContact O-CA 3.36Å; A893-G897 PolarHBondContact O-N 3.03Å |
| 894 | A | 93 | Very high | 92.8 | Very high | 78 Ų | 78 | 60.5 Ų | 60.5 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.5 | -43 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E890 R891 | E890-A894 VanDerWaalsContact O-CB 3.3Å; E890-A894 WeakPolarHBondContact O-CB 3.49Å; E890-A894 PolarHBondContact O-N 3.29Å; R891-A894 PolarHBondContact O-N 2.77Å |
| 895 | F | 92.4 | Very high | 92.8 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 38% | 0.382 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -93.1 | -31.4 | -172.8 | -77.5 | -95.9 | 0 | 0 | 0 | 114.1 | R858 R891 | R858-F895 PolarHBondContact NH2-O 2.96Å; R891-F895 HydrophobicContact CG-CD2 3.84Å; R891-F895 HydrophobicContact CG-CE2 4.11Å; R891-F895 WeakPolarHBondContact O-CB 3.25Å; R891-F895 WeakPolarHBondContact O-CD2 3.41Å; R891-F895 PolarHBondContact O-N 2.84Å |
| 896 | Y | 94.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 62.5 Ų | 62.5 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -126.2 | -8.9 | -171.6 | -53.8 | -73.6 | 0 | 0 | 0 | 114.2 | V847 R858 F861 L865 H866 L892 V898 | V847-Y896 HydrophobicContact CG1-CD2 4.23Å; V847-Y896 HydrophobicContact CG1-CE1 4.22Å; V847-Y896 HydrophobicContact CG1-CE2 3.52Å; V847-Y896 PolarHBondContact O-OH 2.94Å; V847-Y896 VanDerWaalsContact O-OH 3.05Å; R858-Y896 HydrophobicContact CG-CD1 4.45Å; R858-Y896 HydrophobicContact CG-CE1 3.94Å; F861-Y896 HydrophobicContact CB-CD1 4.21Å; F861-Y896 HydrophobicContact CB-CE1 3.73Å; F861-Y896 AromaticContact CD2-CE1 3.95Å; F861-Y896 HydrophobicContact CD2-CE1 3.95Å; F861-Y896 AromaticContact CD2-CZ 3.98Å; F861-Y896 WeakPolarHBondContact CD2-OH 3.19Å; F861-Y896 HydrophobicContact CG-CE1 4.35Å; L865-Y896 HydrophobicContact CD1-CD1 4.21Å; L865-Y896 HydrophobicContact CD1-CD2 3.87Å; L865-Y896 HydrophobicContact CD1-CG 3.64Å; H866-Y896 PolarHBondContact NE2-O 2.91Å; L892-Y896 HydrophobicContact CD2-CD2 3.97Å; L892-Y896 HydrophobicContact CD2-CE2 4.4Å; L892-Y896 CarbonylContact O-C 3.52Å; L892-Y896 WeakPolarHBondContact O-CA 3.37Å; L892-Y896 WeakPolarHBondContact O-CB 3.44Å; L892-Y896 PolarHBondContact O-N 2.92Å; Y896-V898 PolarHBondContact O-N 2.78Å |
| 897 | G | 92.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | trans | 69.9 | 25.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L892 A893 | L892-G897 PolarHBondContact O-N 3.14Å; A893-G897 WeakPolarHBondContact O-CA 3.36Å; A893-G897 PolarHBondContact O-N 3.03Å | ||
| 898 | V | 90 | Very high | 93.1 | Very high | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | trans | -103.2 | 0 | 179.7 | -71.5 | 0 | 0 | 0 | 0 | 114.6 | L865 H866 K869 W877 L892 Y896 | L865-V898 HydrophobicContact CB-CG1 3.86Å; L865-V898 HydrophobicContact CB-CG2 4.1Å; L865-V898 HydrophobicContact CD1-CG2 4.12Å; L865-V898 HydrophobicContact CG-CG2 4.5Å; H866-V898 WeakPolarHBondContact NE2-CG1 3.38Å; K869-V898 HydrophobicContact CD-CB 4.33Å; K869-V898 HydrophobicContact CD-CG1 4.21Å; K869-V898 PolarHBondContact NZ-OXT 3.48Å; W877-V898 HydrophobicContact CZ2-CB 3.8Å; W877-V898 HydrophobicContact CZ2-CG2 4.02Å; W877-V898 PolarHBondContact NE1-OXT 3.03Å; L892-V898 HydrophobicContact CB-CG2 4.05Å; Y896-V898 PolarHBondContact O-N 2.78Å |
Retrieved 898 of 898 residues in 640.6 ms
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