| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 34.2 | Very low | 235 Ų | 235 | 183.7 Ų | 183.7 | 100% | 1.158 | 85% | 0.847 | S | S | * | * | 0 | 85.8 | 0 | -66.4 | 168.8 | 171.9 | 0 | 0 | 105 | |||||
| 2 | V | 34.8 | Very low | 36.7 | Very low | 124 Ų | 124 | 180.3 Ų | 180.3 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | cis | 43.6 | 126 | 48.4 | -163.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 3 | W | 28.2 | Very low | 40.4 | Very low | 239 Ų | 239 | 169.2 Ų | 169.2 | 91% | 0.905 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 103.1 | -168 | -53.2 | 76.2 | 0 | 0 | 0 | 110.7 | ||||
| 4 | D | 30.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 168.2 Ų | 168.2 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -157.1 | 109.5 | 49 | -154.9 | -3.2 | 0 | 0 | 0 | 110.7 | ||||
| 5 | R | 33.4 | Very low | 46.6 | Very low | 250 Ų | 250 | 159.6 Ų | 159.6 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | trans | -105.5 | 82.3 | 158.5 | -87.3 | -172.4 | -177.3 | -175.7 | 0.4 | 105 | T7 | R5-T7 PolarHBondContact O-N 3.33Š| ||
| 6 | Q | 30.2 | Very low | 49.3 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -64.9 | 103.4 | 160.8 | -93 | -179.8 | -9.4 | 0 | 0 | 107.4 | K8 | Q6-K8 PolarHBondContact O-N 3.13Å; Q6-K8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | T | 31.3 | Very low | 51.4 | Low | 123 Ų | 123 | 155.2 Ų | 155.2 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -40.9 | 113.1 | 154 | 25.1 | 0 | 0 | 0 | 0 | 109.4 | R5 M9 | R5-T7 PolarHBondContact O-N 3.33Å; T7-M9 VanDerWaalsContact C-N 3.28Å; T7-M9 PolarHBondContact O-N 3.11Å | ||
| 8 | K | 35.9 | Very low | 53.3 | Low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.896 | 72% | 0.717 | S | S | * | * | trans | -56 | 98.2 | 154.6 | -87.7 | -175.9 | 171 | -174 | 0 | 106 | Q6 E10 | Q6-K8 PolarHBondContact O-N 3.13Å; Q6-K8 VanDerWaalsContact O-N 3.14Å; K8-E10 PolarHBondContact O-N 3.15Å | ||
| 9 | M | 31.8 | Very low | 55 | Low | 171 Ų | 171 | 146.9 Ų | 146.9 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 107.9 | 162.6 | -81 | 178.7 | 85.5 | 0 | 0 | 105.6 | T7 Y11 | T7-M9 VanDerWaalsContact C-N 3.28Å; T7-M9 PolarHBondContact O-N 3.11Å; M9-Y11 PolarHBondContact O-N 2.88Å; M9-Y11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | E | 40.5 | Very low | 56.7 | Low | 169 Ų | 169 | 140.3 Ų | 140.3 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -58.5 | 110.8 | 164.3 | -77.1 | 175.1 | 160.2 | 0 | 0 | 107.2 | K8 E12 | K8-E10 PolarHBondContact O-N 3.15Å; E10-E12 VanDerWaalsContact C-N 3.26Å; E10-E12 PolarHBondContact O-N 3.19Å | ||
| 11 | Y | 45.8 | Very low | 58.2 | Low | 213 Ų | 213 | 140.3 Ų | 140.3 | 84% | 0.835 | 66% | 0.657 | S | S | * | * | trans | -71.8 | 88.5 | 170.6 | -146 | -89.2 | 0 | 0 | 0 | 106.3 | M9 W13 | M9-Y11 PolarHBondContact O-N 2.88Å; M9-Y11 VanDerWaalsContact O-N 3.08Å; Y11-W13 VanDerWaalsContact C-N 3.29Å; Y11-W13 PolarHBondContact O-N 3.39Å | ||
| 12 | E | 64.3 | Low | 60.7 | Low | 142 Ų | 142 | 135 Ų | 135 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | trans | -71 | 87.7 | 173.9 | -78.7 | -173.9 | 167.8 | 0 | 0 | 109 | E10 K14 | E10-E12 VanDerWaalsContact C-N 3.26Å; E10-E12 PolarHBondContact O-N 3.19Å; E12-K14 PolarHBondContact O-N 3.25Å | ||
| 13 | W | 84.9 | Confident | 63.4 | Low | 37 Ų | 37 | 129.8 Ų | 129.8 | 14% | 0.14 | 60% | 0.597 | C | S | . | * | trans | -58.2 | 136.2 | 168.1 | 179.7 | 90.5 | 0 | 0 | 0 | 109.7 | Y11 P15 D53 N56 Y57 F60 F98 | Y11-W13 VanDerWaalsContact C-N 3.29Å; Y11-W13 PolarHBondContact O-N 3.39Å; W13-P15 HydrophobicContact CH2-CB 3.7Å; W13-P15 HydrophobicContact CH2-CG 4.46Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 4.06Å; W13-P15 HydrophobicContact CZ3-CG 4.33Å; W13-D53 PolarHBondContact NE1-OD1 3.2Å; W13-N56 HydrophobicContact CD2-CB 3.63Å; W13-N56 HydrophobicContact CE3-CB 4.11Å; W13-N56 HydrophobicContact CG-CB 4.11Å; W13-N56 HydrophobicContact CH2-CB 4Å; W13-N56 HydrophobicContact CZ2-CB 3.5Å; W13-N56 HydrophobicContact CZ3-CB 4.28Å; W13-N56 PolarHBondContact NE1-ND2 2.91Å; W13-Y57 AromaticContact CH2-CD1 3.95Å; W13-Y57 HydrophobicContact CH2-CD1 3.95Å; W13-Y57 HydrophobicContact CH2-CD2 4.26Å; W13-Y57 HydrophobicContact CH2-CE1 4.15Å; W13-Y57 HydrophobicContact CH2-CE2 4.44Å; W13-Y57 HydrophobicContact CH2-CG 4Å; W13-Y57 HydrophobicContact CZ2-CD1 4.18Å; W13-Y57 AromaticContact CZ2-CD2 3.74Å; W13-Y57 HydrophobicContact CZ2-CD2 3.74Å; W13-Y57 HydrophobicContact CZ2-CE1 4.15Å; W13-Y57 AromaticContact CZ2-CE2 3.71Å; W13-Y57 HydrophobicContact CZ2-CE2 3.71Å; W13-Y57 AromaticContact CZ2-CG 3.97Å; W13-Y57 HydrophobicContact CZ2-CG 3.97Å; W13-Y57 AromaticContact CZ2-CZ 3.91Å; W13-F60 HydrophobicContact CH2-CB 4.09Å; W13-F60 HydrophobicContact CH2-CG 4.38Å; W13-F60 HydrophobicContact CZ3-CB 3.72Å; W13-F60 AromaticContact CZ3-CD2 3.78Å; W13-F60 HydrophobicContact CZ3-CD2 3.78Å; W13-F60 AromaticContact CZ3-CG 3.87Å; W13-F60 HydrophobicContact CZ3-CG 3.87Å; W13-F98 HydrophobicContact CD2-CE1 4.38Å; W13-F98 AromaticContact CE3-CE1 3.74Å; W13-F98 HydrophobicContact CE3-CE1 3.74Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.19Å; W13-F98 HydrophobicContact CZ3-CZ 4.33Å | ||
| 14 | K | 85.1 | Confident | 66.4 | Low | 155 Ų | 155 | 119.5 Ų | 119.5 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | trans | -130.3 | 137.5 | 175.5 | -68.2 | -168.3 | 179.4 | -178.6 | 0 | 109.8 | E12 | E12-K14 PolarHBondContact O-N 3.25Š| ||
| 15 | P | 88.3 | Confident | 69.3 | Low | 39 Ų | 39 | 118.9 Ų | 118.9 | 25% | 0.253 | 55% | 0.553 | S | S | . | * | trans | -68.4 | 144.3 | 176.3 | 30.2 | -35.1 | 0 | 0 | 0 | 110.3 | W13 L20 Y57 F60 | W13-P15 HydrophobicContact CH2-CB 3.7Å; W13-P15 HydrophobicContact CH2-CG 4.46Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 4.06Å; W13-P15 HydrophobicContact CZ3-CG 4.33Å; P15-L20 HydrophobicContact CB-CD2 4.49Å; P15-Y57 HydrophobicContact CB-CD1 4.24Å; P15-Y57 HydrophobicContact CB-CE1 3.69Å; P15-F60 HydrophobicContact CB-CE1 4.48Å; P15-F60 HydrophobicContact CG-CD1 4.25Å; P15-F60 HydrophobicContact CG-CD2 4.31Å; P15-F60 HydrophobicContact CG-CE1 3.82Å; P15-F60 HydrophobicContact CG-CE2 3.89Å; P15-F60 HydrophobicContact CG-CG 4.49Å; P15-F60 HydrophobicContact CG-CZ 3.64Å | ||
| 16 | D | 89.1 | Confident | 72 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | trans | -83.2 | 135.8 | 160.5 | 174.1 | 77.9 | 0 | 0 | 0 | 109.2 | Q18 G19 L20 Y57 | D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 2.97Å; D16-Q18 WeakPolarHBondContact OD2-CA 3Å; D16-Q18 VanDerWaalsContact OD2-CB 3.23Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.44Å; D16-Q18 PolarHBondContact OD2-N 3.16Å; D16-G19 PolarHBondContact O-N 3.35Å; D16-G19 PolarHBondContact OD2-N 3.23Å; D16-L20 WeakPolarHBondContact O-CB 3.47Å; D16-L20 PolarHBondContact O-N 3.11Å; D16-Y57 WeakPolarHBondContact CB-OH 3.3Å; D16-Y57 PolarHBondContact N-OH 3.47Å | ||
| 17 | E | 85.4 | Confident | 74.9 | Confident | 152 Ų | 152 | 99.7 Ų | 99.7 | 71% | 0.71 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | -177 | -77.9 | -73.8 | 173.2 | 0 | 0 | 112.3 | L20 Q21 | E17-L20 PolarHBondContact O-N 3.36Å; E17-Q21 WeakPolarHBondContact O-CB 3.43Å; E17-Q21 PolarHBondContact O-N 3.44Å |
| 18 | Q | 85.5 | Confident | 77.7 | Confident | 138 Ų | 138 | 98.5 Ų | 98.5 | 65% | 0.645 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.6 | -41.4 | 179.8 | -168.9 | 174.2 | 8.9 | 0 | 0 | 110.8 | D16 Q21 Q22 | D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 2.97Å; D16-Q18 WeakPolarHBondContact OD2-CA 3Å; D16-Q18 VanDerWaalsContact OD2-CB 3.23Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.44Å; D16-Q18 PolarHBondContact OD2-N 3.16Å; Q18-Q21 PolarHBondContact O-N 3.38Å; Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 3.08Å |
| 19 | G | 85.1 | Confident | 80.4 | Confident | 16 Ų | 16 | 90.9 Ų | 90.9 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D16 Q21 Q22 I23 | D16-G19 PolarHBondContact O-N 3.35Å; D16-G19 PolarHBondContact OD2-N 3.23Å; G19-Q21 VanDerWaalsContact C-N 3.34Å; G19-Q21 PolarHBondContact O-N 3.31Å; G19-Q22 WeakPolarHBondContact O-CB 3.5Å; G19-Q22 PolarHBondContact O-N 3.3Å; G19-I23 WeakPolarHBondContact O-CG1 3.42Å; G19-I23 PolarHBondContact O-N 3.08Å |
| 20 | L | 89.1 | Confident | 83.1 | Confident | 14 Ų | 14 | 84.1 Ų | 84.1 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 179.5 | -174.3 | 60.9 | 0 | 0 | 0 | 111.9 | P15 D16 E17 Q22 I23 L24 Y57 F60 V61 L65 | P15-L20 HydrophobicContact CB-CD2 4.49Å; D16-L20 WeakPolarHBondContact O-CB 3.47Å; D16-L20 PolarHBondContact O-N 3.11Å; E17-L20 PolarHBondContact O-N 3.36Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 3.01Å; L20-I23 PolarHBondContact O-N 2.99Å; L20-L24 HydrophobicContact CG-CD1 4.3Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.4Å; L20-Y57 HydrophobicContact CB-CD1 4.33Å; L20-Y57 HydrophobicContact CB-CE1 4.07Å; L20-Y57 HydrophobicContact CD1-CD1 4.05Å; L20-F60 HydrophobicContact CD1-CD1 4.18Å; L20-F60 HydrophobicContact CD1-CE1 4.47Å; L20-F60 HydrophobicContact CD2-CE1 4.16Å; L20-V61 HydrophobicContact CD1-CG2 3.87Å; L20-L65 HydrophobicContact CD1-CD1 3.71Å; L20-L65 HydrophobicContact CD2-CD1 3.7Å; L20-L65 HydrophobicContact CG-CD1 3.99Å |
| 21 | Q | 89 | Confident | 85.3 | Confident | 141 Ų | 141 | 80 Ų | 80 | 66% | 0.659 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 177.4 | -167.3 | 170.9 | 15.4 | 0 | 0 | 112.3 | E17 Q18 G19 Q25 | E17-Q21 WeakPolarHBondContact O-CB 3.43Å; E17-Q21 PolarHBondContact O-N 3.44Å; Q18-Q21 PolarHBondContact O-N 3.38Å; G19-Q21 VanDerWaalsContact C-N 3.34Å; G19-Q21 PolarHBondContact O-N 3.31Å; Q21-Q25 WeakPolarHBondContact O-CB 3.24Å; Q21-Q25 PolarHBondContact O-N 2.9Å |
| 22 | Q | 87.7 | Confident | 87.5 | Confident | 123 Ų | 123 | 71 Ų | 71 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 175 | -72.1 | -178.8 | 0.6 | 0 | 0 | 112.2 | Q18 G19 L20 Q25 L26 | Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 3.08Å; G19-Q22 WeakPolarHBondContact O-CB 3.5Å; G19-Q22 PolarHBondContact O-N 3.3Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 3.01Å; Q22-Q25 PolarHBondContact O-N 3.16Å; Q22-L26 PolarHBondContact O-N 3.48Å |
| 23 | I | 90.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.3 | -61.1 | -38.3 | 0 | 0 | 0 | 111 | G19 L20 Q25 L26 L27 L48 F54 Y57 | G19-I23 WeakPolarHBondContact O-CG1 3.42Å; G19-I23 PolarHBondContact O-N 3.08Å; L20-I23 PolarHBondContact O-N 2.99Å; I23-Q25 VanDerWaalsContact C-N 3.33Å; I23-Q25 PolarHBondContact O-N 3.09Å; I23-L26 WeakPolarHBondContact O-CB 3.46Å; I23-L26 PolarHBondContact O-N 3.16Å; I23-L27 HydrophobicContact CG2-CD1 4.02Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CG 3.23Å; I23-L27 PolarHBondContact O-N 3.28Å; I23-L48 HydrophobicContact CD1-CD1 4.26Å; I23-F54 HydrophobicContact CD1-CD2 3.69Å; I23-F54 HydrophobicContact CD1-CE2 3.54Å; I23-F54 HydrophobicContact CG1-CD2 4.31Å; I23-F54 HydrophobicContact CG1-CE2 4.21Å; I23-F54 HydrophobicContact CG2-CE2 4.26Å; I23-Y57 HydrophobicContact CG1-CD1 4.36Å; I23-Y57 HydrophobicContact CG1-CG 4.13Å |
| 24 | L | 91.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.9 | -70.9 | 175.7 | 0 | 0 | 0 | 112.2 | L20 L26 L27 K28 V61 L65 E68 | L20-L24 HydrophobicContact CG-CD1 4.3Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.4Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 2.83Å; L24-K28 WeakPolarHBondContact O-CG 3.28Å; L24-K28 PolarHBondContact O-N 3.14Å; L24-V61 HydrophobicContact CD2-CG1 4.21Å; L24-V61 HydrophobicContact CD2-CG2 4.19Å; L24-L65 HydrophobicContact CD1-CD1 4.23Å; L24-L65 HydrophobicContact CD2-CD1 4.46Å; L24-E68 HydrophobicContact CD1-CG 4.43Å; L24-E68 HydrophobicContact CD2-CG 3.83Å |
| 25 | Q | 90.8 | Very high | 88.9 | Confident | 113 Ų | 113 | 68.9 Ų | 68.9 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174 | -178 | 176.4 | -11.6 | 0 | 0 | 111.2 | Q21 Q22 I23 L27 K28 E29 | Q21-Q25 WeakPolarHBondContact O-CB 3.24Å; Q21-Q25 PolarHBondContact O-N 2.9Å; Q22-Q25 PolarHBondContact O-N 3.16Å; I23-Q25 VanDerWaalsContact C-N 3.33Å; I23-Q25 PolarHBondContact O-N 3.09Å; Q25-L27 PolarHBondContact O-N 3.47Å; Q25-K28 PolarHBondContact O-N 3.01Å; Q25-E29 HydrophobicContact CG-CG 4.47Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.44Å; Q25-E29 PolarHBondContact NE2-OE1 2.78Å; Q25-E29 WeakPolarHBondContact O-CG 3.31Å; Q25-E29 PolarHBondContact O-N 3.4Å |
| 26 | L | 91.5 | Very high | 89 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 178.4 | -173.6 | 68.7 | 0 | 0 | 0 | 112.3 | Q22 I23 L24 E29 S30 V41 K44 L45 L48 | Q22-L26 PolarHBondContact O-N 3.48Å; I23-L26 WeakPolarHBondContact O-CB 3.46Å; I23-L26 PolarHBondContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-E29 PolarHBondContact O-N 2.9Å; L26-S30 PolarHBondContact O-N 3.08Å; L26-V41 HydrophobicContact CD1-CB 4.32Å; L26-V41 HydrophobicContact CD1-CG1 3.83Å; L26-V41 HydrophobicContact CD1-CG2 4.19Å; L26-V41 HydrophobicContact CG-CG1 4.27Å; L26-K44 HydrophobicContact CD1-CB 3.83Å; L26-K44 HydrophobicContact CD1-CD 3.71Å; L26-K44 HydrophobicContact CD1-CG 4.47Å; L26-L45 HydrophobicContact CD2-CD2 3.52Å; L26-L45 HydrophobicContact CD2-CG 4.01Å; L26-L45 HydrophobicContact CG-CD2 4.24Å; L26-L45 HydrophobicContact CG-CG 4.46Å; L26-L48 HydrophobicContact CD2-CD1 3.48Å; L26-L48 VanDerWaalsContact CD2-CD1 3.48Å |
| 27 | L | 91.2 | Very high | 89 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.2 | -70.2 | 169.6 | 0 | 0 | 0 | 111.4 | I23 L24 Q25 S30 Q31 V61 T72 L75 I79 | I23-L27 HydrophobicContact CG2-CD1 4.02Å; I23-L27 HydrophobicContact CG2-CG 4.36Å; I23-L27 WeakPolarHBondContact O-CG 3.23Å; I23-L27 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 2.83Å; Q25-L27 PolarHBondContact O-N 3.47Å; L27-S30 WeakPolarHBondContact O-CB 3.45Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-OG 2.9Å; L27-Q31 PolarHBondContact O-N 3.08Å; L27-V61 HydrophobicContact CD1-CG1 3.94Å; L27-T72 HydrophobicContact CB-CG2 4.01Å; L27-T72 HydrophobicContact CD1-CG2 4.2Å; L27-L75 HydrophobicContact CD2-CG 4.44Å; L27-I79 HydrophobicContact CD2-CD1 3.66Å |
| 28 | K | 90.2 | Very high | 88.9 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175 | -73.8 | 175.4 | 179.5 | 166.4 | 0 | 112.1 | L24 Q25 S30 Q31 E68 | L24-K28 WeakPolarHBondContact O-CG 3.28Å; L24-K28 PolarHBondContact O-N 3.14Å; Q25-K28 PolarHBondContact O-N 3.01Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.47Å; K28-Q31 PolarHBondContact O-N 3.42Å; K28-E68 WeakPolarHBondContact CE-OE2 3.49Å; K28-E68 IonicContact NZ-OE1 2.67Å; K28-E68 PolarHBondContact NZ-OE1 2.96Å; K28-E68 IonicContact NZ-OE2 3.46Å; K28-E68 PolarHBondContact NZ-OE2 3.09Å |
| 29 | E | 90.7 | Very high | 88.9 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | 173.3 | -72.7 | 174.4 | -166.6 | 0 | 0 | 111.4 | Q25 L26 Q31 S32 I37 V41 K44 | Q25-E29 HydrophobicContact CG-CG 4.47Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.44Å; Q25-E29 PolarHBondContact NE2-OE1 2.78Å; Q25-E29 WeakPolarHBondContact O-CG 3.31Å; Q25-E29 PolarHBondContact O-N 3.4Å; L26-E29 PolarHBondContact O-N 2.9Å; E29-Q31 PolarHBondContact O-N 3.24Å; E29-S32 WeakPolarHBondContact O-CB 3.03Å; E29-S32 PolarHBondContact O-N 3.38Å; E29-S32 VanDerWaalsContact O-N 3.07Å; E29-I37 HydrophobicContact CB-CG2 3.96Å; E29-I37 HydrophobicContact CG-CG2 4.44Å; E29-I37 WeakPolarHBondContact O-CG2 3.4Å; E29-V41 HydrophobicContact CB-CG2 3.44Å; E29-V41 VanDerWaalsContact CB-CG2 3.44Å; E29-K44 IonicContact OE2-NZ 3.7Å; E29-K44 PolarHBondContact OE2-NZ 2.73Å; E29-K44 VanDerWaalsContact OE2-NZ 3.12Å |
| 30 | S | 88.4 | Confident | 89.1 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -22.4 | 178.5 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | L26 L27 K28 S32 L75 | L26-S30 PolarHBondContact O-N 3.08Å; L27-S30 WeakPolarHBondContact O-CB 3.45Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-OG 2.9Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.47Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-L75 WeakPolarHBondContact OG-CD2 3.39Å |
| 31 | Q | 88.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.7 | 175.8 | -64.8 | 171 | -17.9 | 0 | 0 | 112.7 | L27 K28 E29 T72 L75 | L27-Q31 PolarHBondContact O-N 3.08Å; K28-Q31 PolarHBondContact O-N 3.42Å; E29-Q31 PolarHBondContact O-N 3.24Å; Q31-T72 PolarHBondContact NE2-OG1 3.18Å; Q31-L75 HydrophobicContact CG-CD2 3.62Å |
| 32 | S | 90.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | trans | -63.2 | 139.1 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | E29 S30 D34 Q38 | E29-S32 WeakPolarHBondContact O-CB 3.03Å; E29-S32 PolarHBondContact O-N 3.38Å; E29-S32 VanDerWaalsContact O-N 3.07Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S32-D34 PolarHBondContact O-N 2.9Å; S32-D34 PolarHBondContact OG-N 3.09Å; S32-Q38 PolarHBondContact O-NE2 3.1Å | ||
| 33 | P | 87 | Confident | 88.8 | Confident | 126 Ų | 126 | 69.4 Ų | 69.4 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.9 | -7.4 | 172 | 31 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 34 | D | 90.6 | Very high | 88.7 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | trans | -82.3 | 117.6 | -179.4 | -172 | -35.7 | 0 | 0 | 0 | 112 | S32 T36 I37 Q38 | S32-D34 PolarHBondContact O-N 2.9Å; S32-D34 PolarHBondContact OG-N 3.09Å; D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 2.88Å; D34-T36 WeakPolarHBondContact OD1-CA 3.33Å; D34-T36 WeakPolarHBondContact OD1-CB 3.41Å; D34-T36 PolarHBondContact OD1-N 3.18Å; D34-T36 PolarHBondContact OD1-OG1 2.85Å; D34-I37 HydrophobicContact CB-CB 4.13Å; D34-I37 HydrophobicContact CB-CD1 3.87Å; D34-I37 HydrophobicContact CB-CG1 4.04Å; D34-I37 PolarHBondContact O-N 3.33Å; D34-I37 PolarHBondContact OD1-N 2.98Å; D34-Q38 WeakPolarHBondContact O-CG 3.11Å; D34-Q38 PolarHBondContact O-N 2.94Å | ||
| 35 | T | 88.1 | Confident | 88.5 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 58% | 0.577 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.1 | -32 | -179.7 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | R39 | T35-R39 WeakPolarHBondContact O-CB 3.49Å; T35-R39 PolarHBondContact O-N 3.17Å |
| 36 | T | 90.1 | Very high | 88.1 | Confident | 93 Ų | 93 | 73 Ų | 73 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.3 | -37.1 | 178.9 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | D34 T40 | D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 2.88Å; D34-T36 WeakPolarHBondContact OD1-CA 3.33Å; D34-T36 WeakPolarHBondContact OD1-CB 3.41Å; D34-T36 PolarHBondContact OD1-N 3.18Å; D34-T36 PolarHBondContact OD1-OG1 2.85Å; T36-T40 PolarHBondContact O-N 3.04Å; T36-T40 VanDerWaalsContact O-N 3.14Å; T36-T40 PolarHBondContact O-OG1 2.69Å |
| 37 | I | 87.8 | Confident | 87.8 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 172.3 | -66.2 | 174.6 | 0 | 0 | 0 | 109.3 | E29 D34 R39 T40 V41 | E29-I37 HydrophobicContact CB-CG2 3.96Å; E29-I37 HydrophobicContact CG-CG2 4.44Å; E29-I37 WeakPolarHBondContact O-CG2 3.4Å; D34-I37 HydrophobicContact CB-CB 4.13Å; D34-I37 HydrophobicContact CB-CD1 3.87Å; D34-I37 HydrophobicContact CB-CG1 4.04Å; D34-I37 PolarHBondContact O-N 3.33Å; D34-I37 PolarHBondContact OD1-N 2.98Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.35Å; I37-T40 WeakPolarHBondContact O-CB 3.29Å; I37-T40 PolarHBondContact O-N 3.43Å; I37-T40 VanDerWaalsContact O-N 3.1Å; I37-V41 HydrophobicContact CG2-CG2 4.1Å; I37-V41 WeakPolarHBondContact O-CB 3.37Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.1Å; I37-V41 PolarHBondContact O-N 3.18Å |
| 38 | Q | 84.4 | Confident | 87.5 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 177.7 | -70.7 | 177.9 | 9.3 | 0 | 0 | 112.5 | S32 D34 T40 V41 Q42 | S32-Q38 PolarHBondContact O-NE2 3.1Å; D34-Q38 WeakPolarHBondContact O-CG 3.11Å; D34-Q38 PolarHBondContact O-N 2.94Å; Q38-T40 VanDerWaalsContact C-N 3.34Å; Q38-T40 PolarHBondContact O-N 3.07Å; Q38-V41 PolarHBondContact O-N 3.41Å; Q38-Q42 PolarHBondContact O-N 3.32Å |
| 39 | R | 85.2 | Confident | 87 | Confident | 177 Ų | 177 | 77.9 Ų | 77.9 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 177.6 | -171.5 | -179.5 | -66.1 | 174.7 | -1.2 | 112.2 | T35 I37 Q42 Q43 | T35-R39 WeakPolarHBondContact O-CB 3.49Å; T35-R39 PolarHBondContact O-N 3.17Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.35Å; R39-Q42 PolarHBondContact O-N 3.36Å; R39-Q43 PolarHBondContact O-N 2.99Å |
| 40 | T | 88.8 | Confident | 86.3 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | T36 I37 Q38 Q43 K44 | T36-T40 PolarHBondContact O-N 3.04Å; T36-T40 VanDerWaalsContact O-N 3.14Å; T36-T40 PolarHBondContact O-OG1 2.69Å; I37-T40 WeakPolarHBondContact O-CB 3.29Å; I37-T40 PolarHBondContact O-N 3.43Å; I37-T40 VanDerWaalsContact O-N 3.1Å; Q38-T40 VanDerWaalsContact C-N 3.34Å; Q38-T40 PolarHBondContact O-N 3.07Å; T40-Q43 PolarHBondContact O-N 3.3Å; T40-K44 WeakPolarHBondContact O-CG 3.16Å; T40-K44 PolarHBondContact O-N 2.64Å; T40-K44 VanDerWaalsContact O-N 3.09Å |
| 41 | V | 88.6 | Confident | 86 | Confident | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.018 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L26 E29 I37 Q38 Q43 K44 L45 | L26-V41 HydrophobicContact CD1-CB 4.32Å; L26-V41 HydrophobicContact CD1-CG1 3.83Å; L26-V41 HydrophobicContact CD1-CG2 4.19Å; L26-V41 HydrophobicContact CG-CG1 4.27Å; E29-V41 HydrophobicContact CB-CG2 3.44Å; E29-V41 VanDerWaalsContact CB-CG2 3.44Å; I37-V41 HydrophobicContact CG2-CG2 4.1Å; I37-V41 WeakPolarHBondContact O-CB 3.37Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.1Å; I37-V41 PolarHBondContact O-N 3.18Å; Q38-V41 PolarHBondContact O-N 3.41Å; V41-Q43 VanDerWaalsContact C-N 3.32Å; V41-Q43 PolarHBondContact O-N 3.42Å; V41-K44 PolarHBondContact O-N 3.11Å; V41-K44 VanDerWaalsContact O-N 3.15Å; V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.19Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 3.1Å |
| 42 | Q | 84.6 | Confident | 85.6 | Confident | 124 Ų | 124 | 86.9 Ų | 86.9 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.3 | -46 | 176.6 | -163.6 | 70.1 | 10.7 | 0 | 0 | 111.5 | Q38 R39 K44 L45 E46 | Q38-Q42 PolarHBondContact O-N 3.32Å; R39-Q42 PolarHBondContact O-N 3.36Å; Q42-K44 PolarHBondContact O-N 2.84Å; Q42-L45 PolarHBondContact O-N 3.43Å; Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 2.71Å |
| 43 | Q | 86.9 | Confident | 85.4 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.5 | -69.5 | 177.9 | -9.8 | 0 | 0 | 112.6 | R39 T40 V41 Q47 | R39-Q43 PolarHBondContact O-N 2.99Å; T40-Q43 PolarHBondContact O-N 3.3Å; V41-Q43 VanDerWaalsContact C-N 3.32Å; V41-Q43 PolarHBondContact O-N 3.42Å; Q43-Q47 WeakPolarHBondContact O-CG 3.29Å; Q43-Q47 PolarHBondContact O-N 3.12Å |
| 44 | K | 88.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 83.6 Ų | 83.6 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.9 | -72.8 | 178.2 | -176.4 | 174.3 | 0 | 111.7 | L26 E29 T40 V41 Q42 E46 Q47 L48 | L26-K44 HydrophobicContact CD1-CB 3.83Å; L26-K44 HydrophobicContact CD1-CD 3.71Å; L26-K44 HydrophobicContact CD1-CG 4.47Å; E29-K44 IonicContact OE2-NZ 3.7Å; E29-K44 PolarHBondContact OE2-NZ 2.73Å; E29-K44 VanDerWaalsContact OE2-NZ 3.12Å; T40-K44 WeakPolarHBondContact O-CG 3.16Å; T40-K44 PolarHBondContact O-N 2.64Å; T40-K44 VanDerWaalsContact O-N 3.09Å; V41-K44 PolarHBondContact O-N 3.11Å; V41-K44 VanDerWaalsContact O-N 3.15Å; Q42-K44 PolarHBondContact O-N 2.84Å; K44-E46 VanDerWaalsContact C-N 3.33Å; K44-E46 PolarHBondContact O-N 2.74Å; K44-Q47 PolarHBondContact O-N 3.25Å; K44-L48 WeakPolarHBondContact O-CG 3.41Å; K44-L48 PolarHBondContact O-N 3.04Å |
| 45 | L | 85.6 | Confident | 85.7 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 177 | -76 | 170.7 | 0 | 0 | 0 | 111 | L26 V41 Q42 Q47 L48 N49 F54 I79 | L26-L45 HydrophobicContact CD2-CD2 3.52Å; L26-L45 HydrophobicContact CD2-CG 4.01Å; L26-L45 HydrophobicContact CG-CD2 4.24Å; L26-L45 HydrophobicContact CG-CG 4.46Å; V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.19Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 3.1Å; Q42-L45 PolarHBondContact O-N 3.43Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.23Å; L45-L48 PolarHBondContact O-N 2.67Å; L45-L48 VanDerWaalsContact O-N 3.14Å; L45-N49 WeakPolarHBondContact O-CB 3.44Å; L45-N49 PolarHBondContact O-N 3.01Å; L45-N49 PolarHBondContact O-ND2 3.34Å; L45-N49 PolarHBondContact O-OD1 2.97Å; L45-F54 HydrophobicContact CD2-CE1 4.34Å; L45-F54 HydrophobicContact CD2-CZ 3.83Å; L45-I79 HydrophobicContact CD1-CD1 4.19Å; L45-I79 HydrophobicContact CD2-CD1 4.18Å; L45-I79 HydrophobicContact CD2-CG2 4.29Å |
| 46 | E | 83.8 | Confident | 86 | Confident | 130 Ų | 130 | 76.2 Ų | 76.2 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.9 | -34.5 | 179.5 | -164.5 | 158.1 | -151.7 | 0 | 0 | 113 | Q42 K44 | Q42-E46 WeakPolarHBondContact O-CB 3.47Å; Q42-E46 PolarHBondContact O-N 2.71Å; K44-E46 VanDerWaalsContact C-N 3.33Å; K44-E46 PolarHBondContact O-N 2.74Å |
| 47 | Q | 84.9 | Confident | 86.2 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.1 | -43.7 | 170.9 | -69.4 | 175.5 | 7.7 | 0 | 0 | 112.1 | Q43 K44 L45 N49 Q50 | Q43-Q47 WeakPolarHBondContact O-CG 3.29Å; Q43-Q47 PolarHBondContact O-N 3.12Å; K44-Q47 PolarHBondContact O-N 3.25Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.23Å; Q47-N49 VanDerWaalsContact C-N 3.33Å; Q47-N49 PolarHBondContact O-N 2.92Å; Q47-Q50 WeakPolarHBondContact O-CB 3.45Å; Q47-Q50 PolarHBondContact O-N 3.39Å |
| 48 | L | 85.4 | Confident | 86.5 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 29% | 0.293 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.7 | -29.9 | -178.4 | -72.3 | 170.5 | 0 | 0 | 0 | 112.9 | I23 L26 K44 L45 Q50 Y51 F54 | I23-L48 HydrophobicContact CD1-CD1 4.26Å; L26-L48 HydrophobicContact CD2-CD1 3.48Å; L26-L48 VanDerWaalsContact CD2-CD1 3.48Å; K44-L48 WeakPolarHBondContact O-CG 3.41Å; K44-L48 PolarHBondContact O-N 3.04Å; L45-L48 PolarHBondContact O-N 2.67Å; L45-L48 VanDerWaalsContact O-N 3.14Å; L48-Q50 PolarHBondContact O-N 3.26Å; L48-Q50 VanDerWaalsContact O-N 3.1Å; L48-Y51 PolarHBondContact O-N 3.01Å; L48-F54 HydrophobicContact CB-CD1 3.87Å; L48-F54 HydrophobicContact CB-CD2 4.17Å; L48-F54 HydrophobicContact CB-CE1 3.99Å; L48-F54 HydrophobicContact CB-CE2 4.31Å; L48-F54 HydrophobicContact CB-CG 3.95Å; L48-F54 HydrophobicContact CB-CZ 4.21Å; L48-F54 HydrophobicContact CD1-CE2 4.22Å; L48-F54 HydrophobicContact CD1-CZ 4.48Å; L48-F54 WeakPolarHBondContact O-CB 3.37Å |
| 49 | N | 79.7 | Confident | 87.1 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.8 | 177 | -75.2 | -9.6 | 0 | 0 | 0 | 113.6 | L45 Q47 Y51 F54 N83 | L45-N49 WeakPolarHBondContact O-CB 3.44Å; L45-N49 PolarHBondContact O-N 3.01Å; L45-N49 PolarHBondContact O-ND2 3.34Å; L45-N49 PolarHBondContact O-OD1 2.97Å; Q47-N49 VanDerWaalsContact C-N 3.33Å; Q47-N49 PolarHBondContact O-N 2.92Å; N49-Y51 VanDerWaalsContact C-N 3.25Å; N49-Y51 PolarHBondContact O-N 3.43Å; N49-F54 VanDerWaalsContact OD1-CE1 3.27Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.47Å; N49-N83 PolarHBondContact ND2-OD1 3.39Å; N49-N83 VanDerWaalsContact OD1-CG 3.31Å; N49-N83 PolarHBondContact OD1-ND2 3.13Å; N49-N83 PolarHBondContact OD1-OD1 3.02Å; N49-N83 VanDerWaalsContact OD1-OD1 3.08Å |
| 50 | Q | 75.5 | Confident | 87.6 | Confident | 147 Ų | 147 | 59.3 Ų | 59.3 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.3 | 176.6 | -58.8 | 177.3 | 17.8 | 0 | 0 | 112.9 | Q47 L48 | Q47-Q50 WeakPolarHBondContact O-CB 3.45Å; Q47-Q50 PolarHBondContact O-N 3.39Å; L48-Q50 PolarHBondContact O-N 3.26Å; L48-Q50 VanDerWaalsContact O-N 3.1Å |
| 51 | Y | 82 | Confident | 87.9 | Confident | 149 Ų | 149 | 56.1 Ų | 56.1 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | trans | -101.7 | 114.6 | -178.1 | -64.4 | -84.6 | 0 | 0 | 0 | 110.4 | L48 N49 D53 F54 | L48-Y51 PolarHBondContact O-N 3.01Å; N49-Y51 VanDerWaalsContact C-N 3.25Å; N49-Y51 PolarHBondContact O-N 3.43Å; Y51-D53 PolarHBondContact O-N 3.08Å; Y51-D53 VanDerWaalsContact O-N 3.11Å; Y51-F54 VanDerWaalsContact O-CB 3.24Å; Y51-F54 WeakPolarHBondContact O-CB 3.36Å; Y51-F54 PolarHBondContact O-N 3.46Å | ||
| 52 | P | 79.1 | Confident | 88.3 | Confident | 48 Ų | 48 | 56 Ų | 56 | 31% | 0.312 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -31.6 | -178.2 | -28.4 | 35.7 | 0 | 0 | 0 | 114.5 | F54 N55 P92 V95 | P52-F54 PolarHBondContact O-N 2.71Å; P52-N55 WeakPolarHBondContact O-CB 3.5Å; P52-N55 PolarHBondContact O-N 3.1Å; P52-N55 PolarHBondContact O-ND2 3.14Å; P52-P92 VanDerWaalsContact CB-CD 3.5Å; P52-P92 HydrophobicContact CB-CG 3.76Å; P52-P92 HydrophobicContact CG-CG 4Å; P52-V95 HydrophobicContact CB-CG2 4.21Å |
| 53 | D | 86.6 | Confident | 88.9 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -27.2 | 179.1 | -162.1 | 54.5 | 0 | 0 | 0 | 113 | W13 Y51 N55 N56 Y57 | W13-D53 PolarHBondContact NE1-OD1 3.2Å; Y51-D53 PolarHBondContact O-N 3.08Å; Y51-D53 VanDerWaalsContact O-N 3.11Å; D53-N55 PolarHBondContact O-N 2.66Å; D53-N56 WeakPolarHBondContact O-CB 3.49Å; D53-N56 PolarHBondContact O-N 2.85Å; D53-N56 VanDerWaalsContact O-N 3.09Å; D53-Y57 WeakPolarHBondContact O-CD2 3.41Å; D53-Y57 PolarHBondContact O-N 3.16Å; D53-Y57 WeakPolarHBondContact OD2-CE2 3.31Å |
| 54 | F | 91.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -37.7 | 174.6 | 176.3 | -126.5 | 0 | 0 | 0 | 111.6 | I23 L45 L48 N49 Y51 P52 N56 Y57 L58 | I23-F54 HydrophobicContact CD1-CD2 3.69Å; I23-F54 HydrophobicContact CD1-CE2 3.54Å; I23-F54 HydrophobicContact CG1-CD2 4.31Å; I23-F54 HydrophobicContact CG1-CE2 4.21Å; I23-F54 HydrophobicContact CG2-CE2 4.26Å; L45-F54 HydrophobicContact CD2-CE1 4.34Å; L45-F54 HydrophobicContact CD2-CZ 3.83Å; L48-F54 HydrophobicContact CB-CD1 3.87Å; L48-F54 HydrophobicContact CB-CD2 4.17Å; L48-F54 HydrophobicContact CB-CE1 3.99Å; L48-F54 HydrophobicContact CB-CE2 4.31Å; L48-F54 HydrophobicContact CB-CG 3.95Å; L48-F54 HydrophobicContact CB-CZ 4.21Å; L48-F54 HydrophobicContact CD1-CE2 4.22Å; L48-F54 HydrophobicContact CD1-CZ 4.48Å; L48-F54 WeakPolarHBondContact O-CB 3.37Å; N49-F54 VanDerWaalsContact OD1-CE1 3.27Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.47Å; Y51-F54 VanDerWaalsContact O-CB 3.24Å; Y51-F54 WeakPolarHBondContact O-CB 3.36Å; Y51-F54 PolarHBondContact O-N 3.46Å; P52-F54 PolarHBondContact O-N 2.71Å; F54-N56 VanDerWaalsContact C-N 3.28Å; F54-N56 PolarHBondContact O-N 3.24Å; F54-Y57 WeakPolarHBondContact O-CB 3.46Å; F54-Y57 PolarHBondContact O-N 3.43Å; F54-Y57 VanDerWaalsContact O-N 3.13Å; F54-L58 HydrophobicContact CD1-CD1 4.11Å; F54-L58 HydrophobicContact CD2-CG 4.49Å; F54-L58 HydrophobicContact CE1-CD1 3.7Å; F54-L58 HydrophobicContact CE1-CD2 4.39Å; F54-L58 HydrophobicContact CE1-CG 4.21Å; F54-L58 HydrophobicContact CE2-CD1 4.47Å; F54-L58 HydrophobicContact CE2-CD2 3.93Å; F54-L58 HydrophobicContact CE2-CG 4.09Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.74Å; F54-L58 HydrophobicContact CZ-CG 3.96Å; F54-L58 PolarHBondContact O-N 2.92Å; F54-L58 VanDerWaalsContact O-N 3.09Å |
| 55 | N | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -28.8 | 179.3 | -60 | -63.4 | 0 | 0 | 0 | 112.5 | P52 D53 L58 I59 L80 N83 F91 V95 I99 | P52-N55 WeakPolarHBondContact O-CB 3.5Å; P52-N55 PolarHBondContact O-N 3.1Å; P52-N55 PolarHBondContact O-ND2 3.14Å; D53-N55 PolarHBondContact O-N 2.66Å; N55-L58 PolarHBondContact O-N 2.95Å; N55-I59 PolarHBondContact O-N 3.33Å; N55-I59 VanDerWaalsContact O-N 3.15Å; N55-L80 HydrophobicContact CB-CD1 3.64Å; N55-N83 WeakPolarHBondContact OD1-CB 3.3Å; N55-N83 PolarHBondContact OD1-ND2 3.25Å; N55-F91 HydrophobicContact CB-CE2 4.05Å; N55-F91 HydrophobicContact CB-CZ 4.18Å; N55-F91 VanDerWaalsContact CG-CZ 3.45Å; N55-F91 VanDerWaalsContact ND2-CZ 3.34Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.22Å; N55-V95 HydrophobicContact CB-CG1 4.13Å; N55-I99 HydrophobicContact CB-CD1 4.29Å |
| 56 | N | 93.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 172.1 | -69.8 | -21.6 | 0 | 0 | 0 | 111.7 | W13 D53 F54 L58 I59 F60 V95 F98 | W13-N56 HydrophobicContact CD2-CB 3.63Å; W13-N56 HydrophobicContact CE3-CB 4.11Å; W13-N56 HydrophobicContact CG-CB 4.11Å; W13-N56 HydrophobicContact CH2-CB 4Å; W13-N56 HydrophobicContact CZ2-CB 3.5Å; W13-N56 HydrophobicContact CZ3-CB 4.28Å; W13-N56 PolarHBondContact NE1-ND2 2.91Å; D53-N56 WeakPolarHBondContact O-CB 3.49Å; D53-N56 PolarHBondContact O-N 2.85Å; D53-N56 VanDerWaalsContact O-N 3.09Å; F54-N56 VanDerWaalsContact C-N 3.28Å; F54-N56 PolarHBondContact O-N 3.24Å; N56-L58 VanDerWaalsContact C-N 3.34Å; N56-I59 VanDerWaalsContact O-CG2 3.25Å; N56-I59 WeakPolarHBondContact O-CG2 3.49Å; N56-F60 VanDerWaalsContact O-CB 3.24Å; N56-F60 WeakPolarHBondContact O-CB 3.39Å; N56-F60 PolarHBondContact O-N 3.45Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.32Å; N56-F98 HydrophobicContact CB-CD1 4.19Å; N56-F98 HydrophobicContact CB-CE1 4.2Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.26Å |
| 57 | Y | 94.6 | Very high | 90 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 173.1 | -77.2 | -83.5 | 0 | 0 | 0 | 111.8 | W13 P15 D16 L20 I23 D53 F54 F60 V61 | W13-Y57 AromaticContact CH2-CD1 3.95Å; W13-Y57 HydrophobicContact CH2-CD1 3.95Å; W13-Y57 HydrophobicContact CH2-CD2 4.26Å; W13-Y57 HydrophobicContact CH2-CE1 4.15Å; W13-Y57 HydrophobicContact CH2-CE2 4.44Å; W13-Y57 HydrophobicContact CH2-CG 4Å; W13-Y57 HydrophobicContact CZ2-CD1 4.18Å; W13-Y57 AromaticContact CZ2-CD2 3.74Å; W13-Y57 HydrophobicContact CZ2-CD2 3.74Å; W13-Y57 HydrophobicContact CZ2-CE1 4.15Å; W13-Y57 AromaticContact CZ2-CE2 3.71Å; W13-Y57 HydrophobicContact CZ2-CE2 3.71Å; W13-Y57 AromaticContact CZ2-CG 3.97Å; W13-Y57 HydrophobicContact CZ2-CG 3.97Å; W13-Y57 AromaticContact CZ2-CZ 3.91Å; P15-Y57 HydrophobicContact CB-CD1 4.24Å; P15-Y57 HydrophobicContact CB-CE1 3.69Å; D16-Y57 WeakPolarHBondContact CB-OH 3.3Å; D16-Y57 PolarHBondContact N-OH 3.47Å; L20-Y57 HydrophobicContact CB-CD1 4.33Å; L20-Y57 HydrophobicContact CB-CE1 4.07Å; L20-Y57 HydrophobicContact CD1-CD1 4.05Å; I23-Y57 HydrophobicContact CG1-CD1 4.36Å; I23-Y57 HydrophobicContact CG1-CG 4.13Å; D53-Y57 WeakPolarHBondContact O-CD2 3.41Å; D53-Y57 PolarHBondContact O-N 3.16Å; D53-Y57 WeakPolarHBondContact OD2-CE2 3.31Å; F54-Y57 WeakPolarHBondContact O-CB 3.46Å; F54-Y57 PolarHBondContact O-N 3.43Å; F54-Y57 VanDerWaalsContact O-N 3.13Å; Y57-F60 PolarHBondContact O-N 3.16Å; Y57-V61 WeakPolarHBondContact O-CG2 3.27Å; Y57-V61 PolarHBondContact O-N 3.36Å |
| 58 | L | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | -179.3 | -65.7 | 175.2 | 0 | 0 | 0 | 112.2 | F54 N55 N56 F60 V61 L62 S76 I79 L80 | F54-L58 HydrophobicContact CD1-CD1 4.11Å; F54-L58 HydrophobicContact CD2-CG 4.49Å; F54-L58 HydrophobicContact CE1-CD1 3.7Å; F54-L58 HydrophobicContact CE1-CD2 4.39Å; F54-L58 HydrophobicContact CE1-CG 4.21Å; F54-L58 HydrophobicContact CE2-CD1 4.47Å; F54-L58 HydrophobicContact CE2-CD2 3.93Å; F54-L58 HydrophobicContact CE2-CG 4.09Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.74Å; F54-L58 HydrophobicContact CZ-CG 3.96Å; F54-L58 PolarHBondContact O-N 2.92Å; F54-L58 VanDerWaalsContact O-N 3.09Å; N55-L58 PolarHBondContact O-N 2.95Å; N56-L58 VanDerWaalsContact C-N 3.34Å; L58-F60 VanDerWaalsContact C-N 3.3Å; L58-F60 PolarHBondContact O-N 3.14Å; L58-V61 PolarHBondContact O-N 2.84Å; L58-L62 PolarHBondContact O-N 2.8Å; L58-L62 VanDerWaalsContact O-N 3.12Å; L58-S76 VanDerWaalsContact CA-OG 3.25Å; L58-S76 WeakPolarHBondContact CA-OG 3.31Å; L58-S76 VanDerWaalsContact CD2-OG 3.28Å; L58-S76 WeakPolarHBondContact CD2-OG 3.38Å; L58-S76 PolarHBondContact O-OG 3.31Å; L58-I79 HydrophobicContact CD1-CB 4.37Å; L58-I79 HydrophobicContact CD1-CG2 3.81Å; L58-I79 HydrophobicContact CD2-CG2 4.37Å; L58-L80 HydrophobicContact CB-CB 3.96Å; L58-L80 HydrophobicContact CB-CD2 4.46Å; L58-L80 HydrophobicContact CD1-CB 3.97Å; L58-L80 HydrophobicContact CD1-CD1 4.39Å |
| 59 | I | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -34.8 | 177.1 | -172.3 | 62.7 | 0 | 0 | 0 | 111.8 | N55 N56 L62 T63 L80 F98 I99 E102 L121 | N55-I59 PolarHBondContact O-N 3.33Å; N55-I59 VanDerWaalsContact O-N 3.15Å; N56-I59 VanDerWaalsContact O-CG2 3.25Å; N56-I59 WeakPolarHBondContact O-CG2 3.49Å; I59-L62 HydrophobicContact CD1-CD2 4.04Å; I59-L62 PolarHBondContact O-N 3.32Å; I59-T63 HydrophobicContact CD1-CG2 3.69Å; I59-T63 HydrophobicContact CG1-CG2 4.24Å; I59-T63 WeakPolarHBondContact O-CB 3.41Å; I59-T63 PolarHBondContact O-N 2.86Å; I59-T63 PolarHBondContact O-OG1 2.94Å; I59-L80 HydrophobicContact CB-CD2 3.77Å; I59-L80 HydrophobicContact CD1-CD2 4.25Å; I59-F98 HydrophobicContact CG2-CD1 3.72Å; I59-F98 HydrophobicContact CG2-CE1 3.5Å; I59-F98 VanDerWaalsContact CG2-CE1 3.5Å; I59-F98 HydrophobicContact CG2-CZ 4.48Å; I59-I99 HydrophobicContact CB-CG1 4.14Å; I59-I99 HydrophobicContact CD1-CG2 4.43Å; I59-I99 HydrophobicContact CG1-CG1 4.5Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.87Å; I59-E102 HydrophobicContact CD1-CB 4.25Å; I59-E102 HydrophobicContact CG1-CB 3.66Å; I59-E102 HydrophobicContact CG1-CG 4.4Å; I59-L121 HydrophobicContact CD1-CD1 4.36Å |
| 60 | F | 95.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 176.9 | -177 | -89.3 | 0 | 0 | 0 | 112 | W13 P15 L20 N56 Y57 L58 T63 K64 L65 | W13-F60 HydrophobicContact CH2-CB 4.09Å; W13-F60 HydrophobicContact CH2-CG 4.38Å; W13-F60 HydrophobicContact CZ3-CB 3.72Å; W13-F60 AromaticContact CZ3-CD2 3.78Å; W13-F60 HydrophobicContact CZ3-CD2 3.78Å; W13-F60 AromaticContact CZ3-CG 3.87Å; W13-F60 HydrophobicContact CZ3-CG 3.87Å; P15-F60 HydrophobicContact CB-CE1 4.48Å; P15-F60 HydrophobicContact CG-CD1 4.25Å; P15-F60 HydrophobicContact CG-CD2 4.31Å; P15-F60 HydrophobicContact CG-CE1 3.82Å; P15-F60 HydrophobicContact CG-CE2 3.89Å; P15-F60 HydrophobicContact CG-CG 4.49Å; P15-F60 HydrophobicContact CG-CZ 3.64Å; L20-F60 HydrophobicContact CD1-CD1 4.18Å; L20-F60 HydrophobicContact CD1-CE1 4.47Å; L20-F60 HydrophobicContact CD2-CE1 4.16Å; N56-F60 VanDerWaalsContact O-CB 3.24Å; N56-F60 WeakPolarHBondContact O-CB 3.39Å; N56-F60 PolarHBondContact O-N 3.45Å; Y57-F60 PolarHBondContact O-N 3.16Å; L58-F60 VanDerWaalsContact C-N 3.3Å; L58-F60 PolarHBondContact O-N 3.14Å; F60-T63 PolarHBondContact O-N 3.05Å; F60-K64 HydrophobicContact CD1-CB 4.44Å; F60-K64 HydrophobicContact CD2-CB 3.76Å; F60-K64 HydrophobicContact CD2-CG 3.74Å; F60-K64 HydrophobicContact CE1-CB 4.28Å; F60-K64 HydrophobicContact CE2-CB 3.57Å; F60-K64 HydrophobicContact CE2-CG 3.78Å; F60-K64 HydrophobicContact CG-CB 4.19Å; F60-K64 HydrophobicContact CG-CG 4.48Å; F60-K64 HydrophobicContact CZ-CB 3.84Å; F60-K64 WeakPolarHBondContact O-CB 3.48Å; F60-K64 PolarHBondContact O-N 3.4Å; F60-L65 HydrophobicContact CD1-CD1 4.39Å; F60-L65 HydrophobicContact CE1-CB 4.35Å; F60-L65 HydrophobicContact CE1-CD1 4.11Å; F60-L65 HydrophobicContact CE1-CG 4.5Å; F60-L65 PolarHBondContact O-N 3.04Å |
| 61 | V | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | L20 L24 L27 Y57 L58 T63 L65 R73 | L20-V61 HydrophobicContact CD1-CG2 3.87Å; L24-V61 HydrophobicContact CD2-CG1 4.21Å; L24-V61 HydrophobicContact CD2-CG2 4.19Å; L27-V61 HydrophobicContact CD1-CG1 3.94Å; Y57-V61 WeakPolarHBondContact O-CG2 3.27Å; Y57-V61 PolarHBondContact O-N 3.36Å; L58-V61 PolarHBondContact O-N 2.84Å; V61-T63 PolarHBondContact O-N 3.32Å; V61-L65 HydrophobicContact CG2-CD1 4.33Å; V61-R73 WeakPolarHBondContact O-CG 3.03Å |
| 62 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 178.2 | 176.2 | 65.6 | 0 | 0 | 0 | 112.5 | L58 I59 R73 I114 T117 V118 L121 | L58-L62 PolarHBondContact O-N 2.8Å; L58-L62 VanDerWaalsContact O-N 3.12Å; I59-L62 HydrophobicContact CD1-CD2 4.04Å; I59-L62 PolarHBondContact O-N 3.32Å; L62-R73 WeakPolarHBondContact CD1-O 3.31Å; L62-R73 PolarHBondContact O-NE 3.27Å; L62-R73 VanDerWaalsContact O-NE 3.1Å; L62-R73 PolarHBondContact O-NH2 3.49Å; L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.12Å; L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.17Å; L62-V118 HydrophobicContact CD2-CG2 3.95Å; L62-V118 HydrophobicContact CG-CG2 4.38Å; L62-L121 HydrophobicContact CD2-CD1 3.52Å |
| 63 | T | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -100.2 | -40.1 | -163.5 | 59 | 0 | 0 | 0 | 0 | 114.4 | I59 F60 V61 K66 E102 N106 | I59-T63 HydrophobicContact CD1-CG2 3.69Å; I59-T63 HydrophobicContact CG1-CG2 4.24Å; I59-T63 WeakPolarHBondContact O-CB 3.41Å; I59-T63 PolarHBondContact O-N 2.86Å; I59-T63 PolarHBondContact O-OG1 2.94Å; F60-T63 PolarHBondContact O-N 3.05Å; V61-T63 PolarHBondContact O-N 3.32Å; T63-K66 WeakPolarHBondContact O-CE 3.3Å; T63-K66 PolarHBondContact O-NZ 2.93Å; T63-E102 HydrophobicContact CG2-CB 4.25Å; T63-E102 PolarHBondContact OG1-OE2 2.9Å; T63-N106 HydrophobicContact CG2-CB 4.05Å; T63-N106 PolarHBondContact O-OD1 3.15Å |
| 64 | K | 93.8 | Very high | 94.1 | Very high | 104 Ų | 104 | 34.2 Ų | 34.2 | 45% | 0.452 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -32.9 | -172.9 | -64.8 | -77.8 | 169.5 | 169.3 | 0 | 113.5 | F60 K66 E102 | F60-K64 HydrophobicContact CD1-CB 4.44Å; F60-K64 HydrophobicContact CD2-CB 3.76Å; F60-K64 HydrophobicContact CD2-CG 3.74Å; F60-K64 HydrophobicContact CE1-CB 4.28Å; F60-K64 HydrophobicContact CE2-CB 3.57Å; F60-K64 HydrophobicContact CE2-CG 3.78Å; F60-K64 HydrophobicContact CG-CB 4.19Å; F60-K64 HydrophobicContact CG-CG 4.48Å; F60-K64 HydrophobicContact CZ-CB 3.84Å; F60-K64 WeakPolarHBondContact O-CB 3.48Å; F60-K64 PolarHBondContact O-N 3.4Å; K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.2Å; K64-E102 WeakPolarHBondContact CE-OE1 3.35Å; K64-E102 WeakPolarHBondContact CE-OE2 3.41Å; K64-E102 IonicContact NZ-OE1 3.74Å; K64-E102 PolarHBondContact NZ-OE1 3.21Å; K64-E102 IonicContact NZ-OE2 2.72Å; K64-E102 PolarHBondContact NZ-OE2 2.96Å |
| 65 | L | 93.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | trans | -84.7 | 67.3 | -169.8 | -149.6 | 159 | 0 | 0 | 0 | 111.4 | L20 L24 F60 V61 S67 E68 | L20-L65 HydrophobicContact CD1-CD1 3.71Å; L20-L65 HydrophobicContact CD2-CD1 3.7Å; L20-L65 HydrophobicContact CG-CD1 3.99Å; L24-L65 HydrophobicContact CD1-CD1 4.23Å; L24-L65 HydrophobicContact CD2-CD1 4.46Å; F60-L65 HydrophobicContact CD1-CD1 4.39Å; F60-L65 HydrophobicContact CE1-CB 4.35Å; F60-L65 HydrophobicContact CE1-CD1 4.11Å; F60-L65 HydrophobicContact CE1-CG 4.5Å; F60-L65 PolarHBondContact O-N 3.04Å; V61-L65 HydrophobicContact CG2-CD1 4.33Å; L65-S67 WeakPolarHBondContact CD2-OG 3.35Å; L65-S67 PolarHBondContact O-N 3.27Å; L65-S67 VanDerWaalsContact O-N 3.09Å; L65-E68 HydrophobicContact CD2-CB 3.75Å; L65-E68 HydrophobicContact CD2-CG 3.22Å; L65-E68 PolarHBondContact O-N 3.27Å | ||
| 66 | K | 91.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 36 Ų | 36 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.7 | -177.3 | -52.6 | -57.8 | -168.8 | -170.8 | 0 | 114 | T63 K64 N106 D109 | T63-K66 WeakPolarHBondContact O-CE 3.3Å; T63-K66 PolarHBondContact O-NZ 2.93Å; K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.2Å; K66-N106 PolarHBondContact NZ-OD1 3.42Å; K66-D109 IonicContact NZ-OD2 2.68Å; K66-D109 PolarHBondContact NZ-OD2 3.11Å |
| 67 | S | 91.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 35.6 Ų | 35.6 | 77% | 0.769 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.9 | 175.9 | 55 | 0 | 0 | 0 | 0 | 114.1 | L65 | L65-S67 WeakPolarHBondContact CD2-OG 3.35Å; L65-S67 PolarHBondContact O-N 3.27Å; L65-S67 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 93.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -90.2 | 158.5 | 174.3 | -71.1 | -75.4 | 158 | 0 | 0 | 111.1 | L24 K28 L65 R73 | L24-E68 HydrophobicContact CD1-CG 4.43Å; L24-E68 HydrophobicContact CD2-CG 3.83Å; K28-E68 WeakPolarHBondContact CE-OE2 3.49Å; K28-E68 IonicContact NZ-OE1 2.67Å; K28-E68 PolarHBondContact NZ-OE1 2.96Å; K28-E68 IonicContact NZ-OE2 3.46Å; K28-E68 PolarHBondContact NZ-OE2 3.09Å; L65-E68 HydrophobicContact CD2-CB 3.75Å; L65-E68 HydrophobicContact CD2-CG 3.22Å; L65-E68 PolarHBondContact O-N 3.27Å; E68-R73 HydrophobicContact CB-CG 4.32Å; E68-R73 VanDerWaalsContact O-CD 3.28Å; E68-R73 WeakPolarHBondContact O-CD 3.4Å |
| 69 | D | 93.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | trans | -69.2 | 158.6 | -178.4 | 62.9 | 45.9 | 0 | 0 | 0 | 113.3 | P71 T72 R73 | D69-P71 WeakPolarHBondContact OD1-CD 3.15Å; D69-T72 PolarHBondContact O-N 3.19Å; D69-T72 WeakPolarHBondContact OD1-CB 3.38Å; D69-T72 PolarHBondContact OD1-N 3.26Å; D69-T72 PolarHBondContact OD1-OG1 2.93Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.36Å; D69-R73 PolarHBondContact O-N 2.94Å; D69-R73 VanDerWaalsContact O-N 3.09Å | ||
| 70 | E | 93.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | -176.7 | -49.2 | -177.7 | 144.6 | 0 | 0 | 113.5 | T72 R73 S74 S111 L113 I114 | E70-T72 PolarHBondContact O-N 3.09Å; E70-R73 PolarHBondContact O-N 2.77Å; E70-S74 VanDerWaalsContact O-CB 3.24Å; E70-S74 WeakPolarHBondContact O-CB 3.39Å; E70-S74 PolarHBondContact O-N 3.39Å; E70-S111 WeakPolarHBondContact OE1-CB 3.21Å; E70-S111 PolarHBondContact OE1-OG 2.97Å; E70-S111 PolarHBondContact OE2-OG 3.37Å; E70-L113 HydrophobicContact CB-CD2 4.15Å; E70-I114 HydrophobicContact CB-CD1 4.49Å |
| 71 | P | 93.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 47% | 0.474 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.3 | -25.8 | 36.2 | 0 | 0 | 0 | 113.3 | D69 S74 L75 | D69-P71 WeakPolarHBondContact OD1-CD 3.15Å; P71-S74 PolarHBondContact O-N 2.81Å; P71-L75 WeakPolarHBondContact O-CB 3.47Å; P71-L75 PolarHBondContact O-N 3.37Å |
| 72 | T | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -45.1 | 178.6 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L27 Q31 D69 E70 L75 S76 | L27-T72 HydrophobicContact CB-CG2 4.01Å; L27-T72 HydrophobicContact CD1-CG2 4.2Å; Q31-T72 PolarHBondContact NE2-OG1 3.18Å; D69-T72 PolarHBondContact O-N 3.19Å; D69-T72 WeakPolarHBondContact OD1-CB 3.38Å; D69-T72 PolarHBondContact OD1-N 3.26Å; D69-T72 PolarHBondContact OD1-OG1 2.93Å; E70-T72 PolarHBondContact O-N 3.09Å; T72-L75 PolarHBondContact O-N 3.29Å; T72-S76 PolarHBondContact O-N 2.84Å; T72-S76 VanDerWaalsContact O-N 3.08Å |
| 73 | R | 96.4 | Very high | 93.6 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.2 | -68.7 | 172.5 | 57.6 | -153.9 | -8.1 | 111.5 | V61 L62 E68 D69 E70 S76 G77 D109 I114 | V61-R73 WeakPolarHBondContact O-CG 3.03Å; L62-R73 WeakPolarHBondContact CD1-O 3.31Å; L62-R73 PolarHBondContact O-NE 3.27Å; L62-R73 VanDerWaalsContact O-NE 3.1Å; L62-R73 PolarHBondContact O-NH2 3.49Å; E68-R73 HydrophobicContact CB-CG 4.32Å; E68-R73 VanDerWaalsContact O-CD 3.28Å; E68-R73 WeakPolarHBondContact O-CD 3.4Å; D69-R73 VanDerWaalsContact O-CG 3.26Å; D69-R73 WeakPolarHBondContact O-CG 3.36Å; D69-R73 PolarHBondContact O-N 2.94Å; D69-R73 VanDerWaalsContact O-N 3.09Å; E70-R73 PolarHBondContact O-N 2.77Å; R73-S76 WeakPolarHBondContact O-CB 3.33Å; R73-S76 PolarHBondContact O-N 3.29Å; R73-G77 PolarHBondContact O-N 3Å; R73-D109 IonicContact NH2-OD2 3.08Å; R73-D109 PolarHBondContact NH2-OD2 3.21Å; R73-I114 HydrophobicContact CB-CD1 3.6Å |
| 74 | S | 94.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 179.1 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | E70 P71 S76 G77 L78 T117 | E70-S74 VanDerWaalsContact O-CB 3.24Å; E70-S74 WeakPolarHBondContact O-CB 3.39Å; E70-S74 PolarHBondContact O-N 3.39Å; P71-S74 PolarHBondContact O-N 2.81Å; S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 PolarHBondContact O-N 3.18Å; S74-G77 WeakPolarHBondContact O-CA 3.27Å; S74-G77 PolarHBondContact O-N 3.26Å; S74-L78 WeakPolarHBondContact O-CG 3.38Å; S74-L78 PolarHBondContact O-N 3.42Å; S74-T117 PolarHBondContact OG-OG1 3.37Å |
| 75 | L | 93.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -40.6 | 176.9 | 179.9 | 56.9 | 0 | 0 | 0 | 112 | L27 S30 Q31 P71 T72 G77 L78 I79 | L27-L75 HydrophobicContact CD2-CG 4.44Å; S30-L75 WeakPolarHBondContact OG-CD2 3.39Å; Q31-L75 HydrophobicContact CG-CD2 3.62Å; P71-L75 WeakPolarHBondContact O-CB 3.47Å; P71-L75 PolarHBondContact O-N 3.37Å; T72-L75 PolarHBondContact O-N 3.29Å; L75-G77 VanDerWaalsContact C-N 3.31Å; L75-G77 PolarHBondContact O-N 2.89Å; L75-L78 PolarHBondContact O-N 3.13Å; L75-I79 HydrophobicContact CD1-CD1 4.4Å; L75-I79 HydrophobicContact CD1-CG1 4.42Å; L75-I79 HydrophobicContact CG-CD1 4.24Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.02Å |
| 76 | S | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 173.6 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | L58 T72 R73 S74 I79 L80 | L58-S76 VanDerWaalsContact CA-OG 3.25Å; L58-S76 WeakPolarHBondContact CA-OG 3.31Å; L58-S76 VanDerWaalsContact CD2-OG 3.28Å; L58-S76 WeakPolarHBondContact CD2-OG 3.38Å; L58-S76 PolarHBondContact O-OG 3.31Å; T72-S76 PolarHBondContact O-N 2.84Å; T72-S76 VanDerWaalsContact O-N 3.08Å; R73-S76 WeakPolarHBondContact O-CB 3.33Å; R73-S76 PolarHBondContact O-N 3.29Å; S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 PolarHBondContact O-N 3.18Å; S76-I79 PolarHBondContact O-N 2.9Å; S76-L80 PolarHBondContact O-N 3.47Å |
| 77 | G | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R73 S74 L75 L80 K81 | R73-G77 PolarHBondContact O-N 3Å; S74-G77 WeakPolarHBondContact O-CA 3.27Å; S74-G77 PolarHBondContact O-N 3.26Å; L75-G77 VanDerWaalsContact C-N 3.31Å; L75-G77 PolarHBondContact O-N 2.89Å; G77-L80 WeakPolarHBondContact O-CB 3.41Å; G77-L80 PolarHBondContact O-N 3.41Å; G77-K81 PolarHBondContact O-N 3.12Å |
| 78 | L | 93 | Very high | 92.5 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.9 | -35.4 | 177.8 | -67.8 | 175.5 | 0 | 0 | 0 | 112.8 | S74 L75 K81 N82 T117 | S74-L78 WeakPolarHBondContact O-CG 3.38Å; S74-L78 PolarHBondContact O-N 3.42Å; L75-L78 PolarHBondContact O-N 3.13Å; L78-K81 WeakPolarHBondContact O-CB 3.36Å; L78-K81 PolarHBondContact O-N 2.99Å; L78-N82 PolarHBondContact O-N 2.95Å; L78-N82 VanDerWaalsContact O-N 3.14Å; L78-T117 HydrophobicContact CD2-CG2 4.49Å; L78-T117 HydrophobicContact CG-CG2 4.42Å |
| 79 | I | 92.7 | Very high | 92.1 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 170.4 | -67 | 167 | 0 | 0 | 0 | 109.3 | L27 L45 L58 L75 S76 K81 N82 N83 | L27-I79 HydrophobicContact CD2-CD1 3.66Å; L45-I79 HydrophobicContact CD1-CD1 4.19Å; L45-I79 HydrophobicContact CD2-CD1 4.18Å; L45-I79 HydrophobicContact CD2-CG2 4.29Å; L58-I79 HydrophobicContact CD1-CB 4.37Å; L58-I79 HydrophobicContact CD1-CG2 3.81Å; L58-I79 HydrophobicContact CD2-CG2 4.37Å; L75-I79 HydrophobicContact CD1-CD1 4.4Å; L75-I79 HydrophobicContact CD1-CG1 4.42Å; L75-I79 HydrophobicContact CG-CD1 4.24Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.02Å; S76-I79 PolarHBondContact O-N 2.9Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.35Å; I79-N82 WeakPolarHBondContact O-CB 3.29Å; I79-N82 PolarHBondContact O-N 3.26Å; I79-N82 VanDerWaalsContact O-N 3.08Å; I79-N83 PolarHBondContact O-N 3.49Å; I79-N83 PolarHBondContact O-OD1 2.81Å |
| 80 | L | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 176 | 179.2 | 59.8 | 0 | 0 | 0 | 111.8 | N55 L58 I59 S76 G77 N82 N83 V84 F91 I99 L121 | N55-L80 HydrophobicContact CB-CD1 3.64Å; L58-L80 HydrophobicContact CB-CB 3.96Å; L58-L80 HydrophobicContact CB-CD2 4.46Å; L58-L80 HydrophobicContact CD1-CB 3.97Å; L58-L80 HydrophobicContact CD1-CD1 4.39Å; I59-L80 HydrophobicContact CB-CD2 3.77Å; I59-L80 HydrophobicContact CD1-CD2 4.25Å; S76-L80 PolarHBondContact O-N 3.47Å; G77-L80 WeakPolarHBondContact O-CB 3.41Å; G77-L80 PolarHBondContact O-N 3.41Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 2.62Å; L80-N83 WeakPolarHBondContact O-CB 3.45Å; L80-N83 PolarHBondContact O-N 2.89Å; L80-N83 VanDerWaalsContact O-N 3.13Å; L80-V84 HydrophobicContact CD1-CG2 4.44Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 3.14Å; L80-F91 HydrophobicContact CD1-CE2 4.46Å; L80-I99 HydrophobicContact CD1-CD1 4.07Å; L80-I99 HydrophobicContact CD2-CD1 4.4Å; L80-I99 HydrophobicContact CD2-CG1 4.4Å; L80-I99 HydrophobicContact CD2-CG2 4.16Å; L80-L121 HydrophobicContact CB-CD2 4.17Å; L80-L121 HydrophobicContact CD2-CD1 4.1Å; L80-L121 HydrophobicContact CD2-CD2 4.05Å; L80-L121 HydrophobicContact CG-CD2 3.83Å |
| 81 | K | 94.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 46 Ų | 46 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -43.5 | 175.6 | -175.9 | -137.4 | 75.7 | -170.6 | 0 | 111.5 | G77 L78 I79 N83 V84 K85 I120 L121 T124 | G77-K81 PolarHBondContact O-N 3.12Å; L78-K81 WeakPolarHBondContact O-CB 3.36Å; L78-K81 PolarHBondContact O-N 2.99Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.35Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-V84 PolarHBondContact O-N 3.27Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 2.96Å; K81-I120 HydrophobicContact CD-CG2 3.5Å; K81-I120 HydrophobicContact CG-CG2 3.81Å; K81-L121 HydrophobicContact CB-CD2 3.89Å; K81-T124 HydrophobicContact CG-CG2 4Å; K81-T124 WeakPolarHBondContact CG-OG1 3.31Å |
| 82 | N | 91.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -39 | 177.2 | -67.1 | -21.5 | 0 | 0 | 0 | 111.5 | L78 I79 L80 K85 A86 | L78-N82 PolarHBondContact O-N 2.95Å; L78-N82 VanDerWaalsContact O-N 3.14Å; I79-N82 WeakPolarHBondContact O-CB 3.29Å; I79-N82 PolarHBondContact O-N 3.26Å; I79-N82 VanDerWaalsContact O-N 3.08Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 2.62Å; N82-K85 PolarHBondContact O-N 2.66Å; N82-K85 VanDerWaalsContact O-N 3.16Å; N82-A86 PolarHBondContact O-N 2.85Å |
| 83 | N | 91.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.2 | -66.9 | 0.8 | 0 | 0 | 0 | 112.2 | N49 N55 I79 L80 K81 K85 A86 H87 F91 | N49-N83 PolarHBondContact ND2-OD1 3.39Å; N49-N83 VanDerWaalsContact OD1-CG 3.31Å; N49-N83 PolarHBondContact OD1-ND2 3.13Å; N49-N83 PolarHBondContact OD1-OD1 3.02Å; N49-N83 VanDerWaalsContact OD1-OD1 3.08Å; N55-N83 WeakPolarHBondContact OD1-CB 3.3Å; N55-N83 PolarHBondContact OD1-ND2 3.25Å; I79-N83 PolarHBondContact O-N 3.49Å; I79-N83 PolarHBondContact O-OD1 2.81Å; L80-N83 WeakPolarHBondContact O-CB 3.45Å; L80-N83 PolarHBondContact O-N 2.89Å; L80-N83 VanDerWaalsContact O-N 3.13Å; K81-N83 VanDerWaalsContact C-N 3.34Å; N83-K85 VanDerWaalsContact C-N 3.34Å; N83-A86 PolarHBondContact O-N 2.86Å; N83-H87 WeakPolarHBondContact O-CA 3.5Å; N83-H87 WeakPolarHBondContact O-CB 3.31Å; N83-H87 PolarHBondContact O-N 2.97Å; N83-F91 HydrophobicContact CB-CZ 4.16Å |
| 84 | V | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 170.9 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | L80 K81 A86 F88 F91 T124 I125 | L80-V84 HydrophobicContact CD1-CG2 4.44Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 3.14Å; K81-V84 PolarHBondContact O-N 3.27Å; V84-A86 VanDerWaalsContact C-N 3.3Å; V84-A86 PolarHBondContact O-N 3.08Å; V84-F88 HydrophobicContact CB-CD2 4.39Å; V84-F88 HydrophobicContact CG1-CB 4.29Å; V84-F88 HydrophobicContact CG1-CD2 3.72Å; V84-F88 HydrophobicContact CG1-CE2 4.36Å; V84-F88 HydrophobicContact CG1-CG 4.23Å; V84-F88 HydrophobicContact CG2-CD2 4.31Å; V84-F88 WeakPolarHBondContact O-CB 3.25Å; V84-F88 PolarHBondContact O-N 3.06Å; V84-F91 HydrophobicContact CG2-CE2 4.18Å; V84-T124 HydrophobicContact CB-CG2 4.3Å; V84-T124 HydrophobicContact CG1-CG2 3.81Å; V84-I125 HydrophobicContact CG1-CG1 3.84Å; V84-I125 HydrophobicContact CG2-CG1 4.18Å |
| 85 | K | 88.5 | Confident | 90.6 | Very high | 111 Ų | 111 | 53.4 Ų | 53.4 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 179.7 | -74.2 | -168.7 | 177.8 | -164 | 0 | 114.1 | K81 N82 N83 T124 K128 | K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 2.96Å; N82-K85 PolarHBondContact O-N 2.66Å; N82-K85 VanDerWaalsContact O-N 3.16Å; N83-K85 VanDerWaalsContact C-N 3.34Å; K85-T124 HydrophobicContact CD-CG2 4.35Å; K85-T124 HydrophobicContact CG-CG2 3.52Å; K85-K128 HydrophobicContact CG-CG 4.44Å |
| 86 | A | 86.4 | Confident | 90.5 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 56% | 0.562 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -92.2 | -31.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N82 N83 V84 | N82-A86 PolarHBondContact O-N 2.85Å; N83-A86 PolarHBondContact O-N 2.86Å; V84-A86 VanDerWaalsContact C-N 3.3Å; V84-A86 PolarHBondContact O-N 3.08Å |
| 87 | H | 87.8 | Confident | 90.3 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -135.9 | 11 | -163 | -55.2 | -45 | 0 | 0 | 0 | 114.4 | N83 Q89 N90 F91 | N83-H87 WeakPolarHBondContact O-CA 3.5Å; N83-H87 WeakPolarHBondContact O-CB 3.31Å; N83-H87 PolarHBondContact O-N 2.97Å; H87-Q89 PolarHBondContact O-N 2.72Å; H87-Q89 VanDerWaalsContact O-N 3.12Å; H87-N90 WeakPolarHBondContact O-CB 3.13Å; H87-N90 PolarHBondContact O-N 3.42Å; H87-F91 HydrophobicContact CB-CE1 4.07Å; H87-F91 WeakPolarHBondContact O-CD1 3.48Å |
| 88 | F | 88.1 | Confident | 90.2 | Very high | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -54.4 | -35.8 | -175 | -169.4 | -107.6 | 0 | 0 | 0 | 114.2 | V84 N90 F91 T96 I125 G129 | V84-F88 HydrophobicContact CB-CD2 4.39Å; V84-F88 HydrophobicContact CG1-CB 4.29Å; V84-F88 HydrophobicContact CG1-CD2 3.72Å; V84-F88 HydrophobicContact CG1-CE2 4.36Å; V84-F88 HydrophobicContact CG1-CG 4.23Å; V84-F88 HydrophobicContact CG2-CD2 4.31Å; V84-F88 WeakPolarHBondContact O-CB 3.25Å; V84-F88 PolarHBondContact O-N 3.06Å; F88-N90 PolarHBondContact O-N 3.15Å; F88-N90 VanDerWaalsContact O-N 3.16Å; F88-F91 HydrophobicContact CD2-CD2 4.28Å; F88-F91 WeakPolarHBondContact O-CB 3.39Å; F88-F91 PolarHBondContact O-N 3.44Å; F88-T96 HydrophobicContact CE2-CG2 3.95Å; F88-T96 HydrophobicContact CZ-CG2 3.72Å; F88-I125 HydrophobicContact CE2-CG1 4.33Å; F88-I125 HydrophobicContact CE2-CG2 3.97Å; F88-I125 HydrophobicContact CZ-CG2 3.83Å; F88-G129 VanDerWaalsContact CD1-CA 3.5Å |
| 89 | Q | 84.6 | Confident | 90.3 | Very high | 189 Ų | 189 | 55.1 Ų | 55.1 | 88% | 0.883 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.8 | -24.6 | 177.6 | -64.7 | 176 | 0.6 | 0 | 0 | 113.2 | H87 | H87-Q89 PolarHBondContact O-N 2.72Å; H87-Q89 VanDerWaalsContact O-N 3.12Å |
| 90 | N | 87 | Confident | 90.4 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -90.8 | -2.8 | 179.5 | -60.8 | -24.8 | 0 | 0 | 0 | 112.6 | H87 F88 P92 | H87-N90 WeakPolarHBondContact O-CB 3.13Å; H87-N90 PolarHBondContact O-N 3.42Å; F88-N90 PolarHBondContact O-N 3.15Å; F88-N90 VanDerWaalsContact O-N 3.16Å; N90-P92 WeakPolarHBondContact O-CD 3.22Å |
| 91 | F | 88.1 | Confident | 90.4 | Very high | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | trans | -75.9 | 128.4 | -176.3 | -79.3 | 29.6 | 0 | 0 | 0 | 110.2 | N55 L80 N83 V84 H87 F88 V95 T96 I99 | N55-F91 HydrophobicContact CB-CE2 4.05Å; N55-F91 HydrophobicContact CB-CZ 4.18Å; N55-F91 VanDerWaalsContact CG-CZ 3.45Å; N55-F91 VanDerWaalsContact ND2-CZ 3.34Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.22Å; L80-F91 HydrophobicContact CD1-CE2 4.46Å; N83-F91 HydrophobicContact CB-CZ 4.16Å; V84-F91 HydrophobicContact CG2-CE2 4.18Å; H87-F91 HydrophobicContact CB-CE1 4.07Å; H87-F91 WeakPolarHBondContact O-CD1 3.48Å; F88-F91 HydrophobicContact CD2-CD2 4.28Å; F88-F91 WeakPolarHBondContact O-CB 3.39Å; F88-F91 PolarHBondContact O-N 3.44Å; F91-V95 HydrophobicContact CD2-CG1 4.1Å; F91-T96 WeakPolarHBondContact CB-OG1 3.47Å; F91-I99 HydrophobicContact CD2-CD1 4.24Å; F91-I99 HydrophobicContact CE2-CD1 4.01Å | ||
| 92 | P | 90.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | trans | -63.4 | 141.5 | 170.5 | -18.2 | 30.6 | 0 | 0 | 0 | 110.7 | P52 N90 G94 V95 T96 | P52-P92 VanDerWaalsContact CB-CD 3.5Å; P52-P92 HydrophobicContact CB-CG 3.76Å; P52-P92 HydrophobicContact CG-CG 4Å; N90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-G94 PolarHBondContact O-N 2.96Å; P92-V95 HydrophobicContact CB-CG2 4.45Å; P92-V95 HydrophobicContact CG-CG2 4.31Å; P92-V95 WeakPolarHBondContact O-CB 3.24Å; P92-V95 PolarHBondContact O-N 3.17Å; P92-T96 PolarHBondContact O-N 2.97Å; P92-T96 VanDerWaalsContact O-N 3.12Å; P92-T96 PolarHBondContact O-OG1 3.37Å | ||
| 93 | N | 87.1 | Confident | 90.7 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 69% | 0.69 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.1 | -36.9 | -178.8 | -64.8 | -5.1 | 0 | 0 | 0 | 113.3 | V95 T96 D97 | N93-V95 PolarHBondContact O-N 2.93Å; N93-T96 PolarHBondContact O-N 2.99Å; N93-D97 WeakPolarHBondContact O-CB 3.49Å; N93-D97 PolarHBondContact O-N 3.42Å |
| 94 | G | 89.1 | Confident | 90.8 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P92 F98 | P92-G94 PolarHBondContact O-N 2.96Å; G94-F98 WeakPolarHBondContact O-CB 3.45Å; G94-F98 PolarHBondContact O-N 3.21Å |
| 95 | V | 90.9 | Very high | 91 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -46.6 | 174.2 | 171 | 0 | 0 | 0 | 0 | 109.3 | P52 N55 N56 F91 P92 N93 D97 F98 I99 | P52-V95 HydrophobicContact CB-CG2 4.21Å; N55-V95 HydrophobicContact CB-CG1 4.13Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.32Å; F91-V95 HydrophobicContact CD2-CG1 4.1Å; P92-V95 HydrophobicContact CB-CG2 4.45Å; P92-V95 HydrophobicContact CG-CG2 4.31Å; P92-V95 WeakPolarHBondContact O-CB 3.24Å; P92-V95 PolarHBondContact O-N 3.17Å; N93-V95 PolarHBondContact O-N 2.93Å; V95-D97 PolarHBondContact O-N 3Å; V95-F98 PolarHBondContact O-N 2.95Å; V95-I99 HydrophobicContact CG1-CD1 3.72Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 3.02Å |
| 96 | T | 92 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F88 F91 P92 N93 F98 I99 K100 | F88-T96 HydrophobicContact CE2-CG2 3.95Å; F88-T96 HydrophobicContact CZ-CG2 3.72Å; F91-T96 WeakPolarHBondContact CB-OG1 3.47Å; P92-T96 PolarHBondContact O-N 2.97Å; P92-T96 VanDerWaalsContact O-N 3.12Å; P92-T96 PolarHBondContact O-OG1 3.37Å; N93-T96 PolarHBondContact O-N 2.99Å; T96-F98 VanDerWaalsContact C-N 3.33Å; T96-F98 PolarHBondContact O-N 2.96Å; T96-I99 PolarHBondContact O-N 2.73Å; T96-K100 HydrophobicContact CG2-CD 3.97Å; T96-K100 HydrophobicContact CG2-CG 4.32Å; T96-K100 WeakPolarHBondContact O-CB 3.43Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å; T96-K100 PolarHBondContact O-N 2.9Å |
| 97 | D | 92.1 | Very high | 91.7 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 179.8 | -69.6 | -16.1 | 0 | 0 | 0 | 111.9 | N93 V95 S101 | N93-D97 WeakPolarHBondContact O-CB 3.49Å; N93-D97 PolarHBondContact O-N 3.42Å; V95-D97 PolarHBondContact O-N 3Å; D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.33Å; D97-S101 PolarHBondContact O-N 3.35Å |
| 98 | F | 93.9 | Very high | 92 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 174.1 | 180 | -119.2 | 0 | 0 | 0 | 111.6 | W13 N56 I59 G94 V95 T96 S101 E102 | W13-F98 HydrophobicContact CD2-CE1 4.38Å; W13-F98 AromaticContact CE3-CE1 3.74Å; W13-F98 HydrophobicContact CE3-CE1 3.74Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.19Å; W13-F98 HydrophobicContact CZ3-CZ 4.33Å; N56-F98 HydrophobicContact CB-CD1 4.19Å; N56-F98 HydrophobicContact CB-CE1 4.2Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.26Å; I59-F98 HydrophobicContact CG2-CD1 3.72Å; I59-F98 HydrophobicContact CG2-CE1 3.5Å; I59-F98 VanDerWaalsContact CG2-CE1 3.5Å; I59-F98 HydrophobicContact CG2-CZ 4.48Å; G94-F98 WeakPolarHBondContact O-CB 3.45Å; G94-F98 PolarHBondContact O-N 3.21Å; V95-F98 PolarHBondContact O-N 2.95Å; T96-F98 VanDerWaalsContact C-N 3.33Å; T96-F98 PolarHBondContact O-N 2.96Å; F98-S101 PolarHBondContact O-N 2.97Å; F98-E102 HydrophobicContact CD2-CG 4.13Å; F98-E102 HydrophobicContact CE2-CG 3.7Å; F98-E102 HydrophobicContact CZ-CG 3.92Å; F98-E102 WeakPolarHBondContact O-CB 3.44Å; F98-E102 WeakPolarHBondContact O-CG 3.43Å; F98-E102 PolarHBondContact O-N 3.04Å |
| 99 | I | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.3 | -64.5 | 162.8 | 0 | 0 | 0 | 110.7 | N55 I59 L80 F91 V95 T96 S101 E102 C103 I125 | N55-I99 HydrophobicContact CB-CD1 4.29Å; I59-I99 HydrophobicContact CB-CG1 4.14Å; I59-I99 HydrophobicContact CD1-CG2 4.43Å; I59-I99 HydrophobicContact CG1-CG1 4.5Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.87Å; L80-I99 HydrophobicContact CD1-CD1 4.07Å; L80-I99 HydrophobicContact CD2-CD1 4.4Å; L80-I99 HydrophobicContact CD2-CG1 4.4Å; L80-I99 HydrophobicContact CD2-CG2 4.16Å; F91-I99 HydrophobicContact CD2-CD1 4.24Å; F91-I99 HydrophobicContact CE2-CD1 4.01Å; V95-I99 HydrophobicContact CG1-CD1 3.72Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.26Å; V95-I99 PolarHBondContact O-N 3.02Å; T96-I99 PolarHBondContact O-N 2.73Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 3.1Å; I99-E102 PolarHBondContact O-N 3.2Å; I99-C103 WeakPolarHBondContact O-CB 3.49Å; I99-C103 PolarHBondContact O-N 2.89Å; I99-C103 PolarHBondContact O-SG 3.21Å; I99-C103 VanDerWaalsContact O-SG 3.33Å; I99-I125 HydrophobicContact CG2-CD1 3.69Å |
| 100 | K | 94.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 43 Ų | 43 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.6 | -48.7 | 177.7 | -75.8 | 179.4 | 171.8 | -178.9 | 0 | 111.5 | T96 L104 I125 N133 W134 | T96-K100 HydrophobicContact CG2-CD 3.97Å; T96-K100 HydrophobicContact CG2-CG 4.32Å; T96-K100 WeakPolarHBondContact O-CB 3.43Å; T96-K100 WeakPolarHBondContact O-CG 3.46Å; T96-K100 PolarHBondContact O-N 2.9Å; K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 3.24Å; K100-L104 VanDerWaalsContact O-N 3.15Å; K100-I125 HydrophobicContact CG-CG2 4.5Å; K100-N133 PolarHBondContact NZ-O 2.87Å; K100-W134 HydrophobicContact CB-CH2 3.8Å; K100-W134 HydrophobicContact CB-CZ2 3.34Å; K100-W134 HydrophobicContact CD-CD2 3.63Å; K100-W134 HydrophobicContact CD-CE3 4.1Å; K100-W134 HydrophobicContact CD-CG 3.94Å; K100-W134 HydrophobicContact CD-CH2 4.46Å; K100-W134 HydrophobicContact CD-CZ2 4.03Å; K100-W134 HydrophobicContact CD-CZ3 4.49Å; K100-W134 HydrophobicContact CG-CD2 3.83Å; K100-W134 HydrophobicContact CG-CE3 3.95Å; K100-W134 HydrophobicContact CG-CH2 3.59Å; K100-W134 HydrophobicContact CG-CZ2 3.44Å; K100-W134 VanDerWaalsContact CG-CZ2 3.44Å; K100-W134 HydrophobicContact CG-CZ3 3.84Å |
| 101 | S | 94.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -48.2 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | D97 F98 I99 C103 L104 N105 | D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.33Å; D97-S101 PolarHBondContact O-N 3.35Å; F98-S101 PolarHBondContact O-N 2.97Å; I99-S101 VanDerWaalsContact C-N 3.35Å; I99-S101 PolarHBondContact O-N 3.1Å; S101-C103 PolarHBondContact O-N 2.98Å; S101-L104 PolarHBondContact O-N 2.99Å; S101-N105 WeakPolarHBondContact O-CB 2.88Å; S101-N105 VanDerWaalsContact O-CG 3.31Å; S101-N105 PolarHBondContact O-N 3.46Å; S101-N105 PolarHBondContact O-ND2 3.35Å; S101-N105 PolarHBondContact OG-ND2 3.16Å |
| 102 | E | 95.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | -178.6 | -75.6 | -57.2 | 151.7 | 0 | 0 | 112.8 | I59 T63 K64 F98 I99 N106 | I59-E102 HydrophobicContact CD1-CB 4.25Å; I59-E102 HydrophobicContact CG1-CB 3.66Å; I59-E102 HydrophobicContact CG1-CG 4.4Å; T63-E102 HydrophobicContact CG2-CB 4.25Å; T63-E102 PolarHBondContact OG1-OE2 2.9Å; K64-E102 WeakPolarHBondContact CE-OE1 3.35Å; K64-E102 WeakPolarHBondContact CE-OE2 3.41Å; K64-E102 IonicContact NZ-OE1 3.74Å; K64-E102 PolarHBondContact NZ-OE1 3.21Å; K64-E102 IonicContact NZ-OE2 2.72Å; K64-E102 PolarHBondContact NZ-OE2 2.96Å; F98-E102 HydrophobicContact CD2-CG 4.13Å; F98-E102 HydrophobicContact CE2-CG 3.7Å; F98-E102 HydrophobicContact CZ-CG 3.92Å; F98-E102 WeakPolarHBondContact O-CB 3.44Å; F98-E102 WeakPolarHBondContact O-CG 3.43Å; F98-E102 PolarHBondContact O-N 3.04Å; I99-E102 PolarHBondContact O-N 3.2Å; E102-N106 WeakPolarHBondContact O-CB 3.48Å; E102-N106 PolarHBondContact O-N 3.13Å; E102-N106 PolarHBondContact O-ND2 3.08Å; E102-N106 PolarHBondContact OE2-ND2 3.14Å |
| 103 | C | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 173.3 | -74.5 | 0 | 0 | 0 | 0 | 111.7 | I99 S101 N105 N106 I107 V118 I122 | I99-C103 WeakPolarHBondContact O-CB 3.49Å; I99-C103 PolarHBondContact O-N 2.89Å; I99-C103 PolarHBondContact O-SG 3.21Å; I99-C103 VanDerWaalsContact O-SG 3.33Å; S101-C103 PolarHBondContact O-N 2.98Å; C103-N105 VanDerWaalsContact C-N 3.31Å; C103-N105 PolarHBondContact O-N 3.11Å; C103-N106 CarbonylContact O-C 3.33Å; C103-N106 PolarHBondContact O-N 3.44Å; C103-I107 PolarHBondContact O-N 2.9Å; C103-I107 VanDerWaalsContact O-N 3.08Å; C103-V118 HydrophobicContact CB-CG1 4.09Å; C103-V118 WeakPolarHBondContact O-CG1 3.29Å; C103-I122 HydrophobicContact CB-CD1 4.1Å; C103-I122 HydrophobicContact CB-CG1 3.66Å |
| 104 | L | 94.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -33.5 | -177.9 | -69.5 | 175.4 | 0 | 0 | 0 | 113.1 | K100 S101 N106 I107 I122 W134 L137 K140 L141 | K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 3.24Å; K100-L104 VanDerWaalsContact O-N 3.15Å; S101-L104 PolarHBondContact O-N 2.99Å; L104-N106 VanDerWaalsContact C-N 3.33Å; L104-I107 WeakPolarHBondContact O-CG2 3.44Å; L104-I122 HydrophobicContact CD2-CD1 4.2Å; L104-W134 HydrophobicContact CD1-CZ2 3.62Å; L104-W134 HydrophobicContact CD2-CZ2 4.44Å; L104-W134 HydrophobicContact CG-CH2 4.46Å; L104-W134 HydrophobicContact CG-CZ2 3.89Å; L104-L137 HydrophobicContact CD2-CD1 3.85Å; L104-K140 HydrophobicContact CD1-CG 4.15Å; L104-L141 HydrophobicContact CD2-CD2 4.02Å; L104-L141 HydrophobicContact CD2-CG 4.44Å |
| 105 | N | 94.6 | Very high | 93.6 | Very high | 109 Ų | 109 | 34.5 Ų | 34.5 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -74.4 | -21.7 | 177.4 | -72.3 | -38.9 | 0 | 0 | 0 | 113.6 | S101 C103 | S101-N105 WeakPolarHBondContact O-CB 2.88Å; S101-N105 VanDerWaalsContact O-CG 3.31Å; S101-N105 PolarHBondContact O-N 3.46Å; S101-N105 PolarHBondContact O-ND2 3.35Å; S101-N105 PolarHBondContact OG-ND2 3.16Å; C103-N105 VanDerWaalsContact C-N 3.31Å; C103-N105 PolarHBondContact O-N 3.11Å |
| 106 | N | 95.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 14.2 | -177.1 | -66.2 | -95.6 | 0 | 0 | 0 | 113 | T63 K66 E102 C103 L104 G108 D109 | T63-N106 HydrophobicContact CG2-CB 4.05Å; T63-N106 PolarHBondContact O-OD1 3.15Å; K66-N106 PolarHBondContact NZ-OD1 3.42Å; E102-N106 WeakPolarHBondContact O-CB 3.48Å; E102-N106 PolarHBondContact O-N 3.13Å; E102-N106 PolarHBondContact O-ND2 3.08Å; E102-N106 PolarHBondContact OE2-ND2 3.14Å; C103-N106 CarbonylContact O-C 3.33Å; C103-N106 PolarHBondContact O-N 3.44Å; L104-N106 VanDerWaalsContact C-N 3.33Å; N106-G108 PolarHBondContact O-N 2.74Å; N106-D109 PolarHBondContact O-N 2.85Å; N106-D109 VanDerWaalsContact O-N 3.16Å |
| 107 | I | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25 | 179.5 | -159.2 | 170.1 | 0 | 0 | 0 | 112.7 | C103 L104 R115 I122 L141 L144 T152 A156 A159 | C103-I107 PolarHBondContact O-N 2.9Å; C103-I107 VanDerWaalsContact O-N 3.08Å; L104-I107 WeakPolarHBondContact O-CG2 3.44Å; I107-R115 WeakPolarHBondContact O-CD 3.44Å; I107-R115 VanDerWaalsContact O-CG 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.45Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.04Å; I107-L141 HydrophobicContact CD1-CD2 3.39Å; I107-L144 HydrophobicContact CG2-CD1 4.1Å; I107-T152 HydrophobicContact CG2-CG2 4.22Å; I107-A156 HydrophobicContact CD1-CB 4.19Å; I107-A159 HydrophobicContact CD1-CB 4.2Å |
| 108 | G | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 27.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N106 S110 N151 | N106-G108 PolarHBondContact O-N 2.74Å; G108-S110 PolarHBondContact O-N 2.95Å; G108-N151 WeakPolarHBondContact O-CB 3.35Å |
| 109 | D | 95.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | trans | -54.9 | 138.3 | 179 | -166.1 | -71.9 | 0 | 0 | 0 | 111 | K66 R73 N106 S111 I114 R115 | K66-D109 IonicContact NZ-OD2 2.68Å; K66-D109 PolarHBondContact NZ-OD2 3.11Å; R73-D109 IonicContact NH2-OD2 3.08Å; R73-D109 PolarHBondContact NH2-OD2 3.21Å; N106-D109 PolarHBondContact O-N 2.85Å; N106-D109 VanDerWaalsContact O-N 3.16Å; D109-S111 PolarHBondContact O-N 3.37Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 3.02Å; D109-I114 HydrophobicContact CB-CB 4.16Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; D109-R115 PolarHBondContact O-NE 3.37Å; D109-R115 VanDerWaalsContact O-NE 3.17Å; D109-R115 PolarHBondContact O-NH2 3.27Å; D109-R115 VanDerWaalsContact O-NH2 3.08Å | ||
| 110 | S | 92.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 69% | 0.692 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -61.4 | -26.7 | -178.3 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | G108 P112 | G108-S110 PolarHBondContact O-N 2.95Å; S110-P112 WeakPolarHBondContact O-CD 3.49Å |
| 111 | S | 92.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -79.8 | 122 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | E70 D109 L113 I114 R115 | E70-S111 WeakPolarHBondContact OE1-CB 3.21Å; E70-S111 PolarHBondContact OE1-OG 2.97Å; E70-S111 PolarHBondContact OE2-OG 3.37Å; D109-S111 PolarHBondContact O-N 3.37Å; D109-S111 WeakPolarHBondContact OD1-CB 3.37Å; D109-S111 PolarHBondContact OD1-N 3.02Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.47Å; S111-I114 PolarHBondContact O-N 2.95Å; S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 PolarHBondContact O-N 3.06Å; S111-R115 VanDerWaalsContact O-N 3.08Å |
| 112 | P | 88.6 | Confident | 93.5 | Very high | 96 Ų | 96 | 29.9 Ų | 29.9 | 62% | 0.623 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -58.8 | -37.3 | 175.7 | -23.8 | 34.2 | 0 | 0 | 0 | 112.8 | S110 R115 A116 | S110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-R115 PolarHBondContact O-N 3.33Å; P112-A116 WeakPolarHBondContact O-CB 3.1Å; P112-A116 PolarHBondContact O-N 3.12Å |
| 113 | L | 91.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 30 Ų | 30 | 39% | 0.387 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 179.5 | 178.6 | 61.5 | 0 | 0 | 0 | 111.5 | E70 S111 A116 T117 | E70-L113 HydrophobicContact CB-CD2 4.15Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.47Å; L113-A116 PolarHBondContact O-N 2.97Å; L113-T117 PolarHBondContact O-N 3.02Å; L113-T117 VanDerWaalsContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 3.01Å; L113-T117 VanDerWaalsContact O-OG1 3.11Å |
| 114 | I | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 179.8 | -59 | -60.5 | 0 | 0 | 0 | 110.8 | L62 E70 R73 D109 S111 A116 T117 V118 | L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.12Å; E70-I114 HydrophobicContact CB-CD1 4.49Å; R73-I114 HydrophobicContact CB-CD1 3.6Å; D109-I114 HydrophobicContact CB-CB 4.16Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; S111-I114 PolarHBondContact O-N 2.95Å; I114-A116 PolarHBondContact O-N 3.37Å; I114-T117 PolarHBondContact O-N 2.9Å; I114-V118 HydrophobicContact CG2-CG2 4.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.21Å; I114-V118 PolarHBondContact O-N 3.47Å |
| 115 | R | 92 | Very high | 93 | Very high | 23 Ų | 23 | 30 Ų | 30 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.2 | 169.8 | 164.9 | 28.6 | 161.3 | -13 | 112.5 | I107 D109 S111 P112 V118 G119 N151 E154 | I107-R115 WeakPolarHBondContact O-CD 3.44Å; I107-R115 VanDerWaalsContact O-CG 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.45Å; D109-R115 PolarHBondContact O-NE 3.37Å; D109-R115 VanDerWaalsContact O-NE 3.17Å; D109-R115 PolarHBondContact O-NH2 3.27Å; D109-R115 VanDerWaalsContact O-NH2 3.08Å; S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 PolarHBondContact O-N 3.06Å; S111-R115 VanDerWaalsContact O-N 3.08Å; P112-R115 PolarHBondContact O-N 3.33Å; R115-V118 PolarHBondContact O-N 3.03Å; R115-G119 PolarHBondContact O-N 3.28Å; R115-N151 VanDerWaalsContact NH1-CA 3.33Å; R115-N151 PolarHBondContact NH1-OD1 3.05Å; R115-N151 VanDerWaalsContact NH2-CG 3.3Å; R115-N151 PolarHBondContact NH2-OD1 3.15Å; R115-E154 VanDerWaalsContact CD-OE2 3.31Å; R115-E154 WeakPolarHBondContact CD-OE2 3.29Å; R115-E154 IonicContact CZ-OE2 2.98Å; R115-E154 IonicContact NE-OE2 3.94Å; R115-E154 IonicContact NH1-OE2 3.09Å; R115-E154 PolarHBondContact NH1-OE2 3.45Å |
| 116 | A | 89 | Confident | 92.8 | Very high | 51 Ų | 51 | 25 Ų | 25 | 42% | 0.421 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P112 L113 I114 V118 G119 I120 | P112-A116 WeakPolarHBondContact O-CB 3.1Å; P112-A116 PolarHBondContact O-N 3.12Å; L113-A116 PolarHBondContact O-N 2.97Å; I114-A116 PolarHBondContact O-N 3.37Å; A116-V118 PolarHBondContact O-N 3.11Å; A116-G119 PolarHBondContact O-N 2.98Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.38Å; A116-I120 PolarHBondContact O-N 2.67Å |
| 117 | T | 93.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | L62 S74 L78 L113 I114 I120 L121 | L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.17Å; S74-T117 PolarHBondContact OG-OG1 3.37Å; L78-T117 HydrophobicContact CD2-CG2 4.49Å; L78-T117 HydrophobicContact CG-CG2 4.42Å; L113-T117 PolarHBondContact O-N 3.02Å; L113-T117 VanDerWaalsContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 3.01Å; L113-T117 VanDerWaalsContact O-OG1 3.11Å; I114-T117 PolarHBondContact O-N 2.9Å; T117-I120 PolarHBondContact O-N 3.01Å; T117-L121 PolarHBondContact O-N 3.33Å |
| 118 | V | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 173.4 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L62 C103 I114 R115 A116 I120 L121 I122 | L62-V118 HydrophobicContact CD2-CG2 3.95Å; L62-V118 HydrophobicContact CG-CG2 4.38Å; C103-V118 HydrophobicContact CB-CG1 4.09Å; C103-V118 WeakPolarHBondContact O-CG1 3.29Å; I114-V118 HydrophobicContact CG2-CG2 4.31Å; I114-V118 WeakPolarHBondContact O-CG2 3.21Å; I114-V118 PolarHBondContact O-N 3.47Å; R115-V118 PolarHBondContact O-N 3.03Å; A116-V118 PolarHBondContact O-N 3.11Å; V118-I120 PolarHBondContact O-N 3.02Å; V118-L121 WeakPolarHBondContact O-CB 3.49Å; V118-L121 PolarHBondContact O-N 2.94Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 WeakPolarHBondContact O-CG1 3.4Å; V118-I122 PolarHBondContact O-N 3.41Å |
| 119 | G | 91.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R115 A116 L121 I122 T123 | R115-G119 PolarHBondContact O-N 3.28Å; A116-G119 PolarHBondContact O-N 2.98Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 2.97Å; G119-I122 PolarHBondContact O-N 3.03Å; G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.24Å; G119-T123 PolarHBondContact O-N 3.27Å; G119-T123 PolarHBondContact O-OG1 3.32Å |
| 120 | I | 90.6 | Very high | 91 | Very high | 70 Ų | 70 | 36.3 Ų | 36.3 | 36% | 0.359 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 176.1 | -70.7 | 165.8 | 0 | 0 | 0 | 111.7 | K81 A116 T117 V118 T123 T124 | K81-I120 HydrophobicContact CD-CG2 3.5Å; K81-I120 HydrophobicContact CG-CG2 3.81Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.38Å; A116-I120 PolarHBondContact O-N 2.67Å; T117-I120 PolarHBondContact O-N 3.01Å; V118-I120 PolarHBondContact O-N 3.02Å; I120-T123 WeakPolarHBondContact CA-OG1 3.46Å; I120-T123 PolarHBondContact O-OG1 2.96Å; I120-T123 VanDerWaalsContact O-OG1 3.06Å; I120-T124 VanDerWaalsContact O-CB 3.23Å; I120-T124 WeakPolarHBondContact O-CB 3.45Å; I120-T124 PolarHBondContact O-N 3.26Å; I120-T124 PolarHBondContact O-OG1 3.28Å |
| 121 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.6 | -85 | 168.6 | 0 | 0 | 0 | 111.6 | I59 L62 L80 K81 T117 V118 G119 T123 T124 I125 | I59-L121 HydrophobicContact CD1-CD1 4.36Å; L62-L121 HydrophobicContact CD2-CD1 3.52Å; L80-L121 HydrophobicContact CB-CD2 4.17Å; L80-L121 HydrophobicContact CD2-CD1 4.1Å; L80-L121 HydrophobicContact CD2-CD2 4.05Å; L80-L121 HydrophobicContact CG-CD2 3.83Å; K81-L121 HydrophobicContact CB-CD2 3.89Å; T117-L121 PolarHBondContact O-N 3.33Å; V118-L121 WeakPolarHBondContact O-CB 3.49Å; V118-L121 PolarHBondContact O-N 2.94Å; G119-L121 VanDerWaalsContact C-N 3.3Å; G119-L121 PolarHBondContact O-N 2.97Å; L121-T123 PolarHBondContact O-N 3.24Å; L121-T124 PolarHBondContact O-N 3.38Å; L121-I125 WeakPolarHBondContact O-CB 3.05Å; L121-I125 WeakPolarHBondContact O-CD1 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 3.24Å |
| 122 | I | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -49.8 | 177.5 | -68.2 | 170 | 0 | 0 | 0 | 110.2 | C103 L104 I107 V118 G119 I125 A126 W134 L137 A159 | C103-I122 HydrophobicContact CB-CD1 4.1Å; C103-I122 HydrophobicContact CB-CG1 3.66Å; L104-I122 HydrophobicContact CD2-CD1 4.2Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.04Å; V118-I122 HydrophobicContact CG1-CD1 4.03Å; V118-I122 WeakPolarHBondContact O-CG1 3.4Å; V118-I122 PolarHBondContact O-N 3.41Å; G119-I122 PolarHBondContact O-N 3.03Å; I122-I125 PolarHBondContact O-N 2.88Å; I122-A126 WeakPolarHBondContact O-CB 3.49Å; I122-A126 PolarHBondContact O-N 2.93Å; I122-W134 HydrophobicContact CG2-CZ3 4.45Å; I122-L137 HydrophobicContact CG2-CD1 3.85Å; I122-L137 HydrophobicContact CG2-CD2 4.41Å; I122-A159 HydrophobicContact CG2-CB 4.36Å |
| 123 | T | 90.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | -177.3 | 60 | 0 | 0 | 0 | 0 | 111.6 | G119 I120 L121 A126 S127 K162 I163 | G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.24Å; G119-T123 PolarHBondContact O-N 3.27Å; G119-T123 PolarHBondContact O-OG1 3.32Å; I120-T123 WeakPolarHBondContact CA-OG1 3.46Å; I120-T123 PolarHBondContact O-OG1 2.96Å; I120-T123 VanDerWaalsContact O-OG1 3.06Å; L121-T123 PolarHBondContact O-N 3.24Å; T123-A126 PolarHBondContact O-N 3.22Å; T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.99Å; T123-K162 HydrophobicContact CG2-CB 3.59Å; T123-K162 HydrophobicContact CG2-CG 3.69Å; T123-I163 HydrophobicContact CG2-CG1 4.36Å |
| 124 | T | 92.3 | Very high | 90.5 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | K81 V84 K85 I120 L121 S127 K128 | K81-T124 HydrophobicContact CG-CG2 4Å; K81-T124 WeakPolarHBondContact CG-OG1 3.31Å; V84-T124 HydrophobicContact CB-CG2 4.3Å; V84-T124 HydrophobicContact CG1-CG2 3.81Å; K85-T124 HydrophobicContact CD-CG2 4.35Å; K85-T124 HydrophobicContact CG-CG2 3.52Å; I120-T124 VanDerWaalsContact O-CB 3.23Å; I120-T124 WeakPolarHBondContact O-CB 3.45Å; I120-T124 PolarHBondContact O-N 3.26Å; I120-T124 PolarHBondContact O-OG1 3.28Å; L121-T124 PolarHBondContact O-N 3.38Å; T124-S127 PolarHBondContact O-N 2.94Å; T124-K128 WeakPolarHBondContact O-CB 3.4Å; T124-K128 PolarHBondContact O-N 3.02Å |
| 125 | I | 93.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 177.1 | -67.5 | 165.1 | 0 | 0 | 0 | 110.4 | V84 F88 I99 K100 L121 I122 S127 G129 W134 | V84-I125 HydrophobicContact CG1-CG1 3.84Å; V84-I125 HydrophobicContact CG2-CG1 4.18Å; F88-I125 HydrophobicContact CE2-CG1 4.33Å; F88-I125 HydrophobicContact CE2-CG2 3.97Å; F88-I125 HydrophobicContact CZ-CG2 3.83Å; I99-I125 HydrophobicContact CG2-CD1 3.69Å; K100-I125 HydrophobicContact CG-CG2 4.5Å; L121-I125 WeakPolarHBondContact O-CB 3.05Å; L121-I125 WeakPolarHBondContact O-CD1 3.39Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 3.24Å; I122-I125 PolarHBondContact O-N 2.88Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 2.92Å; I125-G129 VanDerWaalsContact O-CA 3.25Å; I125-G129 WeakPolarHBondContact O-CA 3.36Å; I125-G129 PolarHBondContact O-N 2.93Å; I125-W134 HydrophobicContact CB-CE3 4.34Å; I125-W134 HydrophobicContact CB-CZ3 3.9Å; I125-W134 HydrophobicContact CD1-CZ3 4.45Å; I125-W134 HydrophobicContact CG2-CE3 3.58Å; I125-W134 HydrophobicContact CG2-CZ3 3.52Å |
| 126 | A | 90.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I122 T123 E130 L131 L137 I163 | I122-A126 WeakPolarHBondContact O-CB 3.49Å; I122-A126 PolarHBondContact O-N 2.93Å; T123-A126 PolarHBondContact O-N 3.22Å; A126-E130 CarbonylContact O-C 3.15Å; A126-E130 WeakPolarHBondContact O-CA 3.31Å; A126-E130 PolarHBondContact O-N 3.28Å; A126-L131 HydrophobicContact CB-CD2 4.4Å; A126-L131 HydrophobicContact CB-CG 4.27Å; A126-L131 PolarHBondContact O-N 3.21Å; A126-L137 HydrophobicContact CB-CD2 3.84Å; A126-I163 HydrophobicContact CB-CG1 4.4Å |
| 127 | S | 87.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 45% | 0.448 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.4 | -54.5 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | T123 T124 I125 | T123-S127 WeakPolarHBondContact O-CB 3.21Å; T123-S127 PolarHBondContact O-N 2.99Å; T124-S127 PolarHBondContact O-N 2.94Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 2.92Å |
| 128 | K | 87.3 | Confident | 90.5 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 52% | 0.522 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -79.5 | -27 | -174.8 | -75.4 | -69.3 | -176.2 | -169.2 | 0 | 114.3 | K85 T124 | K85-K128 HydrophobicContact CG-CG 4.44Å; T124-K128 WeakPolarHBondContact O-CB 3.4Å; T124-K128 PolarHBondContact O-N 3.02Å |
| 129 | G | 82.4 | Confident | 90.4 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | F88 I125 N133 | F88-G129 VanDerWaalsContact CD1-CA 3.5Å; I125-G129 VanDerWaalsContact O-CA 3.25Å; I125-G129 WeakPolarHBondContact O-CA 3.36Å; I125-G129 PolarHBondContact O-N 2.93Å; G129-N133 WeakPolarHBondContact O-CB 3.46Å; G129-N133 PolarHBondContact O-ND2 2.86Å |
| 130 | E | 84.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 45.5 Ų | 45.5 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | trans | 61.7 | 133.3 | -168.7 | -44.2 | 174.8 | 156.6 | 0 | 0 | 113.2 | A126 Q132 N133 | A126-E130 CarbonylContact O-C 3.15Å; A126-E130 WeakPolarHBondContact O-CA 3.31Å; A126-E130 PolarHBondContact O-N 3.28Å; E130-Q132 VanDerWaalsContact C-N 3.26Å; E130-Q132 HydrophobicContact CB-CG 4.09Å; E130-Q132 VanDerWaalsContact CD-NE2 3.28Å; E130-Q132 PolarHBondContact O-N 3.44Å; E130-Q132 PolarHBondContact OE2-NE2 3.15Å; E130-N133 PolarHBondContact O-N 3.41Å; E130-N133 PolarHBondContact OE2-ND2 3.18Å | ||
| 131 | L | 87.3 | Confident | 90.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -59 | -33.8 | -176.8 | -86.4 | 133.5 | 0 | 0 | 0 | 113.4 | A126 N133 W134 L137 L138 I163 S167 L176 | A126-L131 HydrophobicContact CB-CD2 4.4Å; A126-L131 HydrophobicContact CB-CG 4.27Å; A126-L131 PolarHBondContact O-N 3.21Å; L131-N133 PolarHBondContact O-N 3.06Å; L131-N133 VanDerWaalsContact O-N 3.14Å; L131-W134 CarbonylContact O-C 3.6Å; L131-W134 PolarHBondContact O-N 3.38Å; L131-L137 HydrophobicContact CD2-CD2 4.44Å; L131-L138 HydrophobicContact CD2-CD1 4.34Å; L131-L138 HydrophobicContact CD2-CD2 4.11Å; L131-L138 HydrophobicContact CD2-CG 4.26Å; L131-I163 HydrophobicContact CD1-CG2 4.35Å; L131-I163 HydrophobicContact CD2-CG2 3.98Å; L131-S167 VanDerWaalsContact CD1-CB 3.42Å; L131-S167 WeakPolarHBondContact CD1-OG 3.43Å; L131-L176 HydrophobicContact CB-CD1 3.95Å |
| 132 | Q | 87.6 | Confident | 90.9 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -57.8 | -27.7 | 176.3 | 55.2 | -98.9 | 24.8 | 0 | 0 | 113.7 | E130 W134 V175 L176 | E130-Q132 VanDerWaalsContact C-N 3.26Å; E130-Q132 HydrophobicContact CB-CG 4.09Å; E130-Q132 VanDerWaalsContact CD-NE2 3.28Å; E130-Q132 PolarHBondContact O-N 3.44Å; E130-Q132 PolarHBondContact OE2-NE2 3.15Å; Q132-W134 VanDerWaalsContact C-N 3.26Å; Q132-W134 PolarHBondContact O-N 3.02Å; Q132-V175 HydrophobicContact CB-CG1 4.5Å; Q132-L176 HydrophobicContact CB-CD2 4.29Å |
| 133 | N | 89.3 | Confident | 90.9 | Very high | 91 Ų | 91 | 45.4 Ų | 45.4 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -87 | 3.4 | -178.4 | -58.7 | -40.9 | 0 | 0 | 0 | 112.3 | K100 G129 E130 L131 | K100-N133 PolarHBondContact NZ-O 2.87Å; G129-N133 WeakPolarHBondContact O-CB 3.46Å; G129-N133 PolarHBondContact O-ND2 2.86Å; E130-N133 PolarHBondContact O-N 3.41Å; E130-N133 PolarHBondContact OE2-ND2 3.18Å; L131-N133 PolarHBondContact O-N 3.06Å; L131-N133 VanDerWaalsContact O-N 3.14Å |
| 134 | W | 92 | Very high | 91.2 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | trans | -134.2 | 66 | 172.1 | -160.4 | -9.2 | 0 | 0 | 0 | 111.4 | K100 L104 I122 I125 L131 Q132 D136 L137 | K100-W134 HydrophobicContact CB-CH2 3.8Å; K100-W134 HydrophobicContact CB-CZ2 3.34Å; K100-W134 HydrophobicContact CD-CD2 3.63Å; K100-W134 HydrophobicContact CD-CE3 4.1Å; K100-W134 HydrophobicContact CD-CG 3.94Å; K100-W134 HydrophobicContact CD-CH2 4.46Å; K100-W134 HydrophobicContact CD-CZ2 4.03Å; K100-W134 HydrophobicContact CD-CZ3 4.49Å; K100-W134 HydrophobicContact CG-CD2 3.83Å; K100-W134 HydrophobicContact CG-CE3 3.95Å; K100-W134 HydrophobicContact CG-CH2 3.59Å; K100-W134 HydrophobicContact CG-CZ2 3.44Å; K100-W134 VanDerWaalsContact CG-CZ2 3.44Å; K100-W134 HydrophobicContact CG-CZ3 3.84Å; L104-W134 HydrophobicContact CD1-CZ2 3.62Å; L104-W134 HydrophobicContact CD2-CZ2 4.44Å; L104-W134 HydrophobicContact CG-CH2 4.46Å; L104-W134 HydrophobicContact CG-CZ2 3.89Å; I122-W134 HydrophobicContact CG2-CZ3 4.45Å; I125-W134 HydrophobicContact CB-CE3 4.34Å; I125-W134 HydrophobicContact CB-CZ3 3.9Å; I125-W134 HydrophobicContact CD1-CZ3 4.45Å; I125-W134 HydrophobicContact CG2-CE3 3.58Å; I125-W134 HydrophobicContact CG2-CZ3 3.52Å; L131-W134 CarbonylContact O-C 3.6Å; L131-W134 PolarHBondContact O-N 3.38Å; Q132-W134 VanDerWaalsContact C-N 3.26Å; Q132-W134 PolarHBondContact O-N 3.02Å; W134-D136 VanDerWaalsContact C-N 3.27Å; W134-D136 PolarHBondContact O-N 3.43Å; W134-L137 HydrophobicContact CB-CB 4.22Å; W134-L137 HydrophobicContact CD2-CB 3.85Å; W134-L137 HydrophobicContact CD2-CD1 4.17Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.24Å; W134-L137 HydrophobicContact CE3-CB 4.47Å; W134-L137 HydrophobicContact CE3-CD1 4.27Å; W134-L137 HydrophobicContact CE3-CD2 3.81Å; W134-L137 HydrophobicContact CE3-CG 4.41Å; W134-L137 HydrophobicContact CG-CB 3.71Å; W134-L137 HydrophobicContact CG-CD2 4.46Å; W134-L137 HydrophobicContact CH2-CD1 4.03Å; W134-L137 HydrophobicContact CZ2-CD1 3.93Å; W134-L137 HydrophobicContact CZ3-CD1 4.19Å; W134-L137 HydrophobicContact CZ3-CD2 4.24Å; W134-L137 VanDerWaalsContact O-CB 3.27Å; W134-L137 WeakPolarHBondContact O-CB 3.29Å; W134-L137 PolarHBondContact O-N 2.7Å; W134-L137 VanDerWaalsContact O-N 3.09Å | ||
| 135 | P | 88.6 | Confident | 91.4 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 64% | 0.643 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.6 | -167.3 | 25.8 | -35.8 | 0 | 0 | 0 | 114.4 | P139 | P135-P139 WeakPolarHBondContact O-CD 3.3Š|
| 136 | D | 90.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4 | -179.9 | 60.6 | -44.8 | 0 | 0 | 0 | 113.9 | W134 K140 | W134-D136 VanDerWaalsContact C-N 3.27Å; W134-D136 PolarHBondContact O-N 3.43Å; D136-K140 WeakPolarHBondContact O-CB 3.31Å; D136-K140 PolarHBondContact O-N 2.91Å |
| 137 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -59.7 | -179.5 | 178.1 | 59.8 | 0 | 0 | 0 | 112.4 | L104 I122 A126 L131 W134 K140 L141 I163 | L104-L137 HydrophobicContact CD2-CD1 3.85Å; I122-L137 HydrophobicContact CG2-CD1 3.85Å; I122-L137 HydrophobicContact CG2-CD2 4.41Å; A126-L137 HydrophobicContact CB-CD2 3.84Å; L131-L137 HydrophobicContact CD2-CD2 4.44Å; W134-L137 HydrophobicContact CB-CB 4.22Å; W134-L137 HydrophobicContact CD2-CB 3.85Å; W134-L137 HydrophobicContact CD2-CD1 4.17Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.24Å; W134-L137 HydrophobicContact CE3-CB 4.47Å; W134-L137 HydrophobicContact CE3-CD1 4.27Å; W134-L137 HydrophobicContact CE3-CD2 3.81Å; W134-L137 HydrophobicContact CE3-CG 4.41Å; W134-L137 HydrophobicContact CG-CB 3.71Å; W134-L137 HydrophobicContact CG-CD2 4.46Å; W134-L137 HydrophobicContact CH2-CD1 4.03Å; W134-L137 HydrophobicContact CZ2-CD1 3.93Å; W134-L137 HydrophobicContact CZ3-CD1 4.19Å; W134-L137 HydrophobicContact CZ3-CD2 4.24Å; W134-L137 VanDerWaalsContact O-CB 3.27Å; W134-L137 WeakPolarHBondContact O-CB 3.29Å; W134-L137 PolarHBondContact O-N 2.7Å; W134-L137 VanDerWaalsContact O-N 3.09Å; L137-K140 PolarHBondContact O-N 3.46Å; L137-L141 HydrophobicContact CD1-CD1 3.69Å; L137-L141 HydrophobicContact CD1-CG 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.94Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 2.88Å; L137-I163 HydrophobicContact CD2-CD1 4.03Å |
| 138 | L | 94.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | -176 | -56.4 | 174.3 | 0 | 0 | 0 | 112 | L131 K140 L141 C142 L160 I163 L171 L176 P179 M183 | L131-L138 HydrophobicContact CD2-CD1 4.34Å; L131-L138 HydrophobicContact CD2-CD2 4.11Å; L131-L138 HydrophobicContact CD2-CG 4.26Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.45Å; L138-L141 PolarHBondContact O-N 3.19Å; L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.07Å; L138-C142 PolarHBondContact O-SG 2.86Å; L138-L160 HydrophobicContact CD2-CD2 4.25Å; L138-I163 HydrophobicContact CD2-CD1 4.47Å; L138-I163 HydrophobicContact CD2-CG2 4.06Å; L138-L171 HydrophobicContact CD1-CD2 3.51Å; L138-L171 HydrophobicContact CD2-CD2 4.32Å; L138-L176 HydrophobicContact CD1-CD1 4.24Å; L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 4Å; L138-M183 HydrophobicContact CB-SD 4.46Å; L138-M183 HydrophobicContact CD1-SD 4.31Å; L138-M183 HydrophobicContact CD2-CE 4.46Å |
| 139 | P | 94.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 174.3 | -25.3 | 35.1 | 0 | 0 | 0 | 112.7 | P135 C142 S143 | P135-P139 WeakPolarHBondContact O-CD 3.3Å; P139-C142 PolarHBondContact O-N 2.7Å; P139-S143 PolarHBondContact O-N 2.74Å |
| 140 | K | 95.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.8 | -47.1 | -179.7 | -174.3 | 60.7 | 176.1 | 176.4 | 0 | 111.6 | L104 D136 L137 L138 C142 S143 L144 | L104-K140 HydrophobicContact CD1-CG 4.15Å; D136-K140 WeakPolarHBondContact O-CB 3.31Å; D136-K140 PolarHBondContact O-N 2.91Å; L137-K140 PolarHBondContact O-N 3.46Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.45Å; K140-C142 VanDerWaalsContact C-N 3.31Å; K140-C142 PolarHBondContact O-N 3.18Å; K140-S143 PolarHBondContact O-N 2.79Å; K140-S143 VanDerWaalsContact O-N 3.11Å; K140-S143 PolarHBondContact O-OG 3.49Å; K140-L144 HydrophobicContact CG-CD1 4.12Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 3.08Å |
| 141 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 175.1 | -71.3 | 176.1 | 0 | 0 | 0 | 111.4 | L104 I107 L137 L138 S143 L144 L145 A156 A159 L160 I163 | L104-L141 HydrophobicContact CD2-CD2 4.02Å; L104-L141 HydrophobicContact CD2-CG 4.44Å; I107-L141 HydrophobicContact CD1-CD2 3.39Å; L137-L141 HydrophobicContact CD1-CD1 3.69Å; L137-L141 HydrophobicContact CD1-CG 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.94Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 2.88Å; L138-L141 PolarHBondContact O-N 3.19Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.17Å; L141-L144 HydrophobicContact CD2-CD1 4.39Å; L141-L144 WeakPolarHBondContact O-CB 3.14Å; L141-L144 PolarHBondContact O-N 3.2Å; L141-L144 VanDerWaalsContact O-N 3.12Å; L141-L145 PolarHBondContact O-N 3.24Å; L141-A156 HydrophobicContact CD2-CB 4.26Å; L141-A159 HydrophobicContact CD1-CB 4.28Å; L141-A159 HydrophobicContact CD2-CB 4.25Å; L141-L160 HydrophobicContact CB-CD1 4.05Å; L141-L160 HydrophobicContact CB-CD2 3.79Å; L141-L160 HydrophobicContact CB-CG 3.87Å; L141-L160 HydrophobicContact CD1-CD2 3.83Å; L141-L160 HydrophobicContact CD1-CG 4.08Å; L141-L160 HydrophobicContact CG-CD2 4.48Å; L141-I163 HydrophobicContact CD1-CD1 3.75Å |
| 142 | C | 95.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | L138 P139 K140 L144 L145 K186 | L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.07Å; L138-C142 PolarHBondContact O-SG 2.86Å; P139-C142 PolarHBondContact O-N 2.7Å; K140-C142 VanDerWaalsContact C-N 3.31Å; K140-C142 PolarHBondContact O-N 3.18Å; C142-L144 VanDerWaalsContact C-N 3.33Å; C142-L145 WeakPolarHBondContact O-CB 3.43Å; C142-L145 PolarHBondContact O-N 2.73Å; C142-K186 HydrophobicContact CB-CD 4.43Å; C142-K186 VanDerWaalsContact O-CE 3.29Å; C142-K186 WeakPolarHBondContact O-CE 3.23Å; C142-K186 PolarHBondContact O-NZ 3.18Å |
| 143 | S | 96.1 | Very high | 94.1 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 175.9 | 74.9 | 0 | 0 | 0 | 0 | 112.8 | P139 K140 L141 L145 D146 | P139-S143 PolarHBondContact O-N 2.74Å; K140-S143 PolarHBondContact O-N 2.79Å; K140-S143 VanDerWaalsContact O-N 3.11Å; K140-S143 PolarHBondContact O-OG 3.49Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.17Å; S143-L145 PolarHBondContact O-N 3.16Å; S143-D146 PolarHBondContact O-N 3.03Å; S143-D146 VanDerWaalsContact O-N 3.14Å |
| 144 | L | 96.3 | Very high | 94.3 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70 | -20.9 | 179.2 | -71.5 | 164 | 0 | 0 | 0 | 112.5 | I107 K140 L141 C142 D146 S147 T152 A156 | I107-L144 HydrophobicContact CG2-CD1 4.1Å; K140-L144 HydrophobicContact CG-CD1 4.12Å; K140-L144 VanDerWaalsContact O-CG 3.3Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 3.08Å; L141-L144 HydrophobicContact CD2-CD1 4.39Å; L141-L144 WeakPolarHBondContact O-CB 3.14Å; L141-L144 PolarHBondContact O-N 3.2Å; L141-L144 VanDerWaalsContact O-N 3.12Å; C142-L144 VanDerWaalsContact C-N 3.33Å; L144-D146 PolarHBondContact O-N 3.08Å; L144-S147 WeakPolarHBondContact O-CB 3.44Å; L144-S147 PolarHBondContact O-N 3.31Å; L144-S147 VanDerWaalsContact O-N 3.16Å; L144-T152 HydrophobicContact CB-CG2 4.19Å; L144-T152 HydrophobicContact CD2-CG2 3.66Å; L144-T152 HydrophobicContact CG-CG2 4.47Å; L144-A156 HydrophobicContact CB-CB 3.82Å |
| 145 | L | 96.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.8 | 170.7 | -60.7 | -173.7 | 0 | 0 | 0 | 113 | L141 C142 S143 S147 C153 A156 F157 L160 F187 F190 | L141-L145 PolarHBondContact O-N 3.24Å; C142-L145 WeakPolarHBondContact O-CB 3.43Å; C142-L145 PolarHBondContact O-N 2.73Å; S143-L145 PolarHBondContact O-N 3.16Å; L145-S147 PolarHBondContact O-N 3.37Å; L145-C153 PolarHBondContact O-SG 2.76Å; L145-C153 VanDerWaalsContact O-SG 3.32Å; L145-A156 HydrophobicContact CD2-CB 3.84Å; L145-F157 HydrophobicContact CD1-CD2 4.42Å; L145-F157 HydrophobicContact CD1-CE1 4.37Å; L145-F157 HydrophobicContact CD1-CE2 3.99Å; L145-F157 HydrophobicContact CD1-CZ 3.97Å; L145-F157 HydrophobicContact CD2-CB 4.21Å; L145-F157 HydrophobicContact CD2-CD1 4.43Å; L145-F157 HydrophobicContact CD2-CD2 3.41Å; L145-F157 VanDerWaalsContact CD2-CD2 3.41Å; L145-F157 HydrophobicContact CD2-CE2 3.77Å; L145-F157 HydrophobicContact CD2-CG 3.78Å; L145-F157 HydrophobicContact CD2-CZ 4.43Å; L145-F157 HydrophobicContact CG-CD2 4.47Å; L145-F157 HydrophobicContact CG-CE2 4.4Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.18Å; L145-L160 HydrophobicContact CG-CD1 4.12Å; L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.05Å; L145-F190 HydrophobicContact CB-CE2 4.05Å; L145-F190 HydrophobicContact CB-CZ 3.78Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CZ 3.31Å |
| 146 | D | 95.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 46 Ų | 46 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.3 | 178 | -51.8 | -34.6 | 0 | 0 | 0 | 112.4 | S143 L144 K186 | S143-D146 PolarHBondContact O-N 3.03Å; S143-D146 VanDerWaalsContact O-N 3.14Å; L144-D146 PolarHBondContact O-N 3.08Å; D146-K186 WeakPolarHBondContact OD1-CE 3.36Å; D146-K186 IonicContact OD1-NZ 3.18Å; D146-K186 PolarHBondContact OD1-NZ 3.24Å; D146-K186 IonicContact OD2-NZ 2.75Å; D146-K186 PolarHBondContact OD2-NZ 3.19Å |
| 147 | S | 94.8 | Very high | 95 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | trans | -67.3 | 139.1 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | L144 L145 D149 | L144-S147 WeakPolarHBondContact O-CB 3.44Å; L144-S147 PolarHBondContact O-N 3.31Å; L144-S147 VanDerWaalsContact O-N 3.16Å; L145-S147 PolarHBondContact O-N 3.37Å; S147-D149 PolarHBondContact O-N 3.33Å; S147-D149 PolarHBondContact OG-N 3.35Å | ||
| 148 | E | 91.8 | Very high | 94.8 | Very high | 194 Ų | 194 | 42.8 Ų | 42.8 | 91% | 0.907 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -68.1 | -21 | 171.5 | -63.7 | -69.4 | 165.7 | 0 | 0 | 112.4 | Y150 | E148-Y150 PolarHBondContact O-N 3.3Š|
| 149 | D | 94.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | trans | -80 | 115.1 | 175 | 174.8 | 55.6 | 0 | 0 | 0 | 111 | S147 N151 T152 C153 | S147-D149 PolarHBondContact O-N 3.33Å; S147-D149 PolarHBondContact OG-N 3.35Å; D149-N151 VanDerWaalsContact C-N 3.27Å; D149-N151 PolarHBondContact O-N 2.76Å; D149-N151 PolarHBondContact OD2-N 2.91Å; D149-T152 WeakPolarHBondContact O-CB 3.22Å; D149-T152 PolarHBondContact O-N 3.04Å; D149-T152 VanDerWaalsContact OD2-CB 3.31Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.32Å; D149-T152 PolarHBondContact OD2-OG1 3.47Å; D149-C153 PolarHBondContact O-N 3.13Å; D149-C153 VanDerWaalsContact O-N 3.09Å | ||
| 150 | Y | 94.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 37% | 0.373 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.2 | -42.8 | 179.1 | 173.6 | -101.9 | 0 | 0 | 0 | 112.8 | E148 T152 C153 E154 S195 I198 | E148-Y150 PolarHBondContact O-N 3.3Å; Y150-T152 VanDerWaalsContact C-N 3.35Å; Y150-T152 PolarHBondContact O-N 2.96Å; Y150-C153 PolarHBondContact O-N 3Å; Y150-E154 HydrophobicContact CE1-CB 4.46Å; Y150-E154 WeakPolarHBondContact O-CB 3.47Å; Y150-E154 PolarHBondContact O-N 3.46Å; Y150-S195 WeakPolarHBondContact CE2-OG 3.36Å; Y150-S195 PolarHBondContact OH-OG 3.42Å; Y150-S195 VanDerWaalsContact OH-OG 3.11Å; Y150-I198 HydrophobicContact CE2-CD1 4.41Å; Y150-I198 HydrophobicContact CE2-CG1 4.03Å |
| 151 | N | 94.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | -176 | -65.5 | -46.8 | 0 | 0 | 0 | 111.8 | G108 R115 D149 G155 | G108-N151 WeakPolarHBondContact O-CB 3.35Å; R115-N151 VanDerWaalsContact NH1-CA 3.33Å; R115-N151 PolarHBondContact NH1-OD1 3.05Å; R115-N151 VanDerWaalsContact NH2-CG 3.3Å; R115-N151 PolarHBondContact NH2-OD1 3.15Å; D149-N151 VanDerWaalsContact C-N 3.27Å; D149-N151 PolarHBondContact O-N 2.76Å; D149-N151 PolarHBondContact OD2-N 2.91Å; N151-G155 PolarHBondContact O-N 2.69Å |
| 152 | T | 95.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 174.1 | -60 | 0 | 0 | 0 | 0 | 111.5 | I107 L144 D149 Y150 A156 | I107-T152 HydrophobicContact CG2-CG2 4.22Å; L144-T152 HydrophobicContact CB-CG2 4.19Å; L144-T152 HydrophobicContact CD2-CG2 3.66Å; L144-T152 HydrophobicContact CG-CG2 4.47Å; D149-T152 WeakPolarHBondContact O-CB 3.22Å; D149-T152 PolarHBondContact O-N 3.04Å; D149-T152 VanDerWaalsContact OD2-CB 3.31Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.32Å; D149-T152 PolarHBondContact OD2-OG1 3.47Å; Y150-T152 VanDerWaalsContact C-N 3.35Å; Y150-T152 PolarHBondContact O-N 2.96Å; T152-A156 VanDerWaalsContact O-CB 3.29Å; T152-A156 WeakPolarHBondContact O-CB 3.48Å; T152-A156 PolarHBondContact O-N 3.5Å |
| 153 | C | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | L145 D149 Y150 A156 F157 | L145-C153 PolarHBondContact O-SG 2.76Å; L145-C153 VanDerWaalsContact O-SG 3.32Å; D149-C153 PolarHBondContact O-N 3.13Å; D149-C153 VanDerWaalsContact O-N 3.09Å; Y150-C153 PolarHBondContact O-N 3Å; C153-A156 PolarHBondContact O-N 2.73Å; C153-F157 PolarHBondContact O-N 2.77Å |
| 154 | E | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | -179.4 | -173.9 | -90.6 | 174.2 | 0 | 0 | 112.6 | R115 Y150 A156 F157 G158 K197 I198 H201 | R115-E154 VanDerWaalsContact CD-OE2 3.31Å; R115-E154 WeakPolarHBondContact CD-OE2 3.29Å; R115-E154 IonicContact CZ-OE2 2.98Å; R115-E154 IonicContact NE-OE2 3.94Å; R115-E154 IonicContact NH1-OE2 3.09Å; R115-E154 PolarHBondContact NH1-OE2 3.45Å; Y150-E154 HydrophobicContact CE1-CB 4.46Å; Y150-E154 WeakPolarHBondContact O-CB 3.47Å; Y150-E154 PolarHBondContact O-N 3.46Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.97Å; E154-F157 PolarHBondContact O-N 3.26Å; E154-G158 PolarHBondContact O-N 3.31Å; E154-K197 HydrophobicContact CG-CD 4.06Å; E154-K197 WeakPolarHBondContact OE1-CE 3.41Å; E154-K197 IonicContact OE1-NZ 3.88Å; E154-K197 PolarHBondContact OE1-NZ 2.91Å; E154-I198 HydrophobicContact CB-CD1 3.78Å; E154-I198 HydrophobicContact CG-CD1 4.2Å; E154-H201 IonicContact OE1-NE2 3.75Å |
| 155 | G | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N151 G158 A159 | N151-G155 PolarHBondContact O-N 2.69Å; G155-G158 PolarHBondContact O-N 3.36Å; G155-A159 PolarHBondContact O-N 3.18Å; G155-A159 VanDerWaalsContact O-N 3.1Å |
| 156 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I107 L141 L144 L145 T152 C153 E154 A159 L160 | I107-A156 HydrophobicContact CD1-CB 4.19Å; L141-A156 HydrophobicContact CD2-CB 4.26Å; L144-A156 HydrophobicContact CB-CB 3.82Å; L145-A156 HydrophobicContact CD2-CB 3.84Å; T152-A156 VanDerWaalsContact O-CB 3.29Å; T152-A156 WeakPolarHBondContact O-CB 3.48Å; T152-A156 PolarHBondContact O-N 3.5Å; C153-A156 PolarHBondContact O-N 2.73Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.97Å; A156-A159 PolarHBondContact O-N 3.07Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 WeakPolarHBondContact O-CG 3.31Å; A156-L160 PolarHBondContact O-N 3.16Å |
| 157 | F | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 173.9 | -110.2 | -57.7 | 0 | 0 | 0 | 112.5 | L145 C153 E154 A159 L160 Q161 F187 F190 I198 H201 A202 | L145-F157 HydrophobicContact CD1-CD2 4.42Å; L145-F157 HydrophobicContact CD1-CE1 4.37Å; L145-F157 HydrophobicContact CD1-CE2 3.99Å; L145-F157 HydrophobicContact CD1-CZ 3.97Å; L145-F157 HydrophobicContact CD2-CB 4.21Å; L145-F157 HydrophobicContact CD2-CD1 4.43Å; L145-F157 HydrophobicContact CD2-CD2 3.41Å; L145-F157 VanDerWaalsContact CD2-CD2 3.41Å; L145-F157 HydrophobicContact CD2-CE2 3.77Å; L145-F157 HydrophobicContact CD2-CG 3.78Å; L145-F157 HydrophobicContact CD2-CZ 4.43Å; L145-F157 HydrophobicContact CG-CD2 4.47Å; L145-F157 HydrophobicContact CG-CE2 4.4Å; C153-F157 PolarHBondContact O-N 2.77Å; E154-F157 PolarHBondContact O-N 3.26Å; F157-A159 VanDerWaalsContact C-N 3.32Å; F157-A159 PolarHBondContact O-N 3.12Å; F157-L160 PolarHBondContact O-N 3.38Å; F157-Q161 WeakPolarHBondContact O-CB 3.36Å; F157-Q161 PolarHBondContact O-N 3.1Å; F157-F187 AromaticContact CE1-CD1 3.66Å; F157-F187 HydrophobicContact CE1-CD1 3.66Å; F157-F187 HydrophobicContact CE1-CE1 4.02Å; F157-F187 HydrophobicContact CE1-CG 4.4Å; F157-F187 AromaticContact CZ-CD1 3.95Å; F157-F187 HydrophobicContact CZ-CD1 3.95Å; F157-F190 HydrophobicContact CE2-CB 3.9Å; F157-F190 AromaticContact CE2-CD1 3.86Å; F157-F190 HydrophobicContact CE2-CD1 3.86Å; F157-F190 AromaticContact CE2-CD2 3.89Å; F157-F190 HydrophobicContact CE2-CD2 3.89Å; F157-F190 HydrophobicContact CE2-CE1 4.37Å; F157-F190 HydrophobicContact CE2-CE2 4.41Å; F157-F190 AromaticContact CE2-CG 3.6Å; F157-F190 HydrophobicContact CE2-CG 3.6Å; F157-F190 HydrophobicContact CZ-CB 3.85Å; F157-F190 AromaticContact CZ-CD2 3.88Å; F157-F190 HydrophobicContact CZ-CD2 3.88Å; F157-F190 AromaticContact CZ-CG 3.85Å; F157-F190 HydrophobicContact CZ-CG 3.85Å; F157-I198 HydrophobicContact CD2-CD1 4.19Å; F157-I198 HydrophobicContact CD2-CG2 3.93Å; F157-I198 HydrophobicContact CE2-CG2 3.78Å; F157-H201 HydrophobicContact CB-CB 3.77Å; F157-H201 HydrophobicContact CD1-CB 3.62Å; F157-H201 HydrophobicContact CE1-CB 4.38Å; F157-H201 HydrophobicContact CG-CB 3.74Å; F157-A202 HydrophobicContact CE1-CB 4.11Å; F157-A202 HydrophobicContact CZ-CB 3.93Å |
| 158 | G | 91.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E154 G155 K162 | E154-G158 PolarHBondContact O-N 3.31Å; G155-G158 PolarHBondContact O-N 3.36Å; G158-K162 PolarHBondContact O-N 3.45Å |
| 159 | A | 93.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I107 I122 L141 G155 A156 F157 K162 I163 | I107-A159 HydrophobicContact CD1-CB 4.2Å; I122-A159 HydrophobicContact CG2-CB 4.36Å; L141-A159 HydrophobicContact CD1-CB 4.28Å; L141-A159 HydrophobicContact CD2-CB 4.25Å; G155-A159 PolarHBondContact O-N 3.18Å; G155-A159 VanDerWaalsContact O-N 3.1Å; A156-A159 PolarHBondContact O-N 3.07Å; F157-A159 VanDerWaalsContact C-N 3.32Å; F157-A159 PolarHBondContact O-N 3.12Å; A159-K162 PolarHBondContact O-N 3.25Å; A159-I163 WeakPolarHBondContact O-CD1 3.45Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.49Å |
| 160 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.8 | -76 | 170.3 | 0 | 0 | 0 | 112.3 | L138 L141 L145 A156 F157 K162 I163 C164 M183 F187 | L138-L160 HydrophobicContact CD2-CD2 4.25Å; L141-L160 HydrophobicContact CB-CD1 4.05Å; L141-L160 HydrophobicContact CB-CD2 3.79Å; L141-L160 HydrophobicContact CB-CG 3.87Å; L141-L160 HydrophobicContact CD1-CD2 3.83Å; L141-L160 HydrophobicContact CD1-CG 4.08Å; L141-L160 HydrophobicContact CG-CD2 4.48Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.18Å; L145-L160 HydrophobicContact CG-CD1 4.12Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 WeakPolarHBondContact O-CG 3.31Å; A156-L160 PolarHBondContact O-N 3.16Å; F157-L160 PolarHBondContact O-N 3.38Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.98Å; L160-I163 PolarHBondContact O-N 3.2Å; L160-C164 PolarHBondContact O-N 3.49Å; L160-C164 PolarHBondContact O-SG 3.01Å; L160-M183 HydrophobicContact CD2-CE 4.04Å; L160-F187 HydrophobicContact CD1-CE1 4Å; L160-F187 HydrophobicContact CD1-CZ 4.34Å |
| 161 | Q | 94 | Very high | 92 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.4 | -49.8 | 176 | -179 | -173 | -22.9 | 0 | 0 | 110.2 | F157 I163 C164 E165 H201 A204 C205 | F157-Q161 WeakPolarHBondContact O-CB 3.36Å; F157-Q161 PolarHBondContact O-N 3.1Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.25Å; Q161-C164 WeakPolarHBondContact O-CB 3.05Å; Q161-C164 PolarHBondContact O-N 3.31Å; Q161-C164 VanDerWaalsContact O-N 3.08Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.23Å; Q161-E165 PolarHBondContact NE2-OE1 3.4Å; Q161-E165 WeakPolarHBondContact O-CG 3.3Å; Q161-E165 PolarHBondContact O-N 3Å; Q161-H201 PolarHBondContact OE1-CE1 3.31Å; Q161-H201 PolarHBondContact OE1-ND1 3.17Å; Q161-A204 HydrophobicContact CG-CB 4.22Å; Q161-C205 WeakPolarHBondContact CA-SG 3.4Å |
| 162 | K | 90.1 | Very high | 91.5 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 34% | 0.335 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -34.6 | -177.7 | -169.5 | 50.6 | 172.8 | 160.2 | 0 | 113 | T123 G158 A159 L160 C164 E165 D166 | T123-K162 HydrophobicContact CG2-CB 3.59Å; T123-K162 HydrophobicContact CG2-CG 3.69Å; G158-K162 PolarHBondContact O-N 3.45Å; A159-K162 PolarHBondContact O-N 3.25Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.98Å; K162-C164 VanDerWaalsContact C-N 3.34Å; K162-E165 HydrophobicContact CD-CB 4.41Å; K162-E165 WeakPolarHBondContact CD-OE2 3.22Å; K162-E165 IonicContact NZ-OE2 3.46Å; K162-E165 PolarHBondContact NZ-OE2 3.17Å; K162-E165 PolarHBondContact O-N 3.07Å; K162-D166 VanDerWaalsContact CE-OD1 3.22Å; K162-D166 WeakPolarHBondContact CE-OD1 3.31Å; K162-D166 VanDerWaalsContact CE-OD2 3.28Å; K162-D166 WeakPolarHBondContact CE-OD2 3.26Å; K162-D166 IonicContact NZ-OD1 2.74Å; K162-D166 PolarHBondContact NZ-OD1 3.18Å; K162-D166 IonicContact NZ-OD2 2.71Å; K162-D166 WeakPolarHBondContact O-CB 3.34Å; K162-D166 PolarHBondContact O-N 3.14Å |
| 163 | I | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 171.4 | -68 | 164.1 | 0 | 0 | 0 | 111.1 | T123 A126 L131 L137 L138 L141 A159 L160 Q161 S167 L171 | T123-I163 HydrophobicContact CG2-CG1 4.36Å; A126-I163 HydrophobicContact CB-CG1 4.4Å; L131-I163 HydrophobicContact CD1-CG2 4.35Å; L131-I163 HydrophobicContact CD2-CG2 3.98Å; L137-I163 HydrophobicContact CD2-CD1 4.03Å; L138-I163 HydrophobicContact CD2-CD1 4.47Å; L138-I163 HydrophobicContact CD2-CG2 4.06Å; L141-I163 HydrophobicContact CD1-CD1 3.75Å; A159-I163 WeakPolarHBondContact O-CD1 3.45Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.49Å; L160-I163 PolarHBondContact O-N 3.2Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.25Å; I163-S167 WeakPolarHBondContact O-CA 3.31Å; I163-S167 WeakPolarHBondContact O-CB 3.49Å; I163-S167 PolarHBondContact O-N 2.96Å; I163-L171 HydrophobicContact CG2-CD1 4.28Å |
| 164 | C | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 176 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | L160 Q161 K162 A168 L171 Q208 F209 | L160-C164 PolarHBondContact O-N 3.49Å; L160-C164 PolarHBondContact O-SG 3.01Å; Q161-C164 WeakPolarHBondContact O-CB 3.05Å; Q161-C164 PolarHBondContact O-N 3.31Å; Q161-C164 VanDerWaalsContact O-N 3.08Å; K162-C164 VanDerWaalsContact C-N 3.34Å; C164-A168 WeakPolarHBondContact O-CA 3.23Å; C164-A168 WeakPolarHBondContact O-CB 3.38Å; C164-A168 PolarHBondContact O-N 2.83Å; C164-L171 HydrophobicContact CB-CD1 4.5Å; C164-Q208 HydrophobicContact CB-CB 4.26Å; C164-Q208 HydrophobicContact CB-CG 3.83Å; C164-F209 HydrophobicContact CB-CE2 3.97Å; C164-F209 HydrophobicContact CB-CZ 3.84Å |
| 165 | E | 90 | Very high | 89.7 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 175.5 | -70.7 | 169.6 | -169.4 | 0 | 0 | 112.2 | Q161 K162 Q208 | Q161-E165 WeakPolarHBondContact CG-OE1 3.23Å; Q161-E165 PolarHBondContact NE2-OE1 3.4Å; Q161-E165 WeakPolarHBondContact O-CG 3.3Å; Q161-E165 PolarHBondContact O-N 3Å; K162-E165 HydrophobicContact CD-CB 4.41Å; K162-E165 WeakPolarHBondContact CD-OE2 3.22Å; K162-E165 IonicContact NZ-OE2 3.46Å; K162-E165 PolarHBondContact NZ-OE2 3.17Å; K162-E165 PolarHBondContact O-N 3.07Å; E165-Q208 HydrophobicContact CG-CG 4.44Å |
| 166 | D | 87 | Confident | 89.1 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -86.4 | -10.8 | -171.3 | -63.8 | -12.8 | 0 | 0 | 0 | 113.1 | K162 | K162-D166 VanDerWaalsContact CE-OD1 3.22Å; K162-D166 WeakPolarHBondContact CE-OD1 3.31Å; K162-D166 VanDerWaalsContact CE-OD2 3.28Å; K162-D166 WeakPolarHBondContact CE-OD2 3.26Å; K162-D166 IonicContact NZ-OD1 2.74Å; K162-D166 PolarHBondContact NZ-OD1 3.18Å; K162-D166 IonicContact NZ-OD2 2.71Å; K162-D166 WeakPolarHBondContact O-CB 3.34Å; K162-D166 PolarHBondContact O-N 3.14Å |
| 167 | S | 89.6 | Confident | 88.7 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -146.2 | 28.7 | -171.4 | -57.3 | 0 | 0 | 0 | 0 | 114 | L131 I163 E169 I170 L171 | L131-S167 VanDerWaalsContact CD1-CB 3.42Å; L131-S167 WeakPolarHBondContact CD1-OG 3.43Å; I163-S167 WeakPolarHBondContact O-CA 3.31Å; I163-S167 WeakPolarHBondContact O-CB 3.49Å; I163-S167 PolarHBondContact O-N 2.96Å; S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact O-N 3.21Å; S167-I170 PolarHBondContact O-N 2.91Å; S167-L171 VanDerWaalsContact O-CG 3.3Å; S167-L171 WeakPolarHBondContact O-CG 3.33Å; S167-L171 PolarHBondContact O-N 3.29Å |
| 168 | A | 88.8 | Confident | 88.3 | Confident | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.4 | -47.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C164 I170 L171 D172 F209 | C164-A168 WeakPolarHBondContact O-CA 3.23Å; C164-A168 WeakPolarHBondContact O-CB 3.38Å; C164-A168 PolarHBondContact O-N 2.83Å; A168-I170 PolarHBondContact O-N 3.09Å; A168-L171 PolarHBondContact O-N 3.06Å; A168-D172 PolarHBondContact O-N 3.46Å; A168-D172 VanDerWaalsContact O-N 3.1Å; A168-F209 HydrophobicContact CB-CE1 4.1Å |
| 169 | E | 86.8 | Confident | 88.4 | Confident | 174 Ų | 174 | 56.5 Ų | 56.5 | 81% | 0.813 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | -178.8 | -63.1 | -178.6 | 176.6 | 0 | 0 | 112.7 | S167 L171 D172 S173 | S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact O-N 3.21Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.13Å; E169-D172 PolarHBondContact O-N 3.37Å; E169-S173 PolarHBondContact O-N 3.29Å |
| 170 | I | 87.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 32% | 0.323 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | -179.9 | -58.8 | 173 | 0 | 0 | 0 | 109.9 | S167 A168 D172 S173 L176 | S167-I170 PolarHBondContact O-N 2.91Å; A168-I170 PolarHBondContact O-N 3.09Å; I170-D172 VanDerWaalsContact C-N 3.31Å; I170-D172 PolarHBondContact O-N 3.35Å; I170-S173 WeakPolarHBondContact O-CB 3.14Å; I170-S173 PolarHBondContact O-N 3.43Å; I170-S173 PolarHBondContact O-OG 3.35Å; I170-L176 HydrophobicContact CG2-CD1 3.9Å; I170-L176 HydrophobicContact CG2-CG 4.39Å |
| 171 | L | 87.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -32.4 | 178.3 | -67.4 | 170.6 | 0 | 0 | 0 | 112.7 | L138 I163 C164 S167 A168 E169 S173 L176 P179 L180 F209 | L138-L171 HydrophobicContact CD1-CD2 3.51Å; L138-L171 HydrophobicContact CD2-CD2 4.32Å; I163-L171 HydrophobicContact CG2-CD1 4.28Å; C164-L171 HydrophobicContact CB-CD1 4.5Å; S167-L171 VanDerWaalsContact O-CG 3.3Å; S167-L171 WeakPolarHBondContact O-CG 3.33Å; S167-L171 PolarHBondContact O-N 3.29Å; A168-L171 PolarHBondContact O-N 3.06Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.13Å; L171-S173 VanDerWaalsContact C-N 3.34Å; L171-L176 HydrophobicContact CD2-CD1 4.36Å; L171-P179 HydrophobicContact CD2-CG 4.01Å; L171-P179 WeakPolarHBondContact O-CD 3.37Å; L171-L180 HydrophobicContact CB-CD1 3.94Å; L171-L180 HydrophobicContact CB-CD2 3.94Å; L171-L180 HydrophobicContact CB-CG 3.93Å; L171-L180 HydrophobicContact CD1-CD2 4.43Å; L171-L180 WeakPolarHBondContact O-CD1 3.45Å; L171-L180 WeakPolarHBondContact O-CG 3.44Å; L171-F209 HydrophobicContact CB-CE1 4.25Å; L171-F209 HydrophobicContact CB-CZ 4.48Å; L171-F209 HydrophobicContact CD1-CE1 4.29Å; L171-F209 HydrophobicContact CD1-CZ 3.83Å |
| 172 | D | 84.3 | Confident | 88.4 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.4 | -15.3 | 175.4 | -151.9 | 10.8 | 0 | 0 | 0 | 112.8 | A168 E169 I170 L180 T214 | A168-D172 PolarHBondContact O-N 3.46Å; A168-D172 VanDerWaalsContact O-N 3.1Å; E169-D172 PolarHBondContact O-N 3.37Å; I170-D172 VanDerWaalsContact C-N 3.31Å; I170-D172 PolarHBondContact O-N 3.35Å; D172-L180 HydrophobicContact CB-CD1 4.05Å; D172-T214 VanDerWaalsContact CG-OG1 3.22Å; D172-T214 WeakPolarHBondContact OD1-CG2 3.44Å; D172-T214 WeakPolarHBondContact OD2-CB 3.44Å; D172-T214 PolarHBondContact OD2-OG1 3.24Å |
| 173 | S | 82.5 | Confident | 88.7 | Confident | 35 Ų | 35 | 61 Ų | 61 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74.5 | 158.8 | 177.3 | 83.5 | 0 | 0 | 0 | 0 | 113.5 | E169 I170 L171 V175 | E169-S173 PolarHBondContact O-N 3.29Å; I170-S173 WeakPolarHBondContact O-CB 3.14Å; I170-S173 PolarHBondContact O-N 3.43Å; I170-S173 PolarHBondContact O-OG 3.35Å; L171-S173 VanDerWaalsContact C-N 3.34Å; S173-V175 PolarHBondContact O-N 3.05Å; S173-V175 WeakPolarHBondContact OG-CB 3.49Å; S173-V175 WeakPolarHBondContact OG-CG2 3.32Å; S173-V175 PolarHBondContact OG-N 3.19Å |
| 174 | D | 81.6 | Confident | 88.9 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -72 | -5 | 175.1 | -74.5 | -21.3 | 0 | 0 | 0 | 113.3 | L176 D177 R178 | D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 3.24Å; D174-D177 PolarHBondContact O-N 3.07Å; D174-R178 IonicContact OD1-CZ 3.85Å; D174-R178 VanDerWaalsContact OD1-CZ 3.26Å; D174-R178 IonicContact OD1-NE 2.74Å; D174-R178 PolarHBondContact OD1-NE 2.92Å; D174-R178 IonicContact OD1-NH2 3.97Å; D174-R178 PolarHBondContact OD1-NH2 3.42Å; D174-R178 IonicContact OD2-NH2 2.85Å; D174-R178 PolarHBondContact OD2-NH2 2.87Å |
| 175 | V | 82.4 | Confident | 89 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62.3 | -33.4 | -175 | 178 | 0 | 0 | 0 | 0 | 112.5 | Q132 S173 | Q132-V175 HydrophobicContact CB-CG1 4.5Å; S173-V175 PolarHBondContact O-N 3.05Å; S173-V175 WeakPolarHBondContact OG-CB 3.49Å; S173-V175 WeakPolarHBondContact OG-CG2 3.32Å; S173-V175 PolarHBondContact OG-N 3.19Å |
| 176 | L | 81.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 18% | 0.183 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -107.5 | 20.7 | -176.1 | -65.2 | 175.6 | 0 | 0 | 0 | 113.6 | L131 Q132 L138 I170 L171 D174 R178 P179 | L131-L176 HydrophobicContact CB-CD1 3.95Å; Q132-L176 HydrophobicContact CB-CD2 4.29Å; L138-L176 HydrophobicContact CD1-CD1 4.24Å; I170-L176 HydrophobicContact CG2-CD1 3.9Å; I170-L176 HydrophobicContact CG2-CG 4.39Å; L171-L176 HydrophobicContact CD2-CD1 4.36Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 3.24Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.21Å; L176-P179 HydrophobicContact CB-CG 3.96Å; L176-P179 HydrophobicContact CD1-CG 4.49Å |
| 177 | D | 86.8 | Confident | 89.9 | Confident | 151 Ų | 151 | 56.7 Ų | 56.7 | 81% | 0.807 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 41 | -176.9 | -161.9 | 29.4 | 0 | 0 | 0 | 113.1 | D174 | D174-D177 PolarHBondContact O-N 3.07Š|
| 178 | R | 87.2 | Confident | 90.2 | Very high | 133 Ų | 133 | 56.4 Ų | 56.4 | 50% | 0.502 | 30% | 0.295 | S | S | . | . | trans | 51.9 | 62 | 175.4 | -57 | -177.3 | 178.4 | -172.5 | -4.2 | 114.1 | D174 L176 L180 N181 | D174-R178 IonicContact OD1-CZ 3.85Å; D174-R178 VanDerWaalsContact OD1-CZ 3.26Å; D174-R178 IonicContact OD1-NE 2.74Å; D174-R178 PolarHBondContact OD1-NE 2.92Å; D174-R178 IonicContact OD1-NH2 3.97Å; D174-R178 PolarHBondContact OD1-NH2 3.42Å; D174-R178 IonicContact OD2-NH2 2.85Å; D174-R178 PolarHBondContact OD2-NH2 2.87Å; L176-R178 VanDerWaalsContact C-N 3.32Å; L176-R178 PolarHBondContact O-N 3.21Å; R178-L180 PolarHBondContact O-N 3.43Å; R178-L180 VanDerWaalsContact O-N 3.16Å; R178-N181 VanDerWaalsContact CB-ND2 3.3Å; R178-N181 WeakPolarHBondContact CB-ND2 3.41Å; R178-N181 WeakPolarHBondContact O-CB 3.44Å; R178-N181 PolarHBondContact O-N 3.46Å | ||
| 179 | P | 92.5 | Very high | 90.6 | Very high | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.8 | -175.4 | 27.9 | -35.8 | 0 | 0 | 0 | 113.2 | L138 L171 L176 N181 I182 M183 | L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 4Å; L171-P179 HydrophobicContact CD2-CG 4.01Å; L171-P179 WeakPolarHBondContact O-CD 3.37Å; L176-P179 HydrophobicContact CB-CG 3.96Å; L176-P179 HydrophobicContact CD1-CG 4.49Å; P179-N181 PolarHBondContact O-N 3.38Å; P179-I182 PolarHBondContact O-N 3.23Å; P179-M183 HydrophobicContact CB-SD 3.94Å; P179-M183 WeakPolarHBondContact O-CG 3.41Å; P179-M183 PolarHBondContact O-N 2.76Å |
| 180 | L | 94.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -25 | -179.3 | -64.7 | -179.8 | 0 | 0 | 0 | 114.1 | L171 D172 R178 I182 M183 I184 F209 T214 A216 | L171-L180 HydrophobicContact CB-CD1 3.94Å; L171-L180 HydrophobicContact CB-CD2 3.94Å; L171-L180 HydrophobicContact CB-CG 3.93Å; L171-L180 HydrophobicContact CD1-CD2 4.43Å; L171-L180 WeakPolarHBondContact O-CD1 3.45Å; L171-L180 WeakPolarHBondContact O-CG 3.44Å; D172-L180 HydrophobicContact CB-CD1 4.05Å; R178-L180 PolarHBondContact O-N 3.43Å; R178-L180 VanDerWaalsContact O-N 3.16Å; L180-I182 PolarHBondContact O-N 3.01Å; L180-I182 VanDerWaalsContact O-N 3.14Å; L180-M183 HydrophobicContact CD2-CE 4.35Å; L180-M183 HydrophobicContact CD2-SD 4.29Å; L180-M183 PolarHBondContact O-N 3.2Å; L180-I184 HydrophobicContact CB-CD1 4.18Å; L180-I184 HydrophobicContact CB-CG1 4.34Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 PolarHBondContact O-N 3.38Å; L180-F209 HydrophobicContact CD1-CD1 3.62Å; L180-F209 HydrophobicContact CD1-CE1 3.5Å; L180-F209 HydrophobicContact CD1-CG 4.3Å; L180-F209 HydrophobicContact CD1-CZ 4.11Å; L180-F209 HydrophobicContact CD2-CD1 4.41Å; L180-F209 HydrophobicContact CD2-CD2 4.42Å; L180-F209 HydrophobicContact CD2-CE1 3.81Å; L180-F209 HydrophobicContact CD2-CE2 3.83Å; L180-F209 HydrophobicContact CD2-CZ 3.5Å; L180-F209 VanDerWaalsContact CD2-CZ 3.5Å; L180-F209 HydrophobicContact CG-CE1 4.32Å; L180-F209 HydrophobicContact CG-CZ 4.47Å; L180-T214 HydrophobicContact CB-CG2 4.44Å; L180-T214 HydrophobicContact CD1-CG2 3.73Å; L180-A216 HydrophobicContact CB-CB 4.21Å |
| 181 | N | 94.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -22.6 | 174.6 | -70.8 | -29.9 | 0 | 0 | 0 | 112.9 | R178 P179 P185 | R178-N181 VanDerWaalsContact CB-ND2 3.3Å; R178-N181 WeakPolarHBondContact CB-ND2 3.41Å; R178-N181 WeakPolarHBondContact O-CB 3.44Å; R178-N181 PolarHBondContact O-N 3.46Å; P179-N181 PolarHBondContact O-N 3.38Å; N181-P185 WeakPolarHBondContact O-CG 3.34Å |
| 182 | I | 94.4 | Very high | 92 | Very high | 124 Ų | 124 | 58.7 Ų | 58.7 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -102.5 | -42.2 | 178.4 | -56.7 | 173.7 | 0 | 0 | 0 | 110.2 | P179 L180 K186 | P179-I182 PolarHBondContact O-N 3.23Å; L180-I182 PolarHBondContact O-N 3.01Å; L180-I182 VanDerWaalsContact O-N 3.14Å; I182-K186 WeakPolarHBondContact O-CB 3.32Å; I182-K186 PolarHBondContact O-N 3.08Å |
| 183 | M | 96.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -48.8 | -174.1 | -66.7 | 168.9 | 59.7 | 0 | 0 | 112.6 | L138 L160 P179 L180 K186 F187 | L138-M183 HydrophobicContact CB-SD 4.46Å; L138-M183 HydrophobicContact CD1-SD 4.31Å; L138-M183 HydrophobicContact CD2-CE 4.46Å; L160-M183 HydrophobicContact CD2-CE 4.04Å; P179-M183 HydrophobicContact CB-SD 3.94Å; P179-M183 WeakPolarHBondContact O-CG 3.41Å; P179-M183 PolarHBondContact O-N 2.76Å; L180-M183 HydrophobicContact CD2-CE 4.35Å; L180-M183 HydrophobicContact CD2-SD 4.29Å; L180-M183 PolarHBondContact O-N 3.2Å; M183-K186 WeakPolarHBondContact O-CA 3.04Å; M183-K186 WeakPolarHBondContact O-CB 3.37Å; M183-K186 PolarHBondContact O-N 3.29Å; M183-K186 VanDerWaalsContact O-N 3.13Å; M183-F187 HydrophobicContact CB-CE2 3.88Å; M183-F187 HydrophobicContact CB-CZ 3.85Å; M183-F187 HydrophobicContact CE-CE2 4.17Å; M183-F187 HydrophobicContact CE-CZ 3.78Å; M183-F187 HydrophobicContact CG-CZ 4.48Å; M183-F187 WeakPolarHBondContact O-CD2 3.16Å; M183-F187 VanDerWaalsContact O-CG 3.25Å; M183-F187 WeakPolarHBondContact O-CG 3.43Å; M183-F187 PolarHBondContact O-N 2.9Å |
| 184 | I | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -50.7 | -174.3 | -64.9 | -175.7 | 0 | 0 | 0 | 112 | L180 K186 F187 L188 F209 T214 A216 L217 | L180-I184 HydrophobicContact CB-CD1 4.18Å; L180-I184 HydrophobicContact CB-CG1 4.34Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 PolarHBondContact O-N 3.38Å; I184-K186 PolarHBondContact O-N 3.01Å; I184-K186 VanDerWaalsContact O-N 3.16Å; I184-F187 PolarHBondContact O-N 2.92Å; I184-F187 VanDerWaalsContact O-N 3.14Å; I184-L188 WeakPolarHBondContact O-CG 3.33Å; I184-L188 PolarHBondContact O-N 3.5Å; I184-L188 VanDerWaalsContact O-N 3.15Å; I184-F209 HydrophobicContact CD1-CB 4.15Å; I184-F209 HydrophobicContact CD1-CD2 4.07Å; I184-F209 HydrophobicContact CD1-CG 4.19Å; I184-F209 HydrophobicContact CG1-CD2 4.45Å; I184-T214 HydrophobicContact CD1-CG2 4.03Å; I184-A216 HydrophobicContact CD1-CB 4.01Å; I184-L217 HydrophobicContact CD1-CB 3.95Å; I184-L217 HydrophobicContact CG2-CB 4.34Å; I184-L217 HydrophobicContact CG2-CD1 3.98Å |
| 185 | P | 97 | Very high | 93.9 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -30.7 | 176.3 | -24.4 | 34.9 | 0 | 0 | 0 | 112.8 | N181 | N181-P185 WeakPolarHBondContact O-CG 3.34Å |
| 186 | K | 96.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.7 | -46.8 | 176.4 | -170.9 | 164.3 | -166.9 | 162.5 | 0 | 111.5 | C142 D146 I182 M183 I184 L188 Q189 F190 | C142-K186 HydrophobicContact CB-CD 4.43Å; C142-K186 VanDerWaalsContact O-CE 3.29Å; C142-K186 WeakPolarHBondContact O-CE 3.23Å; C142-K186 PolarHBondContact O-NZ 3.18Å; D146-K186 WeakPolarHBondContact OD1-CE 3.36Å; D146-K186 IonicContact OD1-NZ 3.18Å; D146-K186 PolarHBondContact OD1-NZ 3.24Å; D146-K186 IonicContact OD2-NZ 2.75Å; D146-K186 PolarHBondContact OD2-NZ 3.19Å; I182-K186 WeakPolarHBondContact O-CB 3.32Å; I182-K186 PolarHBondContact O-N 3.08Å; M183-K186 WeakPolarHBondContact O-CA 3.04Å; M183-K186 WeakPolarHBondContact O-CB 3.37Å; M183-K186 PolarHBondContact O-N 3.29Å; M183-K186 VanDerWaalsContact O-N 3.13Å; I184-K186 PolarHBondContact O-N 3.01Å; I184-K186 VanDerWaalsContact O-N 3.16Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.09Å; K186-Q189 WeakPolarHBondContact O-CB 3.3Å; K186-Q189 PolarHBondContact O-N 3.41Å; K186-Q189 VanDerWaalsContact O-N 3.08Å; K186-F190 HydrophobicContact CG-CE2 4.05Å; K186-F190 VanDerWaalsContact O-CD2 3.3Å; K186-F190 WeakPolarHBondContact O-CD2 3.5Å |
| 187 | F | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 177.3 | -59.5 | -27.3 | 0 | 0 | 0 | 112.2 | L145 F157 L160 M183 I184 Q189 F190 F191 C205 V206 | L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.05Å; F157-F187 AromaticContact CE1-CD1 3.66Å; F157-F187 HydrophobicContact CE1-CD1 3.66Å; F157-F187 HydrophobicContact CE1-CE1 4.02Å; F157-F187 HydrophobicContact CE1-CG 4.4Å; F157-F187 AromaticContact CZ-CD1 3.95Å; F157-F187 HydrophobicContact CZ-CD1 3.95Å; L160-F187 HydrophobicContact CD1-CE1 4Å; L160-F187 HydrophobicContact CD1-CZ 4.34Å; M183-F187 HydrophobicContact CB-CE2 3.88Å; M183-F187 HydrophobicContact CB-CZ 3.85Å; M183-F187 HydrophobicContact CE-CE2 4.17Å; M183-F187 HydrophobicContact CE-CZ 3.78Å; M183-F187 HydrophobicContact CG-CZ 4.48Å; M183-F187 WeakPolarHBondContact O-CD2 3.16Å; M183-F187 VanDerWaalsContact O-CG 3.25Å; M183-F187 WeakPolarHBondContact O-CG 3.43Å; M183-F187 PolarHBondContact O-N 2.9Å; I184-F187 PolarHBondContact O-N 2.92Å; I184-F187 VanDerWaalsContact O-N 3.14Å; F187-Q189 PolarHBondContact O-N 2.92Å; F187-Q189 VanDerWaalsContact O-N 3.1Å; F187-F190 WeakPolarHBondContact O-CB 3.41Å; F187-F190 PolarHBondContact O-N 2.86Å; F187-F191 VanDerWaalsContact O-CD1 3.31Å; F187-F191 WeakPolarHBondContact O-CD1 3.4Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.7Å; F187-C205 HydrophobicContact CG-CB 4.27Å; F187-C205 HydrophobicContact CZ-CB 4.27Å; F187-V206 HydrophobicContact CB-CG2 3.84Å; F187-V206 HydrophobicContact CD2-CG2 4.22Å |
| 188 | L | 97.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.6 | -28.9 | 178.1 | -65.4 | 178 | 0 | 0 | 0 | 113.5 | I184 K186 F190 F191 V206 H220 F224 | I184-L188 WeakPolarHBondContact O-CG 3.33Å; I184-L188 PolarHBondContact O-N 3.5Å; I184-L188 VanDerWaalsContact O-N 3.15Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.09Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 PolarHBondContact O-N 3.08Å; L188-F191 HydrophobicContact CD2-CE1 4.01Å; L188-F191 HydrophobicContact CD2-CE2 4.28Å; L188-F191 HydrophobicContact CD2-CZ 3.84Å; L188-F191 PolarHBondContact O-N 3.29Å; L188-V206 HydrophobicContact CD2-CG2 4.3Å; L188-H220 HydrophobicContact CD1-CB 3.99Å; L188-F224 HydrophobicContact CD2-CB 3.96Å; L188-F224 HydrophobicContact CD2-CD2 3.61Å; L188-F224 HydrophobicContact CD2-CG 4.19Å |
| 189 | Q | 96.5 | Very high | 96.1 | Very high | 133 Ų | 133 | 46.1 Ų | 46.1 | 62% | 0.621 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.2 | -31.6 | 176.7 | -62.2 | 169.7 | 17.7 | 0 | 0 | 112 | K186 F187 F191 | K186-Q189 WeakPolarHBondContact O-CB 3.3Å; K186-Q189 PolarHBondContact O-N 3.41Å; K186-Q189 VanDerWaalsContact O-N 3.08Å; F187-Q189 PolarHBondContact O-N 2.92Å; F187-Q189 VanDerWaalsContact O-N 3.1Å; Q189-F191 VanDerWaalsContact C-N 3.27Å; Q189-F191 PolarHBondContact O-N 2.82Å |
| 190 | F | 97.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -80.4 | -3.7 | -178.6 | -71.6 | -85.4 | 0 | 0 | 0 | 113.7 | L145 F157 K186 F187 L188 K192 H193 I198 A202 | L145-F190 HydrophobicContact CB-CE2 4.05Å; L145-F190 HydrophobicContact CB-CZ 3.78Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CZ 3.31Å; F157-F190 HydrophobicContact CE2-CB 3.9Å; F157-F190 AromaticContact CE2-CD1 3.86Å; F157-F190 HydrophobicContact CE2-CD1 3.86Å; F157-F190 AromaticContact CE2-CD2 3.89Å; F157-F190 HydrophobicContact CE2-CD2 3.89Å; F157-F190 HydrophobicContact CE2-CE1 4.37Å; F157-F190 HydrophobicContact CE2-CE2 4.41Å; F157-F190 AromaticContact CE2-CG 3.6Å; F157-F190 HydrophobicContact CE2-CG 3.6Å; F157-F190 HydrophobicContact CZ-CB 3.85Å; F157-F190 AromaticContact CZ-CD2 3.88Å; F157-F190 HydrophobicContact CZ-CD2 3.88Å; F157-F190 AromaticContact CZ-CG 3.85Å; F157-F190 HydrophobicContact CZ-CG 3.85Å; K186-F190 HydrophobicContact CG-CE2 4.05Å; K186-F190 VanDerWaalsContact O-CD2 3.3Å; K186-F190 WeakPolarHBondContact O-CD2 3.5Å; F187-F190 WeakPolarHBondContact O-CB 3.41Å; F187-F190 PolarHBondContact O-N 2.86Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 PolarHBondContact O-N 3.08Å; F190-K192 PolarHBondContact O-N 3.43Å; F190-H193 HydrophobicContact CD1-CB 4.45Å; F190-H193 WeakPolarHBondContact O-CB 3.43Å; F190-H193 PolarHBondContact O-N 3.41Å; F190-H193 VanDerWaalsContact O-N 3.08Å; F190-I198 HydrophobicContact CB-CG2 4.07Å; F190-I198 HydrophobicContact CD1-CG2 3.79Å; F190-I198 HydrophobicContact CG-CG2 4.29Å; F190-A202 HydrophobicContact CB-CB 3.89Å |
| 191 | F | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -64 | -28 | 172.5 | -76.8 | 42.6 | 0 | 0 | 0 | 110.6 | F187 L188 Q189 H193 R199 A202 V203 V206 F224 N227 L228 L231 | F187-F191 VanDerWaalsContact O-CD1 3.31Å; F187-F191 WeakPolarHBondContact O-CD1 3.4Å; L188-F191 HydrophobicContact CD2-CE1 4.01Å; L188-F191 HydrophobicContact CD2-CE2 4.28Å; L188-F191 HydrophobicContact CD2-CZ 3.84Å; L188-F191 PolarHBondContact O-N 3.29Å; Q189-F191 VanDerWaalsContact C-N 3.27Å; Q189-F191 PolarHBondContact O-N 2.82Å; F191-H193 VanDerWaalsContact C-N 3.32Å; F191-R199 WeakPolarHBondContact O-CD 3.39Å; F191-R199 WeakPolarHBondContact O-CG 3.19Å; F191-A202 HydrophobicContact CD1-CB 3.7Å; F191-A202 HydrophobicContact CE1-CB 3.78Å; F191-V203 HydrophobicContact CD1-CG2 4.44Å; F191-V203 HydrophobicContact CD2-CG2 3.94Å; F191-V203 HydrophobicContact CE1-CG2 4.12Å; F191-V203 HydrophobicContact CE2-CB 4.44Å; F191-V203 HydrophobicContact CE2-CG2 3.61Å; F191-V203 HydrophobicContact CG-CG2 4.37Å; F191-V203 HydrophobicContact CZ-CB 4.16Å; F191-V203 HydrophobicContact CZ-CG2 3.7Å; F191-V206 HydrophobicContact CE1-CG2 4.14Å; F191-V206 HydrophobicContact CZ-CB 4.39Å; F191-V206 HydrophobicContact CZ-CG2 4.12Å; F191-F224 AromaticContact CE2-CD2 3.76Å; F191-F224 HydrophobicContact CE2-CD2 3.76Å; F191-F224 AromaticContact CE2-CE2 3.66Å; F191-F224 HydrophobicContact CE2-CE2 3.66Å; F191-F224 AromaticContact CZ-CD2 3.86Å; F191-F224 HydrophobicContact CZ-CD2 3.86Å; F191-F224 AromaticContact CZ-CE2 3.65Å; F191-F224 HydrophobicContact CZ-CE2 3.65Å; F191-N227 HydrophobicContact CB-CB 4.02Å; F191-N227 HydrophobicContact CD2-CB 3.56Å; F191-N227 HydrophobicContact CE2-CB 4.33Å; F191-N227 HydrophobicContact CG-CB 4.08Å; F191-L228 HydrophobicContact CE2-CD2 4.13Å; F191-L231 HydrophobicContact CB-CD1 4.03Å; F191-L231 HydrophobicContact CD2-CD1 3.71Å; F191-L231 HydrophobicContact CG-CD1 4.1Å; F191-L231 WeakPolarHBondContact O-CD2 3.22Å |
| 192 | K | 95.8 | Very high | 96.6 | Very high | 153 Ų | 153 | 42.8 Ų | 42.8 | 67% | 0.665 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -91.9 | 9 | 177.5 | -58.6 | -177.1 | -173 | -178.9 | 0 | 113.2 | F190 N227 | F190-K192 PolarHBondContact O-N 3.43Å; K192-N227 WeakPolarHBondContact CE-OD1 3.12Å |
| 193 | H | 96.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 26% | 0.255 | 19% | 0.188 | S | C | . | . | trans | -66.8 | 147.6 | -177.1 | -168.7 | -91.9 | 0 | 0 | 0 | 111.4 | F190 F191 S195 I198 R199 | F190-H193 HydrophobicContact CD1-CB 4.45Å; F190-H193 WeakPolarHBondContact O-CB 3.43Å; F190-H193 PolarHBondContact O-N 3.41Å; F190-H193 VanDerWaalsContact O-N 3.08Å; F191-H193 VanDerWaalsContact C-N 3.32Å; H193-S195 PolarHBondContact ND1-N 2.96Å; H193-S195 PolarHBondContact O-N 3.22Å; H193-I198 HydrophobicContact CB-CB 4.29Å; H193-I198 HydrophobicContact CB-CG2 3.9Å; H193-R199 HydrophobicContact CB-CG 4.38Å; H193-R199 WeakPolarHBondContact O-CD 3.3Å; H193-R199 WeakPolarHBondContact O-CG 3.21Å; H193-R199 PolarHBondContact O-NH1 2.85Å | ||
| 194 | S | 95.7 | Very high | 96.8 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 76% | 0.755 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -67.1 | -35.7 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | R199 | S194-R199 PolarHBondContact O-NH1 3.22Š|
| 195 | S | 96.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 12% | 0.119 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -79 | 125.6 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | Y150 H193 K197 I198 R199 | Y150-S195 WeakPolarHBondContact CE2-OG 3.36Å; Y150-S195 PolarHBondContact OH-OG 3.42Å; Y150-S195 VanDerWaalsContact OH-OG 3.11Å; H193-S195 PolarHBondContact ND1-N 2.96Å; H193-S195 PolarHBondContact O-N 3.22Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.37Å; S195-I198 PolarHBondContact O-N 3.35Å; S195-R199 PolarHBondContact O-N 2.95Å |
| 196 | P | 96.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -32.8 | 177.2 | 24.5 | -32.9 | 0 | 0 | 0 | 113 | I198 R199 S200 E236 V239 | P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3Å; P196-R199 WeakPolarHBondContact O-CB 3.43Å; P196-R199 PolarHBondContact O-N 3.21Å; P196-S200 PolarHBondContact O-N 3.41Å; P196-E236 HydrophobicContact CB-CB 3.74Å; P196-E236 HydrophobicContact CB-CG 3.77Å; P196-E236 HydrophobicContact CG-CG 4.48Å; P196-V239 HydrophobicContact CB-CG2 4.27Å; P196-V239 WeakPolarHBondContact O-CG2 2.91Å |
| 197 | K | 94.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 34 Ų | 34 | 45% | 0.452 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 179.3 | -162.5 | 173.3 | -171.4 | -169.6 | 0 | 112.2 | E154 S195 S200 H201 | E154-K197 HydrophobicContact CG-CD 4.06Å; E154-K197 WeakPolarHBondContact OE1-CE 3.41Å; E154-K197 IonicContact OE1-NZ 3.88Å; E154-K197 PolarHBondContact OE1-NZ 2.91Å; S195-K197 VanDerWaalsContact C-N 3.28Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.37Å; K197-S200 PolarHBondContact O-N 3.1Å; K197-H201 PolarHBondContact O-CD2 3.33Å; K197-H201 PolarHBondContact O-N 3.4Å |
| 198 | I | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 175.8 | -59.5 | -61.7 | 0 | 0 | 0 | 111 | Y150 E154 F157 F190 H193 S195 P196 S200 H201 A202 | Y150-I198 HydrophobicContact CE2-CD1 4.41Å; Y150-I198 HydrophobicContact CE2-CG1 4.03Å; E154-I198 HydrophobicContact CB-CD1 3.78Å; E154-I198 HydrophobicContact CG-CD1 4.2Å; F157-I198 HydrophobicContact CD2-CD1 4.19Å; F157-I198 HydrophobicContact CD2-CG2 3.93Å; F157-I198 HydrophobicContact CE2-CG2 3.78Å; F190-I198 HydrophobicContact CB-CG2 4.07Å; F190-I198 HydrophobicContact CD1-CG2 3.79Å; F190-I198 HydrophobicContact CG-CG2 4.29Å; H193-I198 HydrophobicContact CB-CB 4.29Å; H193-I198 HydrophobicContact CB-CG2 3.9Å; S195-I198 PolarHBondContact O-N 3.35Å; P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3Å; I198-S200 VanDerWaalsContact C-N 3.34Å; I198-H201 PolarHBondContact O-N 3.28Å; I198-A202 WeakPolarHBondContact O-CB 3.13Å; I198-A202 PolarHBondContact O-N 3.39Å |
| 199 | R | 97.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.3 | -62.8 | -164.3 | -65.1 | -85.2 | 4.9 | 111.2 | F191 H193 S194 S195 P196 A202 V203 D234 V239 | F191-R199 WeakPolarHBondContact O-CD 3.39Å; F191-R199 WeakPolarHBondContact O-CG 3.19Å; H193-R199 HydrophobicContact CB-CG 4.38Å; H193-R199 WeakPolarHBondContact O-CD 3.3Å; H193-R199 WeakPolarHBondContact O-CG 3.21Å; H193-R199 PolarHBondContact O-NH1 2.85Å; S194-R199 PolarHBondContact O-NH1 3.22Å; S195-R199 PolarHBondContact O-N 2.95Å; P196-R199 WeakPolarHBondContact O-CB 3.43Å; P196-R199 PolarHBondContact O-N 3.21Å; R199-A202 PolarHBondContact O-N 2.97Å; R199-V203 WeakPolarHBondContact O-CG2 3.47Å; R199-V203 PolarHBondContact O-N 3.47Å; R199-D234 IonicContact CZ-OD2 2.87Å; R199-D234 IonicContact NE-OD2 3.66Å; R199-D234 PolarHBondContact NE-OD2 2.91Å; R199-D234 VanDerWaalsContact NH2-CG 3.32Å; R199-D234 IonicContact NH2-OD1 3.98Å; R199-D234 PolarHBondContact NH2-OD1 3.47Å; R199-D234 IonicContact NH2-OD2 3.52Å; R199-D234 PolarHBondContact NH2-OD2 2.9Å; R199-V239 HydrophobicContact CB-CG2 4.05Å |
| 200 | S | 96.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.9 | -52.1 | 176 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | P196 K197 I198 A202 V203 A204 N242 | P196-S200 PolarHBondContact O-N 3.41Å; K197-S200 PolarHBondContact O-N 3.1Å; I198-S200 VanDerWaalsContact C-N 3.34Å; S200-A202 VanDerWaalsContact C-N 3.3Å; S200-A202 PolarHBondContact O-N 3.05Å; S200-V203 PolarHBondContact O-N 2.68Å; S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.38Å; S200-A204 PolarHBondContact O-N 3.26Å; S200-N242 PolarHBondContact OG-ND2 3.31Å |
| 201 | H | 96.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -43 | 175.8 | -72.8 | -53.5 | 0 | 0 | 0 | 112.7 | E154 F157 Q161 K197 I198 A204 C205 | E154-H201 IonicContact OE1-NE2 3.75Å; F157-H201 HydrophobicContact CB-CB 3.77Å; F157-H201 HydrophobicContact CD1-CB 3.62Å; F157-H201 HydrophobicContact CE1-CB 4.38Å; F157-H201 HydrophobicContact CG-CB 3.74Å; Q161-H201 PolarHBondContact OE1-CE1 3.31Å; Q161-H201 PolarHBondContact OE1-ND1 3.17Å; K197-H201 PolarHBondContact O-CD2 3.33Å; K197-H201 PolarHBondContact O-N 3.4Å; I198-H201 PolarHBondContact O-N 3.28Å; H201-A204 PolarHBondContact O-N 3.1Å; H201-C205 WeakPolarHBondContact O-CB 3.5Å; H201-C205 PolarHBondContact O-N 3.08Å; H201-C205 PolarHBondContact O-SG 3.18Å |
| 202 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F157 F190 F191 I198 R199 S200 V206 | F157-A202 HydrophobicContact CE1-CB 4.11Å; F157-A202 HydrophobicContact CZ-CB 3.93Å; F190-A202 HydrophobicContact CB-CB 3.89Å; F191-A202 HydrophobicContact CD1-CB 3.7Å; F191-A202 HydrophobicContact CE1-CB 3.78Å; I198-A202 WeakPolarHBondContact O-CB 3.13Å; I198-A202 PolarHBondContact O-N 3.39Å; R199-A202 PolarHBondContact O-N 2.97Å; S200-A202 VanDerWaalsContact C-N 3.3Å; S200-A202 PolarHBondContact O-N 3.05Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 3.19Å |
| 203 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.3 | -46.1 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | F191 R199 S200 C205 V206 N207 L228 L231 N242 A246 | F191-V203 HydrophobicContact CD1-CG2 4.44Å; F191-V203 HydrophobicContact CD2-CG2 3.94Å; F191-V203 HydrophobicContact CE1-CG2 4.12Å; F191-V203 HydrophobicContact CE2-CB 4.44Å; F191-V203 HydrophobicContact CE2-CG2 3.61Å; F191-V203 HydrophobicContact CG-CG2 4.37Å; F191-V203 HydrophobicContact CZ-CB 4.16Å; F191-V203 HydrophobicContact CZ-CG2 3.7Å; R199-V203 WeakPolarHBondContact O-CG2 3.47Å; R199-V203 PolarHBondContact O-N 3.47Å; S200-V203 PolarHBondContact O-N 2.68Å; V203-C205 VanDerWaalsContact C-N 3.32Å; V203-C205 PolarHBondContact O-N 3.18Å; V203-V206 PolarHBondContact O-N 3.36Å; V203-N207 VanDerWaalsContact O-CG 3.29Å; V203-N207 PolarHBondContact O-N 2.85Å; V203-N207 PolarHBondContact O-OD1 3.36Å; V203-L228 HydrophobicContact CG1-CD2 4.12Å; V203-L231 HydrophobicContact CG2-CD1 3.83Å; V203-N242 HydrophobicContact CB-CB 3.97Å; V203-N242 HydrophobicContact CG1-CB 3.71Å; V203-A246 HydrophobicContact CG1-CB 4.42Å |
| 204 | A | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q161 S200 H201 Q208 | Q161-A204 HydrophobicContact CG-CB 4.22Å; S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.38Å; S200-A204 PolarHBondContact O-N 3.26Å; H201-A204 PolarHBondContact O-N 3.1Å; A204-Q208 PolarHBondContact O-NE2 2.81Å |
| 205 | C | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 173.1 | -73.7 | 0 | 0 | 0 | 0 | 112 | Q161 F187 H201 V203 N207 F209 | Q161-C205 WeakPolarHBondContact CA-SG 3.4Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.7Å; F187-C205 HydrophobicContact CG-CB 4.27Å; F187-C205 HydrophobicContact CZ-CB 4.27Å; H201-C205 WeakPolarHBondContact O-CB 3.5Å; H201-C205 PolarHBondContact O-N 3.08Å; H201-C205 PolarHBondContact O-SG 3.18Å; V203-C205 VanDerWaalsContact C-N 3.32Å; V203-C205 PolarHBondContact O-N 3.18Å; C205-N207 VanDerWaalsContact C-N 3.34Å; C205-F209 WeakPolarHBondContact O-CD2 3.49Å; C205-F209 WeakPolarHBondContact O-CE2 3.45Å |
| 206 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -35.3 | -178.2 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | F187 L188 F191 A202 V203 Q208 F209 L217 F224 | F187-V206 HydrophobicContact CB-CG2 3.84Å; F187-V206 HydrophobicContact CD2-CG2 4.22Å; L188-V206 HydrophobicContact CD2-CG2 4.3Å; F191-V206 HydrophobicContact CE1-CG2 4.14Å; F191-V206 HydrophobicContact CZ-CB 4.39Å; F191-V206 HydrophobicContact CZ-CG2 4.12Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 3.19Å; V203-V206 PolarHBondContact O-N 3.36Å; V206-Q208 PolarHBondContact O-N 3.03Å; V206-F209 PolarHBondContact O-N 3.21Å; V206-L217 HydrophobicContact CG1-CD1 3.64Å; V206-L217 HydrophobicContact CG1-CD2 3.97Å; V206-L217 HydrophobicContact CG1-CG 4.47Å; V206-F224 HydrophobicContact CB-CE2 4.15Å; V206-F224 HydrophobicContact CB-CZ 4.46Å; V206-F224 HydrophobicContact CG1-CD1 4.45Å; V206-F224 HydrophobicContact CG1-CD2 3.85Å; V206-F224 HydrophobicContact CG1-CE1 4.15Å; V206-F224 HydrophobicContact CG1-CE2 3.52Å; V206-F224 HydrophobicContact CG1-CG 4.3Å; V206-F224 HydrophobicContact CG1-CZ 3.66Å |
| 207 | N | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.5 | -31.6 | -179.9 | -73.9 | -1.2 | 0 | 0 | 0 | 113.3 | V203 C205 F209 I210 N242 A246 M249 | V203-N207 VanDerWaalsContact O-CG 3.29Å; V203-N207 PolarHBondContact O-N 2.85Å; V203-N207 PolarHBondContact O-OD1 3.36Å; C205-N207 VanDerWaalsContact C-N 3.34Å; N207-F209 PolarHBondContact O-N 3.47Å; N207-I210 HydrophobicContact CB-CD1 4.33Å; N207-I210 PolarHBondContact O-N 3.47Å; N207-N242 PolarHBondContact ND2-O 3.39Å; N207-A246 WeakPolarHBondContact OD1-CB 3.45Å; N207-M249 HydrophobicContact CB-SD 4.14Å |
| 208 | Q | 96.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 21% | 0.206 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.8 | 178.5 | -53.6 | -51.1 | -48.4 | 0 | 0 | 113.7 | C164 E165 A204 V206 | C164-Q208 HydrophobicContact CB-CB 4.26Å; C164-Q208 HydrophobicContact CB-CG 3.83Å; E165-Q208 HydrophobicContact CG-CG 4.44Å; A204-Q208 PolarHBondContact O-NE2 2.81Å; V206-Q208 PolarHBondContact O-N 3.03Å |
| 209 | F | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 9.8 | -171.3 | -53.9 | -67.8 | 0 | 0 | 0 | 113.5 | C164 A168 L171 L180 I184 C205 V206 N207 S212 T214 L217 | C164-F209 HydrophobicContact CB-CE2 3.97Å; C164-F209 HydrophobicContact CB-CZ 3.84Å; A168-F209 HydrophobicContact CB-CE1 4.1Å; L171-F209 HydrophobicContact CB-CE1 4.25Å; L171-F209 HydrophobicContact CB-CZ 4.48Å; L171-F209 HydrophobicContact CD1-CE1 4.29Å; L171-F209 HydrophobicContact CD1-CZ 3.83Å; L180-F209 HydrophobicContact CD1-CD1 3.62Å; L180-F209 HydrophobicContact CD1-CE1 3.5Å; L180-F209 HydrophobicContact CD1-CG 4.3Å; L180-F209 HydrophobicContact CD1-CZ 4.11Å; L180-F209 HydrophobicContact CD2-CD1 4.41Å; L180-F209 HydrophobicContact CD2-CD2 4.42Å; L180-F209 HydrophobicContact CD2-CE1 3.81Å; L180-F209 HydrophobicContact CD2-CE2 3.83Å; L180-F209 HydrophobicContact CD2-CZ 3.5Å; L180-F209 VanDerWaalsContact CD2-CZ 3.5Å; L180-F209 HydrophobicContact CG-CE1 4.32Å; L180-F209 HydrophobicContact CG-CZ 4.47Å; I184-F209 HydrophobicContact CD1-CB 4.15Å; I184-F209 HydrophobicContact CD1-CD2 4.07Å; I184-F209 HydrophobicContact CD1-CG 4.19Å; I184-F209 HydrophobicContact CG1-CD2 4.45Å; C205-F209 WeakPolarHBondContact O-CD2 3.49Å; C205-F209 WeakPolarHBondContact O-CE2 3.45Å; V206-F209 PolarHBondContact O-N 3.21Å; N207-F209 PolarHBondContact O-N 3.47Å; F209-S212 WeakPolarHBondContact CA-OG 3.29Å; F209-S212 PolarHBondContact O-OG 3.38Å; F209-T214 HydrophobicContact CB-CG2 4.32Å; F209-T214 PolarHBondContact O-N 3.05Å; F209-L217 HydrophobicContact CB-CD2 4.41Å |
| 210 | I | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -56.9 | -179.6 | -60.7 | 172.3 | 0 | 0 | 0 | 110.3 | N207 S212 R213 L217 F224 A246 M249 L250 V253 | N207-I210 HydrophobicContact CB-CD1 4.33Å; N207-I210 PolarHBondContact O-N 3.47Å; I210-S212 PolarHBondContact O-N 2.8Å; I210-R213 PolarHBondContact O-N 3.03Å; I210-L217 HydrophobicContact CB-CD2 4.46Å; I210-L217 HydrophobicContact CG1-CD2 3.76Å; I210-F224 HydrophobicContact CD1-CE1 3.74Å; I210-F224 HydrophobicContact CD1-CZ 3.89Å; I210-F224 HydrophobicContact CG1-CE1 4.11Å; I210-A246 HydrophobicContact CD1-CB 4.27Å; I210-M249 HydrophobicContact CB-CB 3.91Å; I210-M249 HydrophobicContact CB-SD 4.35Å; I210-M249 HydrophobicContact CD1-CB 3.95Å; I210-M249 HydrophobicContact CD1-SD 4.05Å; I210-M249 HydrophobicContact CG2-CB 3.56Å; I210-L250 HydrophobicContact CD1-CG 4.5Å; I210-L250 HydrophobicContact CG2-CD2 4.03Å; I210-L250 HydrophobicContact CG2-CG 4.24Å; I210-V253 HydrophobicContact CG2-CG2 3.53Å |
| 211 | I | 94.3 | Very high | 96.1 | Very high | 81 Ų | 81 | 33.5 Ų | 33.5 | 42% | 0.415 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -38.4 | -175.2 | -58.3 | -54.5 | 0 | 0 | 0 | 112 | R213 M249 E252 V253 | I211-R213 PolarHBondContact O-N 3.46Å; I211-M249 HydrophobicContact CD1-CB 3.75Å; I211-M249 HydrophobicContact CD1-CG 3.95Å; I211-M249 HydrophobicContact CG1-CB 4.33Å; I211-M249 HydrophobicContact CG1-CG 4.16Å; I211-E252 VanDerWaalsContact CD1-OE2 3.28Å; I211-E252 WeakPolarHBondContact CD1-OE2 3.43Å; I211-V253 HydrophobicContact CD1-CG1 4.2Å |
| 212 | S | 92.8 | Very high | 96 | Very high | 63 Ų | 63 | 37 Ų | 37 | 44% | 0.441 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.4 | 174.9 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | F209 I210 T214 | F209-S212 WeakPolarHBondContact CA-OG 3.29Å; F209-S212 PolarHBondContact O-OG 3.38Å; I210-S212 PolarHBondContact O-N 2.8Å; S212-T214 PolarHBondContact O-N 3.02Å; S212-T214 PolarHBondContact OG-OG1 3.28Å |
| 213 | R | 94.6 | Very high | 95.9 | Very high | 143 Ų | 143 | 39.2 Ų | 39.2 | 54% | 0.54 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.1 | -174.7 | -53.9 | -178.4 | -176.4 | -138.8 | -2.6 | 112.3 | I210 I211 Q215 M218 V253 | I210-R213 PolarHBondContact O-N 3.03Å; I211-R213 PolarHBondContact O-N 3.46Å; R213-Q215 PolarHBondContact O-N 2.89Å; R213-M218 HydrophobicContact CB-CE 4.42Å; R213-M218 HydrophobicContact CB-CG 4.39Å; R213-M218 VanDerWaalsContact O-CG 3.3Å; R213-M218 WeakPolarHBondContact O-CG 3.47Å; R213-V253 HydrophobicContact CG-CB 4.22Å; R213-V253 HydrophobicContact CG-CG1 4.1Å |
| 214 | T | 94.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -50 | 127.9 | -177.2 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | D172 L180 I184 F209 S212 A216 L217 M218 | D172-T214 VanDerWaalsContact CG-OG1 3.22Å; D172-T214 WeakPolarHBondContact OD1-CG2 3.44Å; D172-T214 WeakPolarHBondContact OD2-CB 3.44Å; D172-T214 PolarHBondContact OD2-OG1 3.24Å; L180-T214 HydrophobicContact CB-CG2 4.44Å; L180-T214 HydrophobicContact CD1-CG2 3.73Å; I184-T214 HydrophobicContact CD1-CG2 4.03Å; F209-T214 HydrophobicContact CB-CG2 4.32Å; F209-T214 PolarHBondContact O-N 3.05Å; S212-T214 PolarHBondContact O-N 3.02Å; S212-T214 PolarHBondContact OG-OG1 3.28Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 HydrophobicContact CG2-CB 4.21Å; T214-A216 PolarHBondContact O-N 3.49Å; T214-L217 PolarHBondContact O-N 3.43Å; T214-M218 WeakPolarHBondContact O-CG 3.44Å; T214-M218 PolarHBondContact O-N 2.89Å | ||
| 215 | Q | 93.6 | Very high | 95.8 | Very high | 115 Ų | 115 | 39.5 Ų | 39.5 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.1 | -39.2 | -169.9 | -175.1 | 63.1 | 13.6 | 0 | 0 | 112.9 | R213 L217 M218 L219 | R213-Q215 PolarHBondContact O-N 2.89Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 3.1Å; Q215-M218 PolarHBondContact O-N 2.87Å; Q215-L219 HydrophobicContact CG-CD1 4.29Å; Q215-L219 WeakPolarHBondContact O-CG 3.33Å; Q215-L219 PolarHBondContact O-N 3.06Å; Q215-L219 VanDerWaalsContact O-N 3.1Å |
| 216 | A | 94.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L180 I184 T214 H220 | L180-A216 HydrophobicContact CB-CB 4.21Å; I184-A216 HydrophobicContact CD1-CB 4.01Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 HydrophobicContact CG2-CB 4.21Å; T214-A216 PolarHBondContact O-N 3.49Å; A216-H220 PolarHBondContact O-CD2 3.46Å |
| 217 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 176.5 | -177.1 | 55.8 | 0 | 0 | 0 | 111.7 | I184 V206 F209 I210 T214 Q215 L219 H220 I221 F224 | I184-L217 HydrophobicContact CD1-CB 3.95Å; I184-L217 HydrophobicContact CG2-CB 4.34Å; I184-L217 HydrophobicContact CG2-CD1 3.98Å; V206-L217 HydrophobicContact CG1-CD1 3.64Å; V206-L217 HydrophobicContact CG1-CD2 3.97Å; V206-L217 HydrophobicContact CG1-CG 4.47Å; F209-L217 HydrophobicContact CB-CD2 4.41Å; I210-L217 HydrophobicContact CB-CD2 4.46Å; I210-L217 HydrophobicContact CG1-CD2 3.76Å; T214-L217 PolarHBondContact O-N 3.43Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 3.1Å; L217-H220 CarbonylContact O-C 3.56Å; L217-H220 VanDerWaalsContact O-C 3.28Å; L217-H220 WeakPolarHBondContact O-CA 3.46Å; L217-H220 PolarHBondContact O-N 3.32Å; L217-I221 HydrophobicContact CG-CD1 4.44Å; L217-I221 PolarHBondContact O-N 2.89Å; L217-F224 HydrophobicContact CD1-CB 4.15Å; L217-F224 HydrophobicContact CD1-CD1 4.05Å; L217-F224 HydrophobicContact CD1-CG 4.1Å |
| 218 | M | 96.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | -177.2 | -66.1 | -57.3 | 126.1 | 0 | 0 | 113 | R213 T214 Q215 H220 I221 R254 | R213-M218 HydrophobicContact CB-CE 4.42Å; R213-M218 HydrophobicContact CB-CG 4.39Å; R213-M218 VanDerWaalsContact O-CG 3.3Å; R213-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 WeakPolarHBondContact O-CG 3.44Å; T214-M218 PolarHBondContact O-N 2.89Å; Q215-M218 PolarHBondContact O-N 2.87Å; M218-H220 VanDerWaalsContact C-N 3.31Å; M218-I221 HydrophobicContact CE-CD1 4.29Å; M218-I221 HydrophobicContact SD-CD1 4.45Å; M218-R254 HydrophobicContact SD-CG 4Å; M218-R254 PolarHBondContact SD-NH1 3.02Å |
| 219 | L | 95.7 | Very high | 95.5 | Very high | 119 Ų | 119 | 47.4 Ų | 47.4 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -71.4 | -24.9 | 172.9 | -69.1 | 172.7 | 0 | 0 | 0 | 113.2 | Q215 L217 | Q215-L219 HydrophobicContact CG-CD1 4.29Å; Q215-L219 WeakPolarHBondContact O-CG 3.33Å; Q215-L219 PolarHBondContact O-N 3.06Å; Q215-L219 VanDerWaalsContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 3.1Å |
| 220 | H | 97.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 16.1 | -178.9 | -68.9 | -67.1 | 0 | 0 | 0 | 113.4 | L188 A216 L217 M218 D222 S223 F224 | L188-H220 HydrophobicContact CD1-CB 3.99Å; A216-H220 PolarHBondContact O-CD2 3.46Å; L217-H220 CarbonylContact O-C 3.56Å; L217-H220 VanDerWaalsContact O-C 3.28Å; L217-H220 WeakPolarHBondContact O-CA 3.46Å; L217-H220 PolarHBondContact O-N 3.32Å; M218-H220 VanDerWaalsContact C-N 3.31Å; H220-D222 VanDerWaalsContact C-N 3.33Å; H220-D222 PolarHBondContact O-N 3Å; H220-S223 WeakPolarHBondContact O-CB 3.48Å; H220-S223 PolarHBondContact O-N 2.87Å; H220-S223 VanDerWaalsContact O-N 3.12Å; H220-F224 PolarHBondContact O-N 2.84Å |
| 221 | I | 96.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | -170.2 | -160.4 | 67.5 | 0 | 0 | 0 | 113.6 | L217 M218 F224 I225 L250 R254 R257 | L217-I221 HydrophobicContact CG-CD1 4.44Å; L217-I221 PolarHBondContact O-N 2.89Å; M218-I221 HydrophobicContact CE-CD1 4.29Å; M218-I221 HydrophobicContact SD-CD1 4.45Å; I221-F224 HydrophobicContact CD1-CD1 4.27Å; I221-F224 WeakPolarHBondContact O-CB 3.25Å; I221-F224 PolarHBondContact O-N 3.2Å; I221-I225 HydrophobicContact CG1-CD1 4.17Å; I221-I225 WeakPolarHBondContact O-CG1 3.48Å; I221-I225 PolarHBondContact O-N 3.48Å; I221-L250 HydrophobicContact CD1-CD2 3.66Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.37Å; I221-R257 HydrophobicContact CG2-CG 4.41Å |
| 222 | D | 94.6 | Very high | 95.3 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 177.6 | -71.5 | -27.8 | 0 | 0 | 0 | 111.7 | H220 F224 I225 E226 R257 | H220-D222 VanDerWaalsContact C-N 3.33Å; H220-D222 PolarHBondContact O-N 3Å; D222-F224 PolarHBondContact O-N 3.07Å; D222-I225 PolarHBondContact O-N 3.48Å; D222-E226 WeakPolarHBondContact O-CB 3.36Å; D222-E226 PolarHBondContact O-N 3.42Å; D222-R257 IonicContact OD1-CZ 2.8Å; D222-R257 IonicContact OD1-NE 2.82Å; D222-R257 PolarHBondContact OD1-NE 2.9Å; D222-R257 IonicContact OD1-NH2 3.23Å; D222-R257 PolarHBondContact OD1-NH2 3.27Å; D222-R257 IonicContact OD2-CZ 2.77Å; D222-R257 IonicContact OD2-NH2 3.98Å; D222-R257 PolarHBondContact OD2-NH2 3.5Å |
| 223 | S | 96.5 | Very high | 95.3 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | H220 N227 | H220-S223 WeakPolarHBondContact O-CB 3.48Å; H220-S223 PolarHBondContact O-N 2.87Å; H220-S223 VanDerWaalsContact O-N 3.12Å; S223-N227 PolarHBondContact O-N 2.69Å; S223-N227 VanDerWaalsContact O-N 3.15Å; S223-N227 PolarHBondContact O-ND2 3.41Å |
| 224 | F | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 176.8 | 178.8 | -133.9 | 0 | 0 | 0 | 111.7 | L188 F191 V206 I210 L217 H220 I221 D222 E226 N227 L228 A246 L250 | L188-F224 HydrophobicContact CD2-CB 3.96Å; L188-F224 HydrophobicContact CD2-CD2 3.61Å; L188-F224 HydrophobicContact CD2-CG 4.19Å; F191-F224 AromaticContact CE2-CD2 3.76Å; F191-F224 HydrophobicContact CE2-CD2 3.76Å; F191-F224 AromaticContact CE2-CE2 3.66Å; F191-F224 HydrophobicContact CE2-CE2 3.66Å; F191-F224 AromaticContact CZ-CD2 3.86Å; F191-F224 HydrophobicContact CZ-CD2 3.86Å; F191-F224 AromaticContact CZ-CE2 3.65Å; F191-F224 HydrophobicContact CZ-CE2 3.65Å; V206-F224 HydrophobicContact CB-CE2 4.15Å; V206-F224 HydrophobicContact CB-CZ 4.46Å; V206-F224 HydrophobicContact CG1-CD1 4.45Å; V206-F224 HydrophobicContact CG1-CD2 3.85Å; V206-F224 HydrophobicContact CG1-CE1 4.15Å; V206-F224 HydrophobicContact CG1-CE2 3.52Å; V206-F224 HydrophobicContact CG1-CG 4.3Å; V206-F224 HydrophobicContact CG1-CZ 3.66Å; I210-F224 HydrophobicContact CD1-CE1 3.74Å; I210-F224 HydrophobicContact CD1-CZ 3.89Å; I210-F224 HydrophobicContact CG1-CE1 4.11Å; L217-F224 HydrophobicContact CD1-CB 4.15Å; L217-F224 HydrophobicContact CD1-CD1 4.05Å; L217-F224 HydrophobicContact CD1-CG 4.1Å; H220-F224 PolarHBondContact O-N 2.84Å; I221-F224 HydrophobicContact CD1-CD1 4.27Å; I221-F224 WeakPolarHBondContact O-CB 3.25Å; I221-F224 PolarHBondContact O-N 3.2Å; D222-F224 PolarHBondContact O-N 3.07Å; F224-E226 PolarHBondContact O-N 2.86Å; F224-N227 PolarHBondContact O-N 3Å; F224-L228 HydrophobicContact CD1-CD1 4.2Å; F224-L228 HydrophobicContact CD2-CD1 4.27Å; F224-L228 HydrophobicContact CD2-CG 4.09Å; F224-L228 HydrophobicContact CE1-CD1 3.82Å; F224-L228 HydrophobicContact CE2-CD1 3.88Å; F224-L228 HydrophobicContact CE2-CD2 3.85Å; F224-L228 HydrophobicContact CE2-CG 3.79Å; F224-L228 HydrophobicContact CG-CD1 4.43Å; F224-L228 HydrophobicContact CZ-CD1 3.65Å; F224-L228 HydrophobicContact CZ-CD2 4.16Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 3.28Å; F224-A246 HydrophobicContact CZ-CB 3.98Å; F224-L250 HydrophobicContact CD1-CD1 4.1Å; F224-L250 HydrophobicContact CD1-CD2 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.79Å; F224-L250 HydrophobicContact CE1-CD2 4.2Å; F224-L250 HydrophobicContact CE1-CG 4.15Å |
| 225 | I | 95.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 179.8 | -68.3 | 168.2 | 0 | 0 | 0 | 111.7 | I221 D222 N227 L228 F229 L250 R257 L258 | I221-I225 HydrophobicContact CG1-CD1 4.17Å; I221-I225 WeakPolarHBondContact O-CG1 3.48Å; I221-I225 PolarHBondContact O-N 3.48Å; D222-I225 PolarHBondContact O-N 3.48Å; I225-N227 VanDerWaalsContact C-N 3.31Å; I225-N227 PolarHBondContact O-N 3.45Å; I225-L228 PolarHBondContact O-N 2.94Å; I225-F229 HydrophobicContact CG2-CD2 3.93Å; I225-F229 HydrophobicContact CG2-CE1 4.26Å; I225-F229 HydrophobicContact CG2-CE2 3.32Å; I225-F229 HydrophobicContact CG2-CZ 3.51Å; I225-F229 WeakPolarHBondContact O-CG 3.2Å; I225-F229 PolarHBondContact O-N 3.04Å; I225-L250 HydrophobicContact CG1-CD1 4.02Å; I225-R257 HydrophobicContact CD1-CB 3.51Å; I225-R257 HydrophobicContact CD1-CG 4.32Å; I225-L258 HydrophobicContact CD1-CD2 4.15Å; I225-L258 HydrophobicContact CG1-CD2 4.42Å |
| 226 | E | 95.4 | Very high | 95.5 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59 | -43.4 | 176.9 | -172.8 | -170.6 | 157.7 | 0 | 0 | 111.6 | D222 F224 F229 A230 | D222-E226 WeakPolarHBondContact O-CB 3.36Å; D222-E226 PolarHBondContact O-N 3.42Å; F224-E226 PolarHBondContact O-N 2.86Å; E226-F229 PolarHBondContact O-N 3.09Å; E226-A230 PolarHBondContact O-N 3.1Å; E226-A230 VanDerWaalsContact O-N 3.08Å |
| 227 | N | 96.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.3 | -34 | 178.5 | -75.5 | -74.5 | 0 | 0 | 0 | 112.4 | F191 K192 S223 F224 I225 A230 L231 | F191-N227 HydrophobicContact CB-CB 4.02Å; F191-N227 HydrophobicContact CD2-CB 3.56Å; F191-N227 HydrophobicContact CE2-CB 4.33Å; F191-N227 HydrophobicContact CG-CB 4.08Å; K192-N227 WeakPolarHBondContact CE-OD1 3.12Å; S223-N227 PolarHBondContact O-N 2.69Å; S223-N227 VanDerWaalsContact O-N 3.15Å; S223-N227 PolarHBondContact O-ND2 3.41Å; F224-N227 PolarHBondContact O-N 3Å; I225-N227 VanDerWaalsContact C-N 3.31Å; I225-N227 PolarHBondContact O-N 3.45Å; N227-A230 WeakPolarHBondContact O-CB 3.43Å; N227-A230 PolarHBondContact O-N 3.49Å; N227-L231 WeakPolarHBondContact O-CG 3.24Å; N227-L231 PolarHBondContact O-N 3.47Å; N227-L231 VanDerWaalsContact O-N 3.16Å |
| 228 | L | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.4 | -73.5 | 176.4 | 0 | 0 | 0 | 111.3 | F191 V203 F224 I225 A230 L231 A232 V243 A246 L250 | F191-L228 HydrophobicContact CE2-CD2 4.13Å; V203-L228 HydrophobicContact CG1-CD2 4.12Å; F224-L228 HydrophobicContact CD1-CD1 4.2Å; F224-L228 HydrophobicContact CD2-CD1 4.27Å; F224-L228 HydrophobicContact CD2-CG 4.09Å; F224-L228 HydrophobicContact CE1-CD1 3.82Å; F224-L228 HydrophobicContact CE2-CD1 3.88Å; F224-L228 HydrophobicContact CE2-CD2 3.85Å; F224-L228 HydrophobicContact CE2-CG 3.79Å; F224-L228 HydrophobicContact CG-CD1 4.43Å; F224-L228 HydrophobicContact CZ-CD1 3.65Å; F224-L228 HydrophobicContact CZ-CD2 4.16Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 3.28Å; I225-L228 PolarHBondContact O-N 2.94Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.22Å; L228-L231 CarbonylContact O-C 3.48Å; L228-L231 WeakPolarHBondContact O-CA 3.27Å; L228-L231 PolarHBondContact O-N 3.31Å; L228-A232 PolarHBondContact O-N 3.01Å; L228-A232 VanDerWaalsContact O-N 3.09Å; L228-V243 HydrophobicContact CD2-CG1 4.46Å; L228-V243 HydrophobicContact CD2-CG2 4.13Å; L228-A246 HydrophobicContact CD1-CB 3.8Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.47Å; L228-L250 HydrophobicContact CD1-CD1 3.65Å |
| 229 | F | 94.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 177 | -64.1 | -24.9 | 0 | 0 | 0 | 112.7 | I225 E226 L231 A232 L247 H261 I265 | I225-F229 HydrophobicContact CG2-CD2 3.93Å; I225-F229 HydrophobicContact CG2-CE1 4.26Å; I225-F229 HydrophobicContact CG2-CE2 3.32Å; I225-F229 HydrophobicContact CG2-CZ 3.51Å; I225-F229 WeakPolarHBondContact O-CG 3.2Å; I225-F229 PolarHBondContact O-N 3.04Å; E226-F229 PolarHBondContact O-N 3.09Å; F229-L231 PolarHBondContact O-N 2.86Å; F229-A232 WeakPolarHBondContact O-CB 3.39Å; F229-A232 PolarHBondContact O-N 2.76Å; F229-L247 HydrophobicContact CE1-CD2 4.18Å; F229-H261 HydrophobicContact CE2-CB 3.95Å; F229-H261 AromaticContact CE2-CD2 3.71Å; F229-H261 AromaticContact CE2-CG 3.63Å; F229-H261 HydrophobicContact CZ-CB 3.74Å; F229-H261 AromaticContact CZ-CG 3.94Å; F229-I265 HydrophobicContact CE1-CD1 4.13Å; F229-I265 HydrophobicContact CE1-CG1 3.95Å; F229-I265 HydrophobicContact CZ-CD1 4.05Å; F229-I265 HydrophobicContact CZ-CG1 4.22Å |
| 230 | A | 94.7 | Very high | 95.7 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.4 | -27.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E226 N227 L228 | E226-A230 PolarHBondContact O-N 3.1Å; E226-A230 VanDerWaalsContact O-N 3.08Å; N227-A230 WeakPolarHBondContact O-CB 3.43Å; N227-A230 PolarHBondContact O-N 3.49Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 PolarHBondContact O-N 3.22Å |
| 231 | L | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -91 | -6.3 | 177.4 | -66.9 | -179.5 | 0 | 0 | 0 | 114.6 | F191 V203 N227 L228 F229 G233 D234 V239 V243 | F191-L231 HydrophobicContact CB-CD1 4.03Å; F191-L231 HydrophobicContact CD2-CD1 3.71Å; F191-L231 HydrophobicContact CG-CD1 4.1Å; F191-L231 WeakPolarHBondContact O-CD2 3.22Å; V203-L231 HydrophobicContact CG2-CD1 3.83Å; N227-L231 WeakPolarHBondContact O-CG 3.24Å; N227-L231 PolarHBondContact O-N 3.47Å; N227-L231 VanDerWaalsContact O-N 3.16Å; L228-L231 CarbonylContact O-C 3.48Å; L228-L231 WeakPolarHBondContact O-CA 3.27Å; L228-L231 PolarHBondContact O-N 3.31Å; F229-L231 PolarHBondContact O-N 2.86Å; L231-G233 PolarHBondContact O-N 3.1Å; L231-G233 VanDerWaalsContact O-N 3.11Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.48Å; L231-D234 PolarHBondContact O-N 3.08Å; L231-V239 HydrophobicContact CB-CG1 4.31Å; L231-V239 HydrophobicContact CD1-CG1 4.23Å; L231-V239 HydrophobicContact CD2-CG1 4.42Å; L231-V243 HydrophobicContact CB-CG2 3.83Å; L231-V243 HydrophobicContact CD1-CG2 4.5Å |
| 232 | A | 91.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 49 Ų | 49 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L228 F229 Y268 | L228-A232 PolarHBondContact O-N 3.01Å; L228-A232 VanDerWaalsContact O-N 3.09Å; F229-A232 WeakPolarHBondContact O-CB 3.39Å; F229-A232 PolarHBondContact O-N 2.76Å; A232-Y268 HydrophobicContact CB-CD2 4.02Å; A232-Y268 HydrophobicContact CB-CE2 3.77Å; A232-Y268 VanDerWaalsContact O-CE2 3.23Å; A232-Y268 WeakPolarHBondContact O-CE2 3.24Å |
| 233 | G | 91.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 72% | 0.722 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 5.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L231 | L231-G233 PolarHBondContact O-N 3.1Å; L231-G233 VanDerWaalsContact O-N 3.11Å |
| 234 | D | 95.6 | Very high | 96 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | trans | -66.8 | 136.6 | -178.9 | -154.5 | -44.4 | 0 | 0 | 0 | 111 | R199 L231 E236 V239 R240 | R199-D234 IonicContact CZ-OD2 2.87Å; R199-D234 IonicContact NE-OD2 3.66Å; R199-D234 PolarHBondContact NE-OD2 2.91Å; R199-D234 VanDerWaalsContact NH2-CG 3.32Å; R199-D234 IonicContact NH2-OD1 3.98Å; R199-D234 PolarHBondContact NH2-OD1 3.47Å; R199-D234 IonicContact NH2-OD2 3.52Å; R199-D234 PolarHBondContact NH2-OD2 2.9Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.48Å; L231-D234 PolarHBondContact O-N 3.08Å; D234-E236 PolarHBondContact OD1-N 3.42Å; D234-V239 HydrophobicContact CB-CB 4.19Å; D234-V239 HydrophobicContact CB-CG1 3.88Å; D234-R240 WeakPolarHBondContact O-CD 3.32Å; D234-R240 WeakPolarHBondContact O-CG 3.35Å; D234-R240 PolarHBondContact O-NE 3.36Å | ||
| 235 | E | 93.8 | Very high | 96 | Very high | 173 Ų | 173 | 46.4 Ų | 46.4 | 81% | 0.808 | 25% | 0.251 | S | S | * | . | trans | -84.1 | -21.7 | 179.9 | -65.5 | -174.2 | 168 | 0 | 0 | 111.8 | P237 R240 | E235-P237 WeakPolarHBondContact O-CD 3.45Å; E235-R240 PolarHBondContact O-NE 3.1Å; E235-R240 PolarHBondContact O-NH2 2.9Å; E235-R240 VanDerWaalsContact O-NH2 3.1Å | ||
| 236 | E | 97.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | trans | -67.6 | 122.8 | -178.7 | -173.3 | 70.7 | -147.3 | 0 | 0 | 111 | P196 D234 E238 V239 R240 | P196-E236 HydrophobicContact CB-CB 3.74Å; P196-E236 HydrophobicContact CB-CG 3.77Å; P196-E236 HydrophobicContact CG-CG 4.48Å; D234-E236 PolarHBondContact OD1-N 3.42Å; E236-E238 HydrophobicContact CG-CB 4.4Å; E236-E238 PolarHBondContact O-N 2.96Å; E236-V239 HydrophobicContact CB-CB 4.29Å; E236-V239 HydrophobicContact CB-CG2 3.94Å; E236-V239 HydrophobicContact CG-CG2 4.2Å; E236-V239 PolarHBondContact O-N 3.48Å; E236-R240 PolarHBondContact O-N 3Å; E236-R240 VanDerWaalsContact O-N 3.1Å | ||
| 237 | P | 96.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 40 Ų | 40 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | -179.5 | -25 | 33.8 | 0 | 0 | 0 | 113.5 | E235 V239 R240 K241 D277 V280 | E235-P237 WeakPolarHBondContact O-CD 3.45Å; P237-V239 VanDerWaalsContact C-N 3.27Å; P237-V239 PolarHBondContact O-N 2.98Å; P237-R240 PolarHBondContact O-N 3.11Å; P237-K241 VanDerWaalsContact O-CB 3.3Å; P237-K241 WeakPolarHBondContact O-CB 3.44Å; P237-K241 PolarHBondContact O-N 3.28Å; P237-D277 HydrophobicContact CB-CB 4.41Å; P237-D277 VanDerWaalsContact CB-OD2 3.25Å; P237-D277 WeakPolarHBondContact CB-OD2 3.47Å; P237-V280 HydrophobicContact CB-CG2 4.02Å; P237-V280 WeakPolarHBondContact O-CG2 3.49Å |
| 238 | E | 96.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -31.4 | 179.9 | -81.1 | -61.6 | 136.8 | 0 | 0 | 113.4 | E236 K241 N242 | E236-E238 HydrophobicContact CG-CB 4.4Å; E236-E238 PolarHBondContact O-N 2.96Å; E238-K241 IonicContact OE1-NZ 2.64Å; E238-K241 PolarHBondContact OE1-NZ 3.21Å; E238-K241 VanDerWaalsContact OE2-CE 3.26Å; E238-K241 WeakPolarHBondContact OE2-CE 3.25Å; E238-K241 IonicContact OE2-NZ 3.63Å; E238-K241 PolarHBondContact OE2-NZ 3.26Å; E238-N242 PolarHBondContact O-N 3.2Å; E238-N242 PolarHBondContact O-ND2 3.3Å |
| 239 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.8 | -48.1 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | P196 R199 L231 D234 E236 P237 K241 N242 V243 | P196-V239 HydrophobicContact CB-CG2 4.27Å; P196-V239 WeakPolarHBondContact O-CG2 2.91Å; R199-V239 HydrophobicContact CB-CG2 4.05Å; L231-V239 HydrophobicContact CB-CG1 4.31Å; L231-V239 HydrophobicContact CD1-CG1 4.23Å; L231-V239 HydrophobicContact CD2-CG1 4.42Å; D234-V239 HydrophobicContact CB-CB 4.19Å; D234-V239 HydrophobicContact CB-CG1 3.88Å; E236-V239 HydrophobicContact CB-CB 4.29Å; E236-V239 HydrophobicContact CB-CG2 3.94Å; E236-V239 HydrophobicContact CG-CG2 4.2Å; E236-V239 PolarHBondContact O-N 3.48Å; P237-V239 VanDerWaalsContact C-N 3.27Å; P237-V239 PolarHBondContact O-N 2.98Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.09Å; V239-N242 PolarHBondContact O-N 3.16Å; V239-V243 HydrophobicContact CG1-CG2 4.31Å; V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.45Å; V239-V243 PolarHBondContact O-N 3.11Å |
| 240 | R | 97.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 38 Ų | 38 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 178.1 | -73 | -174 | -77.2 | 156.4 | 1.8 | 112.1 | D234 E235 E236 P237 N242 V243 C244 D275 V280 | D234-R240 WeakPolarHBondContact O-CD 3.32Å; D234-R240 WeakPolarHBondContact O-CG 3.35Å; D234-R240 PolarHBondContact O-NE 3.36Å; E235-R240 PolarHBondContact O-NE 3.1Å; E235-R240 PolarHBondContact O-NH2 2.9Å; E235-R240 VanDerWaalsContact O-NH2 3.1Å; E236-R240 PolarHBondContact O-N 3Å; E236-R240 VanDerWaalsContact O-N 3.1Å; P237-R240 PolarHBondContact O-N 3.11Å; R240-N242 PolarHBondContact O-N 2.76Å; R240-V243 PolarHBondContact O-N 2.87Å; R240-C244 PolarHBondContact O-N 3.1Å; R240-C244 PolarHBondContact O-SG 2.7Å; R240-D275 IonicContact CZ-OD1 2.7Å; R240-D275 IonicContact CZ-OD2 2.67Å; R240-D275 IonicContact NH1-OD1 3.73Å; R240-D275 PolarHBondContact NH1-OD1 3.26Å; R240-D275 IonicContact NH1-OD2 2.82Å; R240-D275 PolarHBondContact NH1-OD2 3.49Å; R240-D275 IonicContact NH2-OD1 2.62Å; R240-V280 HydrophobicContact CB-CG1 4.01Å; R240-V280 HydrophobicContact CB-CG2 4.34Å |
| 241 | K | 97.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 19% | 0.191 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.6 | -54 | 175.5 | -167.5 | -173 | 69.9 | -171.5 | 0 | 111.5 | P237 E238 V239 V243 C244 R245 N279 V280 E283 | P237-K241 VanDerWaalsContact O-CB 3.3Å; P237-K241 WeakPolarHBondContact O-CB 3.44Å; P237-K241 PolarHBondContact O-N 3.28Å; E238-K241 IonicContact OE1-NZ 2.64Å; E238-K241 PolarHBondContact OE1-NZ 3.21Å; E238-K241 VanDerWaalsContact OE2-CE 3.26Å; E238-K241 WeakPolarHBondContact OE2-CE 3.25Å; E238-K241 IonicContact OE2-NZ 3.63Å; E238-K241 PolarHBondContact OE2-NZ 3.26Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.09Å; K241-V243 VanDerWaalsContact C-N 3.32Å; K241-V243 PolarHBondContact O-N 3.15Å; K241-C244 PolarHBondContact O-N 3.05Å; K241-R245 PolarHBondContact O-N 2.65Å; K241-N279 HydrophobicContact CD-CB 4.15Å; K241-V280 HydrophobicContact CB-CG2 4.27Å; K241-E283 HydrophobicContact CD-CG 4.4Å; K241-E283 HydrophobicContact CG-CB 4.27Å; K241-E283 HydrophobicContact CG-CG 3.67Å |
| 242 | N | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -32 | 179.7 | -77.9 | -59.8 | 0 | 0 | 0 | 113.2 | S200 V203 N207 E238 V239 R240 A246 | S200-N242 PolarHBondContact OG-ND2 3.31Å; V203-N242 HydrophobicContact CB-CB 3.97Å; V203-N242 HydrophobicContact CG1-CB 3.71Å; N207-N242 PolarHBondContact ND2-O 3.39Å; E238-N242 PolarHBondContact O-N 3.2Å; E238-N242 PolarHBondContact O-ND2 3.3Å; V239-N242 PolarHBondContact O-N 3.16Å; R240-N242 PolarHBondContact O-N 2.76Å; N242-A246 VanDerWaalsContact O-CB 3.31Å; N242-A246 WeakPolarHBondContact O-CB 3.39Å; N242-A246 PolarHBondContact O-N 3.21Å |
| 243 | V | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -44 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L228 L231 V239 R240 K241 A246 L247 Y268 | L228-V243 HydrophobicContact CD2-CG1 4.46Å; L228-V243 HydrophobicContact CD2-CG2 4.13Å; L231-V243 HydrophobicContact CB-CG2 3.83Å; L231-V243 HydrophobicContact CD1-CG2 4.5Å; V239-V243 HydrophobicContact CG1-CG2 4.31Å; V239-V243 VanDerWaalsContact O-CG2 3.3Å; V239-V243 WeakPolarHBondContact O-CG2 3.45Å; V239-V243 PolarHBondContact O-N 3.11Å; R240-V243 PolarHBondContact O-N 2.87Å; K241-V243 VanDerWaalsContact C-N 3.32Å; K241-V243 PolarHBondContact O-N 3.15Å; V243-A246 WeakPolarHBondContact O-CB 3.49Å; V243-A246 PolarHBondContact O-N 2.96Å; V243-L247 HydrophobicContact CG1-CD1 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.3Å; V243-L247 PolarHBondContact O-N 3.1Å; V243-Y268 HydrophobicContact CG1-CE1 4.36Å |
| 244 | C | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -53 | 174.8 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | R240 K241 A246 L247 V248 M269 E283 A284 | R240-C244 PolarHBondContact O-N 3.1Å; R240-C244 PolarHBondContact O-SG 2.7Å; K241-C244 PolarHBondContact O-N 3.05Å; C244-A246 VanDerWaalsContact C-N 3.29Å; C244-A246 PolarHBondContact O-N 3.5Å; C244-L247 WeakPolarHBondContact O-CB 3.47Å; C244-L247 PolarHBondContact O-N 3.39Å; C244-V248 WeakPolarHBondContact O-CG2 3.36Å; C244-V248 PolarHBondContact O-N 3.37Å; C244-M269 HydrophobicContact CB-CE 4.01Å; C244-M269 HydrophobicContact CB-SD 4.49Å; C244-E283 HydrophobicContact CB-CB 4.08Å; C244-A284 HydrophobicContact CB-CB 4.43Å |
| 245 | R | 97.2 | Very high | 96.6 | Very high | 87 Ų | 87 | 35.8 Ų | 35.8 | 33% | 0.328 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.6 | -41 | 177.4 | -168.7 | 172.1 | 171.2 | -163.6 | -3.9 | 113 | K241 L247 V248 M249 E283 | K241-R245 PolarHBondContact O-N 2.65Å; R245-L247 VanDerWaalsContact C-N 3.35Å; R245-L247 PolarHBondContact O-N 3.09Å; R245-V248 PolarHBondContact O-N 2.86Å; R245-M249 HydrophobicContact CG-CE 3.84Å; R245-M249 HydrophobicContact CG-SD 4.33Å; R245-M249 WeakPolarHBondContact O-CG 3.31Å; R245-M249 PolarHBondContact O-N 3.5Å; R245-E283 WeakPolarHBondContact CB-OE2 3.45Å; R245-E283 WeakPolarHBondContact CG-OE2 3.43Å |
| 246 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | V203 N207 I210 F224 L228 N242 V243 C244 L250 | V203-A246 HydrophobicContact CG1-CB 4.42Å; N207-A246 WeakPolarHBondContact OD1-CB 3.45Å; I210-A246 HydrophobicContact CD1-CB 4.27Å; F224-A246 HydrophobicContact CZ-CB 3.98Å; L228-A246 HydrophobicContact CD1-CB 3.8Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.47Å; N242-A246 VanDerWaalsContact O-CB 3.31Å; N242-A246 WeakPolarHBondContact O-CB 3.39Å; N242-A246 PolarHBondContact O-N 3.21Å; V243-A246 WeakPolarHBondContact O-CB 3.49Å; V243-A246 PolarHBondContact O-N 2.96Å; C244-A246 VanDerWaalsContact C-N 3.29Å; C244-A246 PolarHBondContact O-N 3.5Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 WeakPolarHBondContact O-CG 3.45Å; A246-L250 PolarHBondContact O-N 2.85Å |
| 247 | L | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.1 | -37.8 | 178.7 | -70.5 | 170.6 | 0 | 0 | 0 | 112.2 | F229 V243 C244 R245 L250 L251 L258 I265 Y268 M269 | F229-L247 HydrophobicContact CE1-CD2 4.18Å; V243-L247 HydrophobicContact CG1-CD1 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.3Å; V243-L247 PolarHBondContact O-N 3.1Å; C244-L247 WeakPolarHBondContact O-CB 3.47Å; C244-L247 PolarHBondContact O-N 3.39Å; R245-L247 VanDerWaalsContact C-N 3.35Å; R245-L247 PolarHBondContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 3.45Å; L247-L251 PolarHBondContact O-N 3.2Å; L247-L258 HydrophobicContact CD2-CD2 4.5Å; L247-I265 HydrophobicContact CD1-CG2 4.49Å; L247-Y268 HydrophobicContact CD1-CD1 3.97Å; L247-Y268 HydrophobicContact CD1-CE1 3.92Å; L247-M269 HydrophobicContact CB-CE 4.41Å; L247-M269 HydrophobicContact CD1-SD 3.95Å |
| 248 | V | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 9% | 0.085 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -54.6 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | C244 R245 L250 L251 M269 E286 F287 T290 | C244-V248 WeakPolarHBondContact O-CG2 3.36Å; C244-V248 PolarHBondContact O-N 3.37Å; R245-V248 PolarHBondContact O-N 2.86Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 2.89Å; V248-L251 WeakPolarHBondContact O-CA 3.25Å; V248-L251 WeakPolarHBondContact O-CB 3.39Å; V248-L251 PolarHBondContact O-N 3.45Å; V248-M269 HydrophobicContact CG2-CE 4.04Å; V248-E286 HydrophobicContact CG1-CB 4.13Å; V248-E286 HydrophobicContact CG2-CB 4.07Å; V248-F287 HydrophobicContact CG2-CB 3.92Å; V248-T290 WeakPolarHBondContact CG1-OG1 3.16Å |
| 249 | M | 97.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 179.1 | -66.6 | 173 | 170.7 | 0 | 0 | 112.4 | N207 I210 I211 R245 L251 E252 V253 | N207-M249 HydrophobicContact CB-SD 4.14Å; I210-M249 HydrophobicContact CB-CB 3.91Å; I210-M249 HydrophobicContact CB-SD 4.35Å; I210-M249 HydrophobicContact CD1-CB 3.95Å; I210-M249 HydrophobicContact CD1-SD 4.05Å; I210-M249 HydrophobicContact CG2-CB 3.56Å; I211-M249 HydrophobicContact CD1-CB 3.75Å; I211-M249 HydrophobicContact CD1-CG 3.95Å; I211-M249 HydrophobicContact CG1-CB 4.33Å; I211-M249 HydrophobicContact CG1-CG 4.16Å; R245-M249 HydrophobicContact CG-CE 3.84Å; R245-M249 HydrophobicContact CG-SD 4.33Å; R245-M249 WeakPolarHBondContact O-CG 3.31Å; R245-M249 PolarHBondContact O-N 3.5Å; M249-L251 PolarHBondContact O-N 3.05Å; M249-E252 PolarHBondContact O-N 3.09Å; M249-V253 WeakPolarHBondContact O-CG2 3.4Å; M249-V253 PolarHBondContact O-N 3.25Å |
| 250 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -27.6 | 176.2 | -77.2 | 172.4 | 0 | 0 | 0 | 112.7 | I210 I221 F224 I225 L228 A246 L247 V248 E252 R254 M255 L258 | I210-L250 HydrophobicContact CD1-CG 4.5Å; I210-L250 HydrophobicContact CG2-CD2 4.03Å; I210-L250 HydrophobicContact CG2-CG 4.24Å; I221-L250 HydrophobicContact CD1-CD2 3.66Å; F224-L250 HydrophobicContact CD1-CD1 4.1Å; F224-L250 HydrophobicContact CD1-CD2 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.79Å; F224-L250 HydrophobicContact CE1-CD2 4.2Å; F224-L250 HydrophobicContact CE1-CG 4.15Å; I225-L250 HydrophobicContact CG1-CD1 4.02Å; L228-L250 HydrophobicContact CD1-CD1 3.65Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 WeakPolarHBondContact O-CG 3.45Å; A246-L250 PolarHBondContact O-N 2.85Å; L247-L250 PolarHBondContact O-N 3.45Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 2.89Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-R254 HydrophobicContact CD2-CB 4.23Å; L250-R254 CarbonylContact O-C 3.48Å; L250-R254 VanDerWaalsContact O-CA 3.31Å; L250-R254 WeakPolarHBondContact O-CA 3.41Å; L250-R254 PolarHBondContact O-N 3.32Å; L250-M255 PolarHBondContact O-N 3.01Å; L250-L258 HydrophobicContact CB-CD1 3.83Å; L250-L258 HydrophobicContact CB-CD2 4.36Å; L250-L258 HydrophobicContact CB-CG 4.35Å; L250-L258 HydrophobicContact CD1-CD2 4.4Å |
| 251 | L | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.1 | -163.5 | 67.7 | 0 | 0 | 0 | 111.2 | L247 V248 M249 M255 L258 M262 F287 T290 L291 | L247-L251 PolarHBondContact O-N 3.2Å; V248-L251 WeakPolarHBondContact O-CA 3.25Å; V248-L251 WeakPolarHBondContact O-CB 3.39Å; V248-L251 PolarHBondContact O-N 3.45Å; M249-L251 PolarHBondContact O-N 3.05Å; L251-M255 HydrophobicContact CD1-CE 3.24Å; L251-M255 HydrophobicContact CD1-SD 3.79Å; L251-M255 HydrophobicContact CG-CE 3.68Å; L251-L258 HydrophobicContact CB-CD1 4.41Å; L251-L258 HydrophobicContact CD1-CD1 4.14Å; L251-M262 HydrophobicContact CD1-CE 3.84Å; L251-M262 HydrophobicContact CD1-SD 4.5Å; L251-F287 HydrophobicContact CD1-CE2 3.98Å; L251-F287 HydrophobicContact CD1-CZ 4.33Å; L251-F287 HydrophobicContact CD2-CD2 3.93Å; L251-F287 HydrophobicContact CD2-CE2 3.77Å; L251-F287 HydrophobicContact CD2-CZ 4.25Å; L251-F287 HydrophobicContact CG-CE2 4.39Å; L251-T290 HydrophobicContact CB-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 3.93Å; L251-T290 HydrophobicContact CG-CG2 4.34Å; L251-L291 HydrophobicContact CD1-CD1 4.34Å; L251-L291 HydrophobicContact CD2-CB 3.73Å; L251-L291 HydrophobicContact CD2-CD1 4.18Å |
| 252 | E | 94.3 | Very high | 95.9 | Very high | 87 Ų | 87 | 34.9 Ų | 34.9 | 41% | 0.407 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.6 | -45.3 | 179.1 | -65 | 177.1 | -164.3 | 0 | 0 | 112.6 | I211 M249 L250 T290 | I211-E252 VanDerWaalsContact CD1-OE2 3.28Å; I211-E252 WeakPolarHBondContact CD1-OE2 3.43Å; M249-E252 PolarHBondContact O-N 3.09Å; L250-E252 VanDerWaalsContact C-N 3.33Å; E252-T290 HydrophobicContact CG-CG2 3.29Å |
| 253 | V | 95.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.085 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -98.5 | -28.2 | -169.5 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | I210 I211 R213 M249 | I210-V253 HydrophobicContact CG2-CG2 3.53Å; I211-V253 HydrophobicContact CD1-CG1 4.2Å; R213-V253 HydrophobicContact CG-CB 4.22Å; R213-V253 HydrophobicContact CG-CG1 4.1Å; M249-V253 WeakPolarHBondContact O-CG2 3.4Å; M249-V253 PolarHBondContact O-N 3.25Å |
| 254 | R | 94.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -139.2 | 40.9 | -169.7 | -66.3 | -56.4 | -60.4 | -97.4 | 4.6 | 113 | M218 I221 L250 D256 R257 L258 | M218-R254 HydrophobicContact SD-CG 4Å; M218-R254 PolarHBondContact SD-NH1 3.02Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.37Å; L250-R254 HydrophobicContact CD2-CB 4.23Å; L250-R254 CarbonylContact O-C 3.48Å; L250-R254 VanDerWaalsContact O-CA 3.31Å; L250-R254 WeakPolarHBondContact O-CA 3.41Å; L250-R254 PolarHBondContact O-N 3.32Å; R254-D256 VanDerWaalsContact C-OD1 3.31Å; R254-D256 VanDerWaalsContact CA-OD1 3.26Å; R254-D256 WeakPolarHBondContact CA-OD1 3.49Å; R254-D256 IonicContact CZ-OD1 2.77Å; R254-D256 IonicContact CZ-OD2 3.52Å; R254-D256 IonicContact NE-OD1 3.57Å; R254-D256 PolarHBondContact NE-OD1 3.22Å; R254-D256 IonicContact NE-OD2 2.84Å; R254-D256 IonicContact NH2-OD1 3.96Å; R254-D256 IonicContact NH2-OD2 2.85Å; R254-D256 PolarHBondContact NH2-OD2 2.83Å; R254-D256 VanDerWaalsContact NH2-OD2 3.08Å; R254-D256 PolarHBondContact O-N 2.79Å; R254-D256 VanDerWaalsContact O-N 3.11Å; R254-R257 VanDerWaalsContact NH2-NH1 3.1Å; R254-R257 PolarHBondContact O-N 3.45Å; R254-L258 PolarHBondContact O-N 3.15Å |
| 255 | M | 93.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -46.4 | -39.9 | 169.3 | 180 | 63.9 | 76.3 | 0 | 0 | 112.1 | L250 L251 R257 L258 L259 M262 L291 Q294 I296 | L250-M255 PolarHBondContact O-N 3.01Å; L251-M255 HydrophobicContact CD1-CE 3.24Å; L251-M255 HydrophobicContact CD1-SD 3.79Å; L251-M255 HydrophobicContact CG-CE 3.68Å; M255-R257 PolarHBondContact O-N 3.25Å; M255-L258 PolarHBondContact O-N 3.33Å; M255-L259 HydrophobicContact CG-CD1 4.29Å; M255-L259 HydrophobicContact CG-CD2 4.21Å; M255-L259 HydrophobicContact CG-CG 4.01Å; M255-L259 WeakPolarHBondContact O-CG 3.28Å; M255-L259 PolarHBondContact O-N 2.63Å; M255-L259 HydrophobicContact SD-CD2 3.88Å; M255-L259 HydrophobicContact SD-CG 4.11Å; M255-M262 HydrophobicContact CE-CE 4.44Å; M255-M262 HydrophobicContact SD-CE 3.44Å; M255-M262 WeakPolarHBondContact SD-CE 3.39Å; M255-L291 HydrophobicContact CE-CD1 4.35Å; M255-Q294 HydrophobicContact CE-CB 3.98Å; M255-Q294 HydrophobicContact CE-CG 3.55Å; M255-I296 HydrophobicContact CE-CG2 4.35Å; M255-I296 HydrophobicContact SD-CG2 4.5Å |
| 256 | D | 93.3 | Very high | 95.4 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -48.6 | -36.8 | 178 | 68.1 | -56.7 | 0 | 0 | 0 | 113.4 | R254 | R254-D256 VanDerWaalsContact C-OD1 3.31Å; R254-D256 VanDerWaalsContact CA-OD1 3.26Å; R254-D256 WeakPolarHBondContact CA-OD1 3.49Å; R254-D256 IonicContact CZ-OD1 2.77Å; R254-D256 IonicContact CZ-OD2 3.52Å; R254-D256 IonicContact NE-OD1 3.57Å; R254-D256 PolarHBondContact NE-OD1 3.22Å; R254-D256 IonicContact NE-OD2 2.84Å; R254-D256 IonicContact NH2-OD1 3.96Å; R254-D256 IonicContact NH2-OD2 2.85Å; R254-D256 PolarHBondContact NH2-OD2 2.83Å; R254-D256 VanDerWaalsContact NH2-OD2 3.08Å; R254-D256 PolarHBondContact O-N 2.79Å; R254-D256 VanDerWaalsContact O-N 3.11Å |
| 257 | R | 94.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -89.1 | -24.7 | -179.3 | -65.7 | -59.6 | -117.3 | -98.7 | 2.4 | 114.3 | I221 D222 I225 R254 M255 P260 | I221-R257 HydrophobicContact CG2-CG 4.41Å; D222-R257 IonicContact OD1-CZ 2.8Å; D222-R257 IonicContact OD1-NE 2.82Å; D222-R257 PolarHBondContact OD1-NE 2.9Å; D222-R257 IonicContact OD1-NH2 3.23Å; D222-R257 PolarHBondContact OD1-NH2 3.27Å; D222-R257 IonicContact OD2-CZ 2.77Å; D222-R257 IonicContact OD2-NH2 3.98Å; D222-R257 PolarHBondContact OD2-NH2 3.5Å; I225-R257 HydrophobicContact CD1-CB 3.51Å; I225-R257 HydrophobicContact CD1-CG 4.32Å; R254-R257 VanDerWaalsContact NH2-NH1 3.1Å; R254-R257 PolarHBondContact O-N 3.45Å; M255-R257 PolarHBondContact O-N 3.25Å; R257-P260 WeakPolarHBondContact O-CD 3.44Å |
| 258 | L | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.5 | -29.5 | 179.3 | -60.7 | -171.6 | 0 | 0 | 0 | 112.3 | I225 L247 L250 L251 R254 M255 P260 H261 M262 I265 | I225-L258 HydrophobicContact CD1-CD2 4.15Å; I225-L258 HydrophobicContact CG1-CD2 4.42Å; L247-L258 HydrophobicContact CD2-CD2 4.5Å; L250-L258 HydrophobicContact CB-CD1 3.83Å; L250-L258 HydrophobicContact CB-CD2 4.36Å; L250-L258 HydrophobicContact CB-CG 4.35Å; L250-L258 HydrophobicContact CD1-CD2 4.4Å; L251-L258 HydrophobicContact CB-CD1 4.41Å; L251-L258 HydrophobicContact CD1-CD1 4.14Å; R254-L258 PolarHBondContact O-N 3.15Å; M255-L258 PolarHBondContact O-N 3.33Å; L258-P260 VanDerWaalsContact C-CD 3.41Å; L258-H261 CarbonylContact O-C 3.49Å; L258-H261 WeakPolarHBondContact O-CA 3.33Å; L258-H261 PolarHBondContact O-N 3.23Å; L258-M262 HydrophobicContact CB-CE 3.82Å; L258-M262 PolarHBondContact O-N 3.27Å; L258-I265 HydrophobicContact CB-CD1 3.91Å; L258-I265 HydrophobicContact CD1-CD1 4.49Å; L258-I265 HydrophobicContact CD2-CD1 3.98Å; L258-I265 HydrophobicContact CG-CD1 4.35Å |
| 259 | L | 93.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 44 Ų | 44 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -47.8 | -45.1 | -177 | -76.5 | 173.5 | 0 | 0 | 0 | 115.2 | M255 H261 M262 I296 | M255-L259 HydrophobicContact CG-CD1 4.29Å; M255-L259 HydrophobicContact CG-CD2 4.21Å; M255-L259 HydrophobicContact CG-CG 4.01Å; M255-L259 WeakPolarHBondContact O-CG 3.28Å; M255-L259 PolarHBondContact O-N 2.63Å; M255-L259 HydrophobicContact SD-CD2 3.88Å; M255-L259 HydrophobicContact SD-CG 4.11Å; L259-H261 PolarHBondContact O-N 2.85Å; L259-H261 VanDerWaalsContact O-N 3.13Å; L259-M262 HydrophobicContact CD2-CE 4.42Å; L259-M262 WeakPolarHBondContact O-CB 3.19Å; L259-M262 PolarHBondContact O-N 2.99Å; L259-I296 HydrophobicContact CD2-CD1 3.66Å |
| 260 | P | 95 | Very high | 95.4 | Very high | 100 Ų | 100 | 42.9 Ų | 42.9 | 65% | 0.649 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -61.8 | -22.5 | 178.6 | -22.8 | 34.8 | 0 | 0 | 0 | 114.3 | R257 L258 | R257-P260 WeakPolarHBondContact O-CD 3.44Å; L258-P260 VanDerWaalsContact C-CD 3.41Å |
| 261 | H | 95.1 | Very high | 95.4 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -111.5 | 3.4 | -176.2 | -56.9 | -69.3 | 0 | 0 | 0 | 112.7 | F229 L258 L259 H263 N264 I265 | F229-H261 HydrophobicContact CE2-CB 3.95Å; F229-H261 AromaticContact CE2-CD2 3.71Å; F229-H261 AromaticContact CE2-CG 3.63Å; F229-H261 HydrophobicContact CZ-CB 3.74Å; F229-H261 AromaticContact CZ-CG 3.94Å; L258-H261 CarbonylContact O-C 3.49Å; L258-H261 WeakPolarHBondContact O-CA 3.33Å; L258-H261 PolarHBondContact O-N 3.23Å; L259-H261 PolarHBondContact O-N 2.85Å; L259-H261 VanDerWaalsContact O-N 3.13Å; H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 3.22Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H261-N264 PolarHBondContact O-N 3.06Å; H261-I265 HydrophobicContact CB-CD1 4.11Å; H261-I265 HydrophobicContact CB-CG1 4.4Å; H261-I265 PolarHBondContact O-N 3.07Å; H261-I265 VanDerWaalsContact O-N 3.08Å |
| 262 | M | 94.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | -166.4 | -169 | 57.6 | 68.4 | 0 | 0 | 113.4 | L251 M255 L258 L259 N264 I265 V266 F287 V300 | L251-M262 HydrophobicContact CD1-CE 3.84Å; L251-M262 HydrophobicContact CD1-SD 4.5Å; M255-M262 HydrophobicContact CE-CE 4.44Å; M255-M262 HydrophobicContact SD-CE 3.44Å; M255-M262 WeakPolarHBondContact SD-CE 3.39Å; L258-M262 HydrophobicContact CB-CE 3.82Å; L258-M262 PolarHBondContact O-N 3.27Å; L259-M262 HydrophobicContact CD2-CE 4.42Å; L259-M262 WeakPolarHBondContact O-CB 3.19Å; L259-M262 PolarHBondContact O-N 2.99Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.01Å; M262-I265 PolarHBondContact O-N 2.7Å; M262-V266 HydrophobicContact CG-CG2 4.24Å; M262-V266 WeakPolarHBondContact O-CB 3.35Å; M262-V266 VanDerWaalsContact O-CG2 3.3Å; M262-V266 WeakPolarHBondContact O-CG2 3.38Å; M262-V266 PolarHBondContact O-N 3.22Å; M262-V266 HydrophobicContact SD-CG2 4.24Å; M262-F287 HydrophobicContact SD-CZ 4.13Å; M262-V300 HydrophobicContact CG-CB 4.26Å; M262-V300 HydrophobicContact CG-CG1 3.39Å; M262-V300 HydrophobicContact CG-CG2 3.8Å; M262-V300 HydrophobicContact SD-CG1 4.13Å |
| 263 | H | 93.9 | Very high | 95.6 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58 | -43.8 | 176.6 | 177.6 | 37.7 | 0 | 0 | 0 | 112.7 | H261 E267 H304 | H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 3.22Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H263-E267 PolarHBondContact O-N 3.36Å; H263-E267 VanDerWaalsContact O-N 3.11Å; H263-H304 AromaticContact CE1-CE1 3.66Å; H263-H304 AromaticContact CE1-NE2 3.33Å; H263-H304 PolarHBondContact CE1-NE2 2.69Å; H263-H304 VanDerWaalsContact CE1-NE2 3.33Å; H263-H304 AromaticContact ND1-CE1 3.2Å; H263-H304 PolarHBondContact ND1-CE1 2.92Å; H263-H304 AromaticContact ND1-NE2 3.25Å; H263-H304 PolarHBondContact ND1-NE2 2.78Å |
| 264 | N | 94.6 | Very high | 95.7 | Very high | 110 Ų | 110 | 49.8 Ų | 49.8 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -72.7 | -35.3 | 179.9 | -62.2 | -24.1 | 0 | 0 | 0 | 111.1 | H261 M262 E267 Y268 | H261-N264 PolarHBondContact O-N 3.06Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.01Å; N264-E267 PolarHBondContact O-N 3.24Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.41Å; N264-Y268 PolarHBondContact O-N 2.68Å |
| 265 | I | 96.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 175.7 | -64.2 | 169.5 | 0 | 0 | 0 | 109.6 | F229 L247 L258 H261 M262 E267 Y268 M269 F287 | F229-I265 HydrophobicContact CE1-CD1 4.13Å; F229-I265 HydrophobicContact CE1-CG1 3.95Å; F229-I265 HydrophobicContact CZ-CD1 4.05Å; F229-I265 HydrophobicContact CZ-CG1 4.22Å; L247-I265 HydrophobicContact CD1-CG2 4.49Å; L258-I265 HydrophobicContact CB-CD1 3.91Å; L258-I265 HydrophobicContact CD1-CD1 4.49Å; L258-I265 HydrophobicContact CD2-CD1 3.98Å; L258-I265 HydrophobicContact CG-CD1 4.35Å; H261-I265 HydrophobicContact CB-CD1 4.11Å; H261-I265 HydrophobicContact CB-CG1 4.4Å; H261-I265 PolarHBondContact O-N 3.07Å; H261-I265 VanDerWaalsContact O-N 3.08Å; M262-I265 PolarHBondContact O-N 2.7Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-E267 PolarHBondContact O-N 3.44Å; I265-Y268 WeakPolarHBondContact O-CB 3.45Å; I265-Y268 PolarHBondContact O-N 3.23Å; I265-Y268 VanDerWaalsContact O-N 3.14Å; I265-M269 HydrophobicContact CG2-CG 4.1Å; I265-M269 VanDerWaalsContact O-CG 3.31Å; I265-M269 WeakPolarHBondContact O-CG 3.09Å; I265-M269 PolarHBondContact O-N 3.06Å; I265-F287 HydrophobicContact CG2-CE2 3.66Å; I265-F287 HydrophobicContact CG2-CZ 3.69Å |
| 266 | V | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | M262 Y268 M269 L270 F287 W288 V300 L301 H304 | M262-V266 HydrophobicContact CG-CG2 4.24Å; M262-V266 WeakPolarHBondContact O-CB 3.35Å; M262-V266 VanDerWaalsContact O-CG2 3.3Å; M262-V266 WeakPolarHBondContact O-CG2 3.38Å; M262-V266 PolarHBondContact O-N 3.22Å; M262-V266 HydrophobicContact SD-CG2 4.24Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.13Å; V266-M269 PolarHBondContact O-N 3.28Å; V266-L270 VanDerWaalsContact O-CB 3.24Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3.16Å; V266-F287 HydrophobicContact CG2-CE1 4.17Å; V266-F287 HydrophobicContact CG2-CZ 4.42Å; V266-W288 HydrophobicContact CG1-CH2 3.99Å; V266-W288 HydrophobicContact CG1-CZ3 4.06Å; V266-V300 HydrophobicContact CG2-CG1 3.58Å; V266-L301 HydrophobicContact CG1-CD2 4.25Å; V266-H304 HydrophobicContact CG1-CB 3.83Å; V266-H304 VanDerWaalsContact CG1-CG 3.48Å |
| 267 | E | 96.2 | Very high | 96 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.7 | -169.2 | 69.8 | -153.5 | 0 | 0 | 111.2 | H263 N264 I265 Q271 H304 | H263-E267 PolarHBondContact O-N 3.36Å; H263-E267 VanDerWaalsContact O-N 3.11Å; N264-E267 PolarHBondContact O-N 3.24Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-E267 PolarHBondContact O-N 3.44Å; E267-Q271 VanDerWaalsContact O-CG 3.27Å; E267-Q271 WeakPolarHBondContact O-CG 3.28Å; E267-Q271 PolarHBondContact O-N 2.8Å; E267-Q271 VanDerWaalsContact O-N 3.16Å; E267-H304 IonicContact OE2-CD2 3.12Å; E267-H304 IonicContact OE2-NE2 3.36Å |
| 268 | Y | 97.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 11% | 0.114 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 175.6 | 171.9 | -99.8 | 0 | 0 | 0 | 111.9 | A232 V243 L247 N264 I265 V266 L270 Q271 R272 | A232-Y268 HydrophobicContact CB-CD2 4.02Å; A232-Y268 HydrophobicContact CB-CE2 3.77Å; A232-Y268 VanDerWaalsContact O-CE2 3.23Å; A232-Y268 WeakPolarHBondContact O-CE2 3.24Å; V243-Y268 HydrophobicContact CG1-CE1 4.36Å; L247-Y268 HydrophobicContact CD1-CD1 3.97Å; L247-Y268 HydrophobicContact CD1-CE1 3.92Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.41Å; N264-Y268 PolarHBondContact O-N 2.68Å; I265-Y268 WeakPolarHBondContact O-CB 3.45Å; I265-Y268 PolarHBondContact O-N 3.23Å; I265-Y268 VanDerWaalsContact O-N 3.14Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.13Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.46Å; Y268-Q271 PolarHBondContact O-N 3.17Å; Y268-R272 HydrophobicContact CD1-CG 4.22Å; Y268-R272 HydrophobicContact CD2-CG 4.18Å; Y268-R272 HydrophobicContact CE1-CG 3.75Å; Y268-R272 HydrophobicContact CE2-CG 3.7Å; Y268-R272 VanDerWaalsContact CE2-NH1 3.31Å; Y268-R272 HydrophobicContact CG-CG 4.42Å; Y268-R272 VanDerWaalsContact CZ-CG 3.47Å; Y268-R272 WeakPolarHBondContact O-CG 3.41Å; Y268-R272 PolarHBondContact O-N 3.18Å |
| 269 | M | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | -179.2 | -62.2 | -54.7 | -91.9 | 0 | 0 | 110.6 | C244 L247 V248 I265 V266 Q271 R272 T273 A284 F287 W288 | C244-M269 HydrophobicContact CB-CE 4.01Å; C244-M269 HydrophobicContact CB-SD 4.49Å; L247-M269 HydrophobicContact CB-CE 4.41Å; L247-M269 HydrophobicContact CD1-SD 3.95Å; V248-M269 HydrophobicContact CG2-CE 4.04Å; I265-M269 HydrophobicContact CG2-CG 4.1Å; I265-M269 VanDerWaalsContact O-CG 3.31Å; I265-M269 WeakPolarHBondContact O-CG 3.09Å; I265-M269 PolarHBondContact O-N 3.06Å; V266-M269 PolarHBondContact O-N 3.28Å; M269-Q271 VanDerWaalsContact C-N 3.29Å; M269-Q271 PolarHBondContact O-N 2.94Å; M269-R272 CarbonylContact O-C 3.52Å; M269-R272 PolarHBondContact O-N 2.99Å; M269-T273 PolarHBondContact O-N 3.03Å; M269-T273 PolarHBondContact O-OG1 2.93Å; M269-A284 HydrophobicContact CE-CB 4.4Å; M269-F287 HydrophobicContact CB-CB 4.43Å; M269-F287 HydrophobicContact CB-CD1 3.91Å; M269-F287 HydrophobicContact CB-CE1 4.37Å; M269-F287 HydrophobicContact CB-CG 4.12Å; M269-F287 HydrophobicContact CE-CB 3.43Å; M269-F287 VanDerWaalsContact CE-CB 3.43Å; M269-F287 HydrophobicContact CE-CD2 3.83Å; M269-F287 HydrophobicContact CE-CG 3.79Å; M269-F287 HydrophobicContact CG-CB 4.24Å; M269-F287 HydrophobicContact CG-CD1 3.92Å; M269-F287 HydrophobicContact CG-CD2 3.9Å; M269-F287 HydrophobicContact CG-CE1 4.24Å; M269-F287 HydrophobicContact CG-CE2 4.22Å; M269-F287 HydrophobicContact CG-CG 3.75Å; M269-F287 HydrophobicContact CG-CZ 4.39Å; M269-W288 HydrophobicContact CB-CH2 4.05Å; M269-W288 HydrophobicContact CB-CZ2 3.88Å |
| 270 | L | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 176.6 | -176.7 | 64.5 | 0 | 0 | 0 | 112.5 | V266 Y268 Q274 W288 K307 L308 V311 | V266-L270 VanDerWaalsContact O-CB 3.24Å; V266-L270 WeakPolarHBondContact O-CB 3.43Å; V266-L270 PolarHBondContact O-N 3.16Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.46Å; L270-Q274 PolarHBondContact O-NE2 3.09Å; L270-W288 HydrophobicContact CB-CH2 4.13Å; L270-W288 HydrophobicContact CB-CZ2 4Å; L270-W288 HydrophobicContact CD1-CZ2 4.35Å; L270-K307 HydrophobicContact CD2-CB 3.97Å; L270-K307 HydrophobicContact CD2-CD 4.25Å; L270-L308 HydrophobicContact CD1-CB 4.27Å; L270-L308 HydrophobicContact CD1-CD1 3.95Å; L270-V311 HydrophobicContact CD1-CB 4.36Å; L270-V311 HydrophobicContact CD1-CG1 4.49Å; L270-V311 HydrophobicContact CD1-CG2 4.13Å |
| 271 | Q | 96.8 | Very high | 96.1 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.9 | -37.1 | 173.9 | -64.5 | -63.9 | -31.5 | 0 | 0 | 111.8 | E267 Y268 M269 Q274 | E267-Q271 VanDerWaalsContact O-CG 3.27Å; E267-Q271 WeakPolarHBondContact O-CG 3.28Å; E267-Q271 PolarHBondContact O-N 2.8Å; E267-Q271 VanDerWaalsContact O-N 3.16Å; Y268-Q271 PolarHBondContact O-N 3.17Å; M269-Q271 VanDerWaalsContact C-N 3.29Å; M269-Q271 PolarHBondContact O-N 2.94Å; Q271-Q274 PolarHBondContact O-N 3.41Å |
| 272 | R | 97.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.7 | -31 | 178.3 | -66.4 | -64.2 | 86.3 | 86.3 | 7.1 | 113.1 | Y268 M269 Q274 D275 V280 A281 A284 | Y268-R272 HydrophobicContact CD1-CG 4.22Å; Y268-R272 HydrophobicContact CD2-CG 4.18Å; Y268-R272 HydrophobicContact CE1-CG 3.75Å; Y268-R272 HydrophobicContact CE2-CG 3.7Å; Y268-R272 VanDerWaalsContact CE2-NH1 3.31Å; Y268-R272 HydrophobicContact CG-CG 4.42Å; Y268-R272 VanDerWaalsContact CZ-CG 3.47Å; Y268-R272 WeakPolarHBondContact O-CG 3.41Å; Y268-R272 PolarHBondContact O-N 3.18Å; M269-R272 CarbonylContact O-C 3.52Å; M269-R272 PolarHBondContact O-N 2.99Å; R272-Q274 PolarHBondContact O-N 3.37Å; R272-Q274 VanDerWaalsContact O-N 3.13Å; R272-D275 IonicContact CZ-OD2 3.52Å; R272-D275 IonicContact NE-OD2 2.73Å; R272-D275 PolarHBondContact NE-OD2 3.43Å; R272-D275 VanDerWaalsContact O-CB 3.29Å; R272-D275 WeakPolarHBondContact O-CB 3.26Å; R272-D275 PolarHBondContact O-N 3.15Å; R272-V280 HydrophobicContact CB-CG1 4.5Å; R272-A281 VanDerWaalsContact O-CA 3.31Å; R272-A281 WeakPolarHBondContact O-CA 3.31Å; R272-A284 HydrophobicContact CB-CB 3.48Å; R272-A284 VanDerWaalsContact CB-CB 3.48Å |
| 273 | T | 98.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.043 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.1 | 171.2 | -53 | 0 | 0 | 0 | 0 | 112 | M269 A281 C285 W288 V311 | M269-T273 PolarHBondContact O-N 3.03Å; M269-T273 PolarHBondContact O-OG1 2.93Å; T273-A281 WeakPolarHBondContact O-CB 3.21Å; T273-C285 HydrophobicContact CG2-CB 4.01Å; T273-W288 PolarHBondContact OG1-NE1 3.45Å; T273-V311 HydrophobicContact CG2-CG1 3.83Å |
| 274 | Q | 97.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 46.9 Ų | 46.9 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 17.2 | 175.7 | -63.9 | 170.2 | 87.4 | 0 | 0 | 112.6 | L270 Q271 R272 V311 | L270-Q274 PolarHBondContact O-NE2 3.09Å; Q271-Q274 PolarHBondContact O-N 3.41Å; R272-Q274 PolarHBondContact O-N 3.37Å; R272-Q274 VanDerWaalsContact O-N 3.13Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.4Å; Q274-V311 HydrophobicContact CG-CG1 3.6Å; Q274-V311 HydrophobicContact CG-CG2 3.86Å |
| 275 | D | 97.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -62.1 | 154.9 | 177.9 | -132.4 | -78.7 | 0 | 0 | 0 | 112 | R240 R272 D277 V280 A281 | R240-D275 IonicContact CZ-OD1 2.7Å; R240-D275 IonicContact CZ-OD2 2.67Å; R240-D275 IonicContact NH1-OD1 3.73Å; R240-D275 PolarHBondContact NH1-OD1 3.26Å; R240-D275 IonicContact NH1-OD2 2.82Å; R240-D275 PolarHBondContact NH1-OD2 3.49Å; R240-D275 IonicContact NH2-OD1 2.62Å; R272-D275 IonicContact CZ-OD2 3.52Å; R272-D275 IonicContact NE-OD2 2.73Å; R272-D275 PolarHBondContact NE-OD2 3.43Å; R272-D275 VanDerWaalsContact O-CB 3.29Å; R272-D275 WeakPolarHBondContact O-CB 3.26Å; R272-D275 PolarHBondContact O-N 3.15Å; D275-D277 VanDerWaalsContact C-N 3.32Å; D275-V280 HydrophobicContact CB-CB 4.03Å; D275-V280 HydrophobicContact CB-CG1 3.94Å; D275-A281 HydrophobicContact CB-CB 4.44Å | ||
| 276 | Q | 94.1 | Very high | 96.7 | Very high | 184 Ų | 184 | 43.4 Ų | 43.4 | 86% | 0.86 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -78.2 | -23.6 | 175.6 | -60.7 | -63.3 | -63.4 | 0 | 0 | 111.7 | ||
| 277 | D | 95 | Very high | 96.7 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -84.4 | 112.1 | 170.8 | -169.6 | -45.1 | 0 | 0 | 0 | 109 | P237 D275 N279 V280 A281 | P237-D277 HydrophobicContact CB-CB 4.41Å; P237-D277 VanDerWaalsContact CB-OD2 3.25Å; P237-D277 WeakPolarHBondContact CB-OD2 3.47Å; D275-D277 VanDerWaalsContact C-N 3.32Å; D277-N279 PolarHBondContact O-N 2.86Å; D277-N279 WeakPolarHBondContact OD1-CB 3.18Å; D277-N279 PolarHBondContact OD1-N 3.43Å; D277-N279 PolarHBondContact OD1-ND2 2.99Å; D277-V280 HydrophobicContact CB-CB 4.24Å; D277-V280 HydrophobicContact CB-CG2 3.93Å; D277-V280 PolarHBondContact O-N 2.76Å; D277-A281 PolarHBondContact O-N 3.26Å |
| 278 | E | 92.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.3 | -30.7 | -177.4 | -67.9 | -175.9 | 165.5 | 0 | 0 | 112.8 | A281 L282 | E278-A281 PolarHBondContact O-N 3.06Å; E278-L282 VanDerWaalsContact O-CB 3.3Å; E278-L282 WeakPolarHBondContact O-CB 3.32Å; E278-L282 PolarHBondContact O-N 2.97Å |
| 279 | N | 93.5 | Very high | 96.6 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.6 | -36.8 | 178.2 | -53.2 | -73.1 | 0 | 0 | 0 | 111.4 | K241 D277 E283 | K241-N279 HydrophobicContact CD-CB 4.15Å; D277-N279 PolarHBondContact O-N 2.86Å; D277-N279 WeakPolarHBondContact OD1-CB 3.18Å; D277-N279 PolarHBondContact OD1-N 3.43Å; D277-N279 PolarHBondContact OD1-ND2 2.99Å; N279-E283 VanDerWaalsContact O-CG 3.22Å; N279-E283 WeakPolarHBondContact O-CG 3.36Å; N279-E283 PolarHBondContact O-N 3.47Å |
| 280 | V | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -41.4 | 175 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | P237 R240 K241 R272 D275 D277 A284 | P237-V280 HydrophobicContact CB-CG2 4.02Å; P237-V280 WeakPolarHBondContact O-CG2 3.49Å; R240-V280 HydrophobicContact CB-CG1 4.01Å; R240-V280 HydrophobicContact CB-CG2 4.34Å; K241-V280 HydrophobicContact CB-CG2 4.27Å; R272-V280 HydrophobicContact CB-CG1 4.5Å; D275-V280 HydrophobicContact CB-CB 4.03Å; D275-V280 HydrophobicContact CB-CG1 3.94Å; D277-V280 HydrophobicContact CB-CB 4.24Å; D277-V280 HydrophobicContact CB-CG2 3.93Å; D277-V280 PolarHBondContact O-N 2.76Å; V280-A284 VanDerWaalsContact O-CB 3.27Å; V280-A284 WeakPolarHBondContact O-CB 3.43Å; V280-A284 PolarHBondContact O-N 3.37Å |
| 281 | A | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R272 T273 D275 D277 E278 A284 C285 L383 | R272-A281 VanDerWaalsContact O-CA 3.31Å; R272-A281 WeakPolarHBondContact O-CA 3.31Å; T273-A281 WeakPolarHBondContact O-CB 3.21Å; D275-A281 HydrophobicContact CB-CB 4.44Å; D277-A281 PolarHBondContact O-N 3.26Å; E278-A281 PolarHBondContact O-N 3.06Å; A281-A284 PolarHBondContact O-N 3.19Å; A281-C285 VanDerWaalsContact O-CB 3.31Å; A281-C285 WeakPolarHBondContact O-CB 3.07Å; A281-C285 PolarHBondContact O-N 2.91Å; A281-L383 HydrophobicContact CB-CD1 4.23Å; A281-L383 HydrophobicContact CB-CD2 3.84Å |
| 282 | L | 96.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -56.3 | 175.8 | 174.7 | 55.3 | 0 | 0 | 0 | 111.3 | E278 A284 C285 E286 C386 | E278-L282 VanDerWaalsContact O-CB 3.3Å; E278-L282 WeakPolarHBondContact O-CB 3.32Å; E278-L282 PolarHBondContact O-N 2.97Å; L282-A284 PolarHBondContact O-N 3.32Å; L282-C285 WeakPolarHBondContact O-CA 3.39Å; L282-C285 VanDerWaalsContact O-CB 3.32Å; L282-C285 WeakPolarHBondContact O-CB 3.15Å; L282-C285 PolarHBondContact O-N 2.96Å; L282-E286 PolarHBondContact O-N 2.94Å; L282-E286 VanDerWaalsContact O-N 3.15Å; L282-C386 HydrophobicContact CD1-CB 3.67Å |
| 283 | E | 97.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 40 Ų | 40 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -25.3 | -178.4 | -65.2 | -89.5 | -165.7 | 0 | 0 | 112.5 | K241 C244 R245 N279 | K241-E283 HydrophobicContact CD-CG 4.4Å; K241-E283 HydrophobicContact CG-CB 4.27Å; K241-E283 HydrophobicContact CG-CG 3.67Å; C244-E283 HydrophobicContact CB-CB 4.08Å; R245-E283 WeakPolarHBondContact CB-OE2 3.45Å; R245-E283 WeakPolarHBondContact CG-OE2 3.43Å; N279-E283 VanDerWaalsContact O-CG 3.22Å; N279-E283 WeakPolarHBondContact O-CG 3.36Å; N279-E283 PolarHBondContact O-N 3.47Å |
| 284 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.3 | -31.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | C244 M269 R272 V280 A281 L282 F287 | C244-A284 HydrophobicContact CB-CB 4.43Å; M269-A284 HydrophobicContact CE-CB 4.4Å; R272-A284 HydrophobicContact CB-CB 3.48Å; R272-A284 VanDerWaalsContact CB-CB 3.48Å; V280-A284 VanDerWaalsContact O-CB 3.27Å; V280-A284 WeakPolarHBondContact O-CB 3.43Å; V280-A284 PolarHBondContact O-N 3.37Å; A281-A284 PolarHBondContact O-N 3.19Å; L282-A284 PolarHBondContact O-N 3.32Å; A284-F287 VanDerWaalsContact O-CB 3.27Å; A284-F287 WeakPolarHBondContact O-CB 3.46Å; A284-F287 PolarHBondContact O-N 3.06Å |
| 285 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -34.4 | 179.8 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | T273 A281 L282 F287 W288 L383 C386 | T273-C285 HydrophobicContact CG2-CB 4.01Å; A281-C285 VanDerWaalsContact O-CB 3.31Å; A281-C285 WeakPolarHBondContact O-CB 3.07Å; A281-C285 PolarHBondContact O-N 2.91Å; L282-C285 WeakPolarHBondContact O-CA 3.39Å; L282-C285 VanDerWaalsContact O-CB 3.32Å; L282-C285 WeakPolarHBondContact O-CB 3.15Å; L282-C285 PolarHBondContact O-N 2.96Å; C285-F287 PolarHBondContact O-N 3.33Å; C285-W288 WeakPolarHBondContact O-CB 3.49Å; C285-W288 PolarHBondContact O-N 2.77Å; C285-L383 HydrophobicContact CB-CD1 3.69Å; C285-C386 VanDerWaalsContact C-SG 3.52Å; C285-C386 HydrophobicContact CB-CB 4.42Å; C285-C386 VanDerWaalsContact CB-SG 3.6Å; C285-C386 VanDerWaalsContact SG-SG 3.61Å |
| 286 | E | 96.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.6 | -30.2 | 175.4 | -62.2 | -72.8 | -157.7 | 0 | 0 | 112.7 | V248 L282 W288 L289 T290 W381 C386 | V248-E286 HydrophobicContact CG1-CB 4.13Å; V248-E286 HydrophobicContact CG2-CB 4.07Å; L282-E286 PolarHBondContact O-N 2.94Å; L282-E286 VanDerWaalsContact O-N 3.15Å; E286-W288 PolarHBondContact O-N 2.68Å; E286-L289 PolarHBondContact O-N 3.18Å; E286-T290 PolarHBondContact O-N 3.02Å; E286-T290 PolarHBondContact O-OG1 3.02Å; E286-W381 PolarHBondContact OE1-NE1 2.95Å; E286-C386 PolarHBondContact N-SG 3.34Å; E286-C386 VanDerWaalsContact N-SG 3.41Å; E286-C386 PolarHBondContact OE2-SG 2.94Å |
| 287 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -34.1 | 176.2 | -178.2 | -93.3 | 0 | 0 | 0 | 113 | V248 L251 M262 I265 V266 M269 A284 C285 L291 | V248-F287 HydrophobicContact CG2-CB 3.92Å; L251-F287 HydrophobicContact CD1-CE2 3.98Å; L251-F287 HydrophobicContact CD1-CZ 4.33Å; L251-F287 HydrophobicContact CD2-CD2 3.93Å; L251-F287 HydrophobicContact CD2-CE2 3.77Å; L251-F287 HydrophobicContact CD2-CZ 4.25Å; L251-F287 HydrophobicContact CG-CE2 4.39Å; M262-F287 HydrophobicContact SD-CZ 4.13Å; I265-F287 HydrophobicContact CG2-CE2 3.66Å; I265-F287 HydrophobicContact CG2-CZ 3.69Å; V266-F287 HydrophobicContact CG2-CE1 4.17Å; V266-F287 HydrophobicContact CG2-CZ 4.42Å; M269-F287 HydrophobicContact CB-CB 4.43Å; M269-F287 HydrophobicContact CB-CD1 3.91Å; M269-F287 HydrophobicContact CB-CE1 4.37Å; M269-F287 HydrophobicContact CB-CG 4.12Å; M269-F287 HydrophobicContact CE-CB 3.43Å; M269-F287 VanDerWaalsContact CE-CB 3.43Å; M269-F287 HydrophobicContact CE-CD2 3.83Å; M269-F287 HydrophobicContact CE-CG 3.79Å; M269-F287 HydrophobicContact CG-CB 4.24Å; M269-F287 HydrophobicContact CG-CD1 3.92Å; M269-F287 HydrophobicContact CG-CD2 3.9Å; M269-F287 HydrophobicContact CG-CE1 4.24Å; M269-F287 HydrophobicContact CG-CE2 4.22Å; M269-F287 HydrophobicContact CG-CG 3.75Å; M269-F287 HydrophobicContact CG-CZ 4.39Å; A284-F287 VanDerWaalsContact O-CB 3.27Å; A284-F287 WeakPolarHBondContact O-CB 3.46Å; A284-F287 PolarHBondContact O-N 3.06Å; C285-F287 PolarHBondContact O-N 3.33Å; F287-L291 HydrophobicContact CD1-CD2 4.49Å; F287-L291 HydrophobicContact CE1-CB 4.47Å; F287-L291 HydrophobicContact CE1-CD2 3.77Å; F287-L291 HydrophobicContact CZ-CD2 4.31Å; F287-L291 WeakPolarHBondContact O-CB 3.29Å; F287-L291 PolarHBondContact O-N 3.45Å |
| 288 | W | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.1 | -38 | -179.9 | -51.6 | 119.6 | 0 | 0 | 0 | 111.8 | V266 M269 L270 T273 C285 E286 L291 A292 L301 L308 L312 A390 | V266-W288 HydrophobicContact CG1-CH2 3.99Å; V266-W288 HydrophobicContact CG1-CZ3 4.06Å; M269-W288 HydrophobicContact CB-CH2 4.05Å; M269-W288 HydrophobicContact CB-CZ2 3.88Å; L270-W288 HydrophobicContact CB-CH2 4.13Å; L270-W288 HydrophobicContact CB-CZ2 4Å; L270-W288 HydrophobicContact CD1-CZ2 4.35Å; T273-W288 PolarHBondContact OG1-NE1 3.45Å; C285-W288 WeakPolarHBondContact O-CB 3.49Å; C285-W288 PolarHBondContact O-N 2.77Å; E286-W288 PolarHBondContact O-N 2.68Å; W288-L291 HydrophobicContact CE3-CD2 4.4Å; W288-L291 HydrophobicContact CZ3-CD2 4.44Å; W288-A292 VanDerWaalsContact O-CB 3.31Å; W288-A292 WeakPolarHBondContact O-CB 3.33Å; W288-A292 PolarHBondContact O-N 3.47Å; W288-L301 HydrophobicContact CE3-CD2 4.07Å; W288-L301 HydrophobicContact CZ3-CD2 3.71Å; W288-L308 HydrophobicContact CD2-CD1 3.57Å; W288-L308 HydrophobicContact CD2-CD2 3.93Å; W288-L308 HydrophobicContact CD2-CG 4.42Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.09Å; W288-L308 HydrophobicContact CE3-CD2 3.69Å; W288-L308 HydrophobicContact CG-CD1 3.92Å; W288-L308 HydrophobicContact CG-CD2 4.41Å; W288-L308 HydrophobicContact CH2-CD1 4.38Å; W288-L308 HydrophobicContact CZ2-CD1 3.89Å; W288-L308 HydrophobicContact CZ3-CD1 4.47Å; W288-L308 HydrophobicContact CZ3-CD2 4.15Å; W288-L312 HydrophobicContact CG-CD2 4.37Å; W288-A390 HydrophobicContact CB-CB 3.89Å |
| 289 | L | 93.5 | Very high | 95.2 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -56.5 | 176 | -168.5 | 151.6 | 0 | 0 | 0 | 109.5 | E286 L291 A292 E293 W381 A389 A390 | E286-L289 PolarHBondContact O-N 3.18Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.42Å; L289-A292 WeakPolarHBondContact O-CB 3.36Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.08Å; L289-E293 PolarHBondContact O-N 2.76Å; L289-W381 HydrophobicContact CD1-CH2 4.41Å; L289-W381 HydrophobicContact CD1-CZ2 4.38Å; L289-A389 HydrophobicContact CD1-CB 3.69Å; L289-A390 HydrophobicContact CB-CB 4.33Å |
| 290 | T | 94.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 177.5 | -51.5 | 0 | 0 | 0 | 0 | 113.1 | V248 L251 E252 E286 A292 Q294 | V248-T290 WeakPolarHBondContact CG1-OG1 3.16Å; L251-T290 HydrophobicContact CB-CG2 4.19Å; L251-T290 HydrophobicContact CD2-CG2 3.93Å; L251-T290 HydrophobicContact CG-CG2 4.34Å; E252-T290 HydrophobicContact CG-CG2 3.29Å; E286-T290 PolarHBondContact O-N 3.02Å; E286-T290 PolarHBondContact O-OG1 3.02Å; T290-A292 VanDerWaalsContact C-N 3.33Å; T290-Q294 WeakPolarHBondContact O-CG 3.3Å |
| 291 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -33.6 | 177.7 | -178.1 | 60.6 | 0 | 0 | 0 | 111.9 | L251 M255 F287 W288 L289 E293 Q294 C297 V300 L301 | L251-L291 HydrophobicContact CD1-CD1 4.34Å; L251-L291 HydrophobicContact CD2-CB 3.73Å; L251-L291 HydrophobicContact CD2-CD1 4.18Å; M255-L291 HydrophobicContact CE-CD1 4.35Å; F287-L291 HydrophobicContact CD1-CD2 4.49Å; F287-L291 HydrophobicContact CE1-CB 4.47Å; F287-L291 HydrophobicContact CE1-CD2 3.77Å; F287-L291 HydrophobicContact CZ-CD2 4.31Å; F287-L291 WeakPolarHBondContact O-CB 3.29Å; F287-L291 PolarHBondContact O-N 3.45Å; W288-L291 HydrophobicContact CE3-CD2 4.4Å; W288-L291 HydrophobicContact CZ3-CD2 4.44Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.42Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 3.28Å; L291-Q294 WeakPolarHBondContact O-CB 3.41Å; L291-Q294 PolarHBondContact O-N 2.76Å; L291-Q294 VanDerWaalsContact O-N 3.09Å; L291-C297 WeakPolarHBondContact O-CB 3.5Å; L291-V300 HydrophobicContact CD1-CG1 4.45Å; L291-V300 HydrophobicContact CD2-CG1 4.01Å; L291-L301 HydrophobicContact CD2-CD1 4.13Å; L291-L301 HydrophobicContact CD2-CD2 3.77Å; L291-L301 HydrophobicContact CD2-CG 3.81Å |
| 292 | A | 94.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -32.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | W288 L289 T290 Q294 V393 L394 V397 | W288-A292 VanDerWaalsContact O-CB 3.31Å; W288-A292 WeakPolarHBondContact O-CB 3.33Å; W288-A292 PolarHBondContact O-N 3.47Å; L289-A292 WeakPolarHBondContact O-CB 3.36Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.08Å; T290-A292 VanDerWaalsContact C-N 3.33Å; A292-Q294 PolarHBondContact O-N 2.93Å; A292-V393 HydrophobicContact CB-CB 3.95Å; A292-V393 HydrophobicContact CB-CG1 3.47Å; A292-V393 VanDerWaalsContact CB-CG1 3.47Å; A292-L394 HydrophobicContact CB-CD2 4.11Å; A292-L394 HydrophobicContact CB-CG 4.28Å; A292-V397 HydrophobicContact CB-CG2 4.42Å; A292-V397 VanDerWaalsContact O-CG2 3.29Å; A292-V397 WeakPolarHBondContact O-CG2 3.49Å |
| 293 | E | 90.1 | Very high | 94.3 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.5 | 172.8 | -64.3 | 171.9 | -171.6 | 0 | 0 | 113.4 | L289 L291 | L289-E293 PolarHBondContact O-N 2.76Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-E293 PolarHBondContact O-N 3.28Å |
| 294 | Q | 92.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 20% | 0.201 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -81.5 | 136 | -178 | -57.2 | -64.2 | -43.5 | 0 | 0 | 110.7 | M255 T290 L291 A292 I296 C297 | M255-Q294 HydrophobicContact CE-CB 3.98Å; M255-Q294 HydrophobicContact CE-CG 3.55Å; T290-Q294 WeakPolarHBondContact O-CG 3.3Å; L291-Q294 WeakPolarHBondContact O-CB 3.41Å; L291-Q294 PolarHBondContact O-N 2.76Å; L291-Q294 VanDerWaalsContact O-N 3.09Å; A292-Q294 PolarHBondContact O-N 2.93Å; Q294-I296 HydrophobicContact CB-CG2 4.36Å; Q294-I296 PolarHBondContact O-N 3.17Å; Q294-C297 WeakPolarHBondContact O-CB 3.35Å; Q294-C297 PolarHBondContact O-N 3.32Å |
| 295 | P | 91.1 | Very high | 93.9 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 86% | 0.864 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.8 | -177.4 | 25.4 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 296 | I | 93.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 50 Ų | 50 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1 | 178.8 | -157.5 | 168.6 | 0 | 0 | 0 | 113.6 | M255 L259 Q294 K298 D299 V300 | M255-I296 HydrophobicContact CE-CG2 4.35Å; M255-I296 HydrophobicContact SD-CG2 4.5Å; L259-I296 HydrophobicContact CD2-CD1 3.66Å; Q294-I296 HydrophobicContact CB-CG2 4.36Å; Q294-I296 PolarHBondContact O-N 3.17Å; I296-K298 VanDerWaalsContact C-N 3.32Å; I296-K298 PolarHBondContact O-N 3.02Å; I296-D299 HydrophobicContact CG1-CB 4.02Å; I296-D299 PolarHBondContact O-N 3.39Å; I296-D299 VanDerWaalsContact O-N 3.11Å; I296-V300 HydrophobicContact CG1-CG2 4.15Å; I296-V300 HydrophobicContact CG2-CG2 4.05Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.14Å |
| 297 | C | 94.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -46.8 | -51.4 | -175.8 | 175.5 | 0 | 0 | 0 | 0 | 112.9 | L291 Q294 D299 V300 L301 V397 | L291-C297 WeakPolarHBondContact O-CB 3.5Å; Q294-C297 WeakPolarHBondContact O-CB 3.35Å; Q294-C297 PolarHBondContact O-N 3.32Å; C297-D299 PolarHBondContact O-N 3.12Å; C297-V300 PolarHBondContact O-N 2.91Å; C297-L301 WeakPolarHBondContact O-CB 3.45Å; C297-L301 PolarHBondContact O-N 2.9Å; C297-V397 HydrophobicContact CB-CG1 4.34Å |
| 298 | K | 94.1 | Very high | 93.7 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | -178.9 | -71.8 | -164.7 | 174.3 | -171.1 | 0 | 112.8 | I296 V300 V302 V397 Y398 E401 | I296-K298 VanDerWaalsContact C-N 3.32Å; I296-K298 PolarHBondContact O-N 3.02Å; K298-V300 VanDerWaalsContact C-N 3.34Å; K298-V300 PolarHBondContact O-N 3.26Å; K298-V302 WeakPolarHBondContact O-CB 3.28Å; K298-V302 PolarHBondContact O-N 2.97Å; K298-V302 VanDerWaalsContact O-N 3.16Å; K298-V397 WeakPolarHBondContact CE-O 3.5Å; K298-V397 HydrophobicContact CG-CG1 3.88Å; K298-V397 PolarHBondContact NZ-O 3.42Å; K298-V397 VanDerWaalsContact NZ-O 3.13Å; K298-Y398 WeakPolarHBondContact CA-OH 3.39Å; K298-Y398 HydrophobicContact CB-CE1 4.48Å; K298-Y398 HydrophobicContact CD-CE1 4.46Å; K298-Y398 HydrophobicContact CG-CD1 4.38Å; K298-Y398 HydrophobicContact CG-CE1 3.94Å; K298-Y398 HydrophobicContact CG-CE2 4.47Å; K298-E401 IonicContact NZ-OE1 2.84Å; K298-E401 PolarHBondContact NZ-OE1 3.03Å |
| 299 | D | 93.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67 | -37.1 | -177.7 | -68 | -35.1 | 0 | 0 | 0 | 112 | I296 C297 V302 | I296-D299 HydrophobicContact CG1-CB 4.02Å; I296-D299 PolarHBondContact O-N 3.39Å; I296-D299 VanDerWaalsContact O-N 3.11Å; C297-D299 PolarHBondContact O-N 3.12Å; D299-V302 WeakPolarHBondContact O-CG1 3.35Å |
| 300 | V | 94.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.4 | -44.1 | -179.2 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | M262 V266 L291 I296 C297 K298 | M262-V300 HydrophobicContact CG-CB 4.26Å; M262-V300 HydrophobicContact CG-CG1 3.39Å; M262-V300 HydrophobicContact CG-CG2 3.8Å; M262-V300 HydrophobicContact SD-CG1 4.13Å; V266-V300 HydrophobicContact CG2-CG1 3.58Å; L291-V300 HydrophobicContact CD1-CG1 4.45Å; L291-V300 HydrophobicContact CD2-CG1 4.01Å; I296-V300 HydrophobicContact CG1-CG2 4.15Å; I296-V300 HydrophobicContact CG2-CG2 4.05Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.14Å; C297-V300 PolarHBondContact O-N 2.91Å; K298-V300 VanDerWaalsContact C-N 3.34Å; K298-V300 PolarHBondContact O-N 3.26Å |
| 301 | L | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -87 | -13 | -171.4 | -73.1 | -177.3 | 0 | 0 | 0 | 114.4 | V266 W288 L291 C297 R303 H304 L305 L308 L394 Y398 | V266-L301 HydrophobicContact CG1-CD2 4.25Å; W288-L301 HydrophobicContact CE3-CD2 4.07Å; W288-L301 HydrophobicContact CZ3-CD2 3.71Å; L291-L301 HydrophobicContact CD2-CD1 4.13Å; L291-L301 HydrophobicContact CD2-CD2 3.77Å; L291-L301 HydrophobicContact CD2-CG 3.81Å; C297-L301 WeakPolarHBondContact O-CB 3.45Å; C297-L301 PolarHBondContact O-N 2.9Å; L301-R303 PolarHBondContact O-N 3.37Å; L301-H304 PolarHBondContact O-N 3.25Å; L301-L305 PolarHBondContact O-N 2.83Å; L301-L308 HydrophobicContact CD1-CD2 4.11Å; L301-L308 HydrophobicContact CD2-CD2 4.08Å; L301-L394 HydrophobicContact CD1-CD2 3.74Å; L301-Y398 VanDerWaalsContact CB-OH 3.27Å; L301-Y398 WeakPolarHBondContact CB-OH 3.46Å |
| 302 | V | 86.6 | Confident | 94.2 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -34.2 | -174.6 | 68.9 | 0 | 0 | 0 | 0 | 115.2 | K298 D299 | K298-V302 WeakPolarHBondContact O-CB 3.28Å; K298-V302 PolarHBondContact O-N 2.97Å; K298-V302 VanDerWaalsContact O-N 3.16Å; D299-V302 WeakPolarHBondContact O-CG1 3.35Å |
| 303 | R | 89.4 | Confident | 94.4 | Very high | 202 Ų | 202 | 55.6 Ų | 55.6 | 76% | 0.762 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -16.8 | 179.7 | -63.1 | -171.1 | -177.3 | 172.2 | 2.6 | 114.8 | L301 | L301-R303 PolarHBondContact O-N 3.37Š|
| 304 | H | 94.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -17.8 | -172.4 | -52.4 | 87.6 | 0 | 0 | 0 | 112.3 | H263 V266 E267 L301 P306 K307 L308 | H263-H304 AromaticContact CE1-CE1 3.66Å; H263-H304 AromaticContact CE1-NE2 3.33Å; H263-H304 PolarHBondContact CE1-NE2 2.69Å; H263-H304 VanDerWaalsContact CE1-NE2 3.33Å; H263-H304 AromaticContact ND1-CE1 3.2Å; H263-H304 PolarHBondContact ND1-CE1 2.92Å; H263-H304 AromaticContact ND1-NE2 3.25Å; H263-H304 PolarHBondContact ND1-NE2 2.78Å; V266-H304 HydrophobicContact CG1-CB 3.83Å; V266-H304 VanDerWaalsContact CG1-CG 3.48Å; E267-H304 IonicContact OE2-CD2 3.12Å; E267-H304 IonicContact OE2-NE2 3.36Å; L301-H304 PolarHBondContact O-N 3.25Å; H304-P306 VanDerWaalsContact C-CD 3.43Å; H304-P306 VanDerWaalsContact C-N 3.34Å; H304-K307 WeakPolarHBondContact O-CA 3.3Å; H304-K307 PolarHBondContact O-N 3.45Å; H304-L308 PolarHBondContact O-N 3.49Å |
| 305 | L | 93.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -48.4 | -45.9 | 179.3 | -168.2 | 71.2 | 0 | 0 | 0 | 113.2 | L301 K307 L308 I309 Y398 L402 | L301-L305 PolarHBondContact O-N 2.83Å; L305-K307 PolarHBondContact O-N 2.77Å; L305-K307 VanDerWaalsContact O-N 3.09Å; L305-L308 PolarHBondContact O-N 2.87Å; L305-I309 HydrophobicContact CD1-CD1 3.87Å; L305-I309 HydrophobicContact CD1-CG1 3.96Å; L305-I309 HydrophobicContact CG-CG1 4.13Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 3.49Å; L305-I309 VanDerWaalsContact O-N 3.09Å; L305-Y398 HydrophobicContact CD1-CE2 4.03Å; L305-Y398 HydrophobicContact CD2-CD1 3.93Å; L305-Y398 HydrophobicContact CD2-CE1 3.6Å; L305-Y398 HydrophobicContact CD2-CE2 4.39Å; L305-Y398 HydrophobicContact CD2-CG 4.42Å; L305-L402 HydrophobicContact CD1-CD1 4.5Å |
| 306 | P | 95 | Very high | 95.2 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -21.5 | 179.7 | -21.6 | 34.1 | 0 | 0 | 0 | 114.6 | H304 P310 | H304-P306 VanDerWaalsContact C-CD 3.43Å; H304-P306 VanDerWaalsContact C-N 3.34Å; P306-P310 VanDerWaalsContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CD 3.45Å |
| 307 | K | 96.1 | Very high | 95.3 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 52% | 0.522 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -94.1 | -36 | 175.1 | -65.3 | -178.6 | -178.8 | 176.1 | 0 | 112.1 | L270 H304 L305 P310 V311 | L270-K307 HydrophobicContact CD2-CB 3.97Å; L270-K307 HydrophobicContact CD2-CD 4.25Å; H304-K307 WeakPolarHBondContact O-CA 3.3Å; H304-K307 PolarHBondContact O-N 3.45Å; L305-K307 PolarHBondContact O-N 2.77Å; L305-K307 VanDerWaalsContact O-N 3.09Å; K307-P310 WeakPolarHBondContact O-CD 3.27Å; K307-V311 WeakPolarHBondContact O-CG2 3.19Å |
| 308 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | -179.1 | 176.4 | 59.7 | 0 | 0 | 0 | 111.4 | L270 W288 L301 H304 L305 V311 L312 L394 | L270-L308 HydrophobicContact CD1-CB 4.27Å; L270-L308 HydrophobicContact CD1-CD1 3.95Å; W288-L308 HydrophobicContact CD2-CD1 3.57Å; W288-L308 HydrophobicContact CD2-CD2 3.93Å; W288-L308 HydrophobicContact CD2-CG 4.42Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.09Å; W288-L308 HydrophobicContact CE3-CD2 3.69Å; W288-L308 HydrophobicContact CG-CD1 3.92Å; W288-L308 HydrophobicContact CG-CD2 4.41Å; W288-L308 HydrophobicContact CH2-CD1 4.38Å; W288-L308 HydrophobicContact CZ2-CD1 3.89Å; W288-L308 HydrophobicContact CZ3-CD1 4.47Å; W288-L308 HydrophobicContact CZ3-CD2 4.15Å; L301-L308 HydrophobicContact CD1-CD2 4.11Å; L301-L308 HydrophobicContact CD2-CD2 4.08Å; H304-L308 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 2.87Å; L308-V311 WeakPolarHBondContact O-CA 3.27Å; L308-V311 WeakPolarHBondContact O-CB 3.3Å; L308-V311 PolarHBondContact O-N 3.13Å; L308-L312 HydrophobicContact CD1-CD1 4.1Å; L308-L312 HydrophobicContact CD1-CD2 4.12Å; L308-L312 HydrophobicContact CD1-CG 3.85Å; L308-L312 HydrophobicContact CD2-CD1 4.49Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 HydrophobicContact CG-CG 4.17Å; L308-L312 PolarHBondContact O-N 3.13Å; L308-L394 HydrophobicContact CD2-CD1 4.12Å |
| 309 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | -175.1 | -63.5 | -49.6 | 0 | 0 | 0 | 112.8 | L305 V311 L312 V313 L391 L394 L402 H405 I406 L409 | L305-I309 HydrophobicContact CD1-CD1 3.87Å; L305-I309 HydrophobicContact CD1-CG1 3.96Å; L305-I309 HydrophobicContact CG-CG1 4.13Å; L305-I309 WeakPolarHBondContact O-CG1 3.43Å; L305-I309 PolarHBondContact O-N 3.49Å; L305-I309 VanDerWaalsContact O-N 3.09Å; I309-V311 PolarHBondContact O-N 3.08Å; I309-L312 PolarHBondContact O-N 2.92Å; I309-V313 HydrophobicContact CG2-CG2 4.37Å; I309-V313 WeakPolarHBondContact O-CB 3.33Å; I309-V313 VanDerWaalsContact O-CG2 3.29Å; I309-V313 WeakPolarHBondContact O-CG2 3.47Å; I309-V313 PolarHBondContact O-N 3.26Å; I309-L391 HydrophobicContact CD1-CD1 3.97Å; I309-L394 HydrophobicContact CD1-CD1 4.36Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CG1-CD1 3.83Å; I309-H405 HydrophobicContact CB-CB 4.45Å; I309-H405 HydrophobicContact CG1-CB 4.39Å; I309-H405 HydrophobicContact CG2-CB 4.28Å; I309-I406 HydrophobicContact CG2-CD1 3.26Å; I309-I406 HydrophobicContact CG2-CG1 3.99Å; I309-L409 HydrophobicContact CG2-CD1 4.12Å |
| 310 | P | 98.1 | Very high | 94.6 | Very high | 57 Ų | 57 | 47 Ų | 47 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -31.4 | 173.1 | -25.6 | 33.9 | 0 | 0 | 0 | 114.6 | P306 K307 N314 L409 | P306-P310 VanDerWaalsContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CD 3.45Å; K307-P310 WeakPolarHBondContact O-CD 3.27Å; P310-N314 VanDerWaalsContact O-CB 3.32Å; P310-N314 WeakPolarHBondContact O-CB 3.28Å; P310-N314 PolarHBondContact O-N 3.06Å; P310-L409 HydrophobicContact CG-CD1 4.31Å |
| 311 | V | 98.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69 | -48.2 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L270 T273 Q274 K307 L308 I309 N314 G315 | L270-V311 HydrophobicContact CD1-CB 4.36Å; L270-V311 HydrophobicContact CD1-CG1 4.49Å; L270-V311 HydrophobicContact CD1-CG2 4.13Å; T273-V311 HydrophobicContact CG2-CG1 3.83Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.4Å; Q274-V311 HydrophobicContact CG-CG1 3.6Å; Q274-V311 HydrophobicContact CG-CG2 3.86Å; K307-V311 WeakPolarHBondContact O-CG2 3.19Å; L308-V311 WeakPolarHBondContact O-CA 3.27Å; L308-V311 WeakPolarHBondContact O-CB 3.3Å; L308-V311 PolarHBondContact O-N 3.13Å; I309-V311 PolarHBondContact O-N 3.08Å; V311-N314 PolarHBondContact O-N 2.91Å; V311-G315 PolarHBondContact O-N 3.22Å |
| 312 | L | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -49 | 175.9 | -63.6 | -179.8 | 0 | 0 | 0 | 110.7 | W288 L308 I309 N314 G315 M316 S387 A390 L394 | W288-L312 HydrophobicContact CG-CD2 4.37Å; L308-L312 HydrophobicContact CD1-CD1 4.1Å; L308-L312 HydrophobicContact CD1-CD2 4.12Å; L308-L312 HydrophobicContact CD1-CG 3.85Å; L308-L312 HydrophobicContact CD2-CD1 4.49Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 HydrophobicContact CG-CG 4.17Å; L308-L312 PolarHBondContact O-N 3.13Å; I309-L312 PolarHBondContact O-N 2.92Å; L312-N314 PolarHBondContact O-N 2.63Å; L312-G315 CarbonylContact O-C 3.53Å; L312-G315 WeakPolarHBondContact O-CA 3.22Å; L312-G315 PolarHBondContact O-N 3.46Å; L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.42Å; L312-M316 PolarHBondContact O-N 3.19Å; L312-S387 WeakPolarHBondContact O-CB 3.35Å; L312-A390 HydrophobicContact CD1-CB 4.34Å; L312-A390 HydrophobicContact CD2-CB 4.4Å; L312-L394 HydrophobicContact CD1-CD1 3.68Å |
| 313 | V | 98.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -36.5 | 177.8 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | I309 L391 I406 L409 L413 V428 | I309-V313 HydrophobicContact CG2-CG2 4.37Å; I309-V313 WeakPolarHBondContact O-CB 3.33Å; I309-V313 VanDerWaalsContact O-CG2 3.29Å; I309-V313 WeakPolarHBondContact O-CG2 3.47Å; I309-V313 PolarHBondContact O-N 3.26Å; V313-L391 HydrophobicContact CG2-CD2 4.19Å; V313-I406 HydrophobicContact CG2-CD1 4.12Å; V313-L409 HydrophobicContact CB-CD1 4.28Å; V313-L409 HydrophobicContact CG1-CD1 4.33Å; V313-L409 HydrophobicContact CG2-CD1 4.01Å; V313-L413 HydrophobicContact CG1-CD1 3.59Å; V313-V428 HydrophobicContact CB-CG2 4.42Å; V313-V428 HydrophobicContact CG1-CG2 4.06Å; V313-V428 HydrophobicContact CG2-CG1 4.41Å; V313-V428 HydrophobicContact CG2-CG2 3.97Å |
| 314 | N | 97.5 | Very high | 93 | Very high | 95 Ų | 95 | 45.1 Ų | 45.1 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.2 | -37.6 | 174.2 | 177.9 | 79.9 | 0 | 0 | 0 | 112.6 | P310 V311 L312 M316 K317 | P310-N314 VanDerWaalsContact O-CB 3.32Å; P310-N314 WeakPolarHBondContact O-CB 3.28Å; P310-N314 PolarHBondContact O-N 3.06Å; V311-N314 PolarHBondContact O-N 2.91Å; L312-N314 PolarHBondContact O-N 2.63Å; N314-M316 PolarHBondContact O-N 3.29Å; N314-K317 VanDerWaalsContact O-CE 3.24Å; N314-K317 WeakPolarHBondContact O-CE 3.41Å; N314-K317 PolarHBondContact O-N 3.32Å; N314-K317 VanDerWaalsContact OD1-CE 3.22Å; N314-K317 WeakPolarHBondContact OD1-CE 3.49Å; N314-K317 PolarHBondContact OD1-NZ 3.04Å |
| 315 | G | 96.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -22.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V311 L312 K317 R384 | V311-G315 PolarHBondContact O-N 3.22Å; L312-G315 CarbonylContact O-C 3.53Å; L312-G315 WeakPolarHBondContact O-CA 3.22Å; L312-G315 PolarHBondContact O-N 3.46Å; G315-K317 VanDerWaalsContact C-N 3.26Å; G315-K317 PolarHBondContact O-N 2.9Å; G315-R384 VanDerWaalsContact O-CA 3.23Å; G315-R384 WeakPolarHBondContact O-CA 3.31Å |
| 316 | M | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -4.8 | 178.2 | -68.7 | 167 | 74.6 | 0 | 0 | 114.7 | L312 N314 R384 A388 L391 L427 V428 A431 | L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.42Å; L312-M316 PolarHBondContact O-N 3.19Å; N314-M316 PolarHBondContact O-N 3.29Å; M316-R384 WeakPolarHBondContact O-CD 3.39Å; M316-R384 WeakPolarHBondContact O-CG 3.38Å; M316-R384 PolarHBondContact O-NH1 3.12Å; M316-A388 HydrophobicContact CE-CB 3.79Å; M316-A388 HydrophobicContact CG-CB 4.19Å; M316-A388 HydrophobicContact SD-CB 4.49Å; M316-L391 HydrophobicContact CE-CD2 4.13Å; M316-L391 HydrophobicContact SD-CB 4.4Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.35Å; M316-L427 HydrophobicContact CE-CD2 3.81Å; M316-L427 HydrophobicContact CE-CG 3.56Å; M316-V428 HydrophobicContact CE-CB 4.23Å; M316-V428 HydrophobicContact CE-CG2 3.47Å; M316-V428 VanDerWaalsContact CE-CG2 3.47Å; M316-V428 HydrophobicContact SD-CG2 3.62Å; M316-A431 HydrophobicContact CE-CB 4.26Å |
| 317 | K | 95.7 | Very high | 89.5 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 32% | 0.317 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -74 | 146.6 | 173.6 | -68.5 | 178.9 | -60.3 | -169.8 | 0 | 110.3 | N314 G315 S319 V420 | N314-K317 VanDerWaalsContact O-CE 3.24Å; N314-K317 WeakPolarHBondContact O-CE 3.41Å; N314-K317 PolarHBondContact O-N 3.32Å; N314-K317 VanDerWaalsContact OD1-CE 3.22Å; N314-K317 WeakPolarHBondContact OD1-CE 3.49Å; N314-K317 PolarHBondContact OD1-NZ 3.04Å; G315-K317 VanDerWaalsContact C-N 3.26Å; G315-K317 PolarHBondContact O-N 2.9Å; K317-S319 PolarHBondContact O-N 3.09Å; K317-V420 HydrophobicContact CB-CG1 4.18Å; K317-V420 HydrophobicContact CG-CG1 4.46Å |
| 318 | Y | 91.2 | Very high | 87.4 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 137.8 | 170 | -78.2 | -66 | 0 | 0 | 0 | 110.9 | D322 L326 R384 W419 E423 L461 | Y318-D322 HydrophobicContact CD1-CB 3.91Å; Y318-L326 HydrophobicContact CD1-CD1 3.73Å; Y318-L326 HydrophobicContact CE1-CD1 3.37Å; Y318-R384 VanDerWaalsContact CD2-NH1 3.29Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.28Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.43Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.34Å; Y318-R384 PolarHBondContact OH-NH2 2.96Å; Y318-W419 HydrophobicContact CD2-CH2 4.47Å; Y318-W419 HydrophobicContact CD2-CZ3 4.27Å; Y318-E423 HydrophobicContact CE2-CG 4.28Å; Y318-L461 HydrophobicContact CE2-CD1 4.31Å |
| 319 | S | 89.9 | Confident | 85.1 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -69 | 156.6 | 168.7 | 73.3 | 0 | 0 | 0 | 0 | 110.2 | K317 I321 D322 I323 | K317-S319 PolarHBondContact O-N 3.09Å; S319-I321 PolarHBondContact O-N 3.24Å; S319-D322 PolarHBondContact O-N 3.28Å; S319-D322 WeakPolarHBondContact OG-CB 2.85Å; S319-D322 PolarHBondContact OG-N 3.39Å; S319-D322 PolarHBondContact OG-OD2 3.29Å; S319-I323 WeakPolarHBondContact O-CG1 3.18Å; S319-I323 PolarHBondContact O-N 3.4Å |
| 320 | D | 86.5 | Confident | 83.7 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 71% | 0.711 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.4 | -33.4 | 175.3 | -71.6 | -38 | 0 | 0 | 0 | 111.5 | I323 I324 | D320-I323 PolarHBondContact O-N 3.25Å; D320-I324 WeakPolarHBondContact O-CD1 3.48Å; D320-I324 VanDerWaalsContact O-CG1 3.23Å; D320-I324 WeakPolarHBondContact O-CG1 3.48Å; D320-I324 PolarHBondContact O-N 2.59Å; D320-I324 VanDerWaalsContact O-N 3.16Å |
| 321 | I | 83.5 | Confident | 82.6 | Confident | 100 Ų | 100 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -46.4 | 177.4 | -63.8 | 166.1 | 0 | 0 | 0 | 110.1 | S319 I323 I324 L325 | S319-I321 PolarHBondContact O-N 3.24Å; I321-I323 VanDerWaalsContact C-N 3.34Å; I321-I323 PolarHBondContact O-N 3.47Å; I321-I324 WeakPolarHBondContact O-CB 3.45Å; I321-I324 PolarHBondContact O-N 3Å; I321-I324 VanDerWaalsContact O-N 3.15Å; I321-L325 HydrophobicContact CG2-CD1 3.7Å; I321-L325 HydrophobicContact CG2-CG 4.11Å; I321-L325 WeakPolarHBondContact O-CB 3.15Å; I321-L325 WeakPolarHBondContact O-CG 3.21Å; I321-L325 PolarHBondContact O-N 2.94Å |
| 322 | D | 82.8 | Confident | 81.8 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.3 | -70.4 | -49.2 | 0 | 0 | 0 | 111.3 | Y318 S319 I324 L325 L326 S379 | Y318-D322 HydrophobicContact CD1-CB 3.91Å; S319-D322 PolarHBondContact O-N 3.28Å; S319-D322 WeakPolarHBondContact OG-CB 2.85Å; S319-D322 PolarHBondContact OG-N 3.39Å; S319-D322 PolarHBondContact OG-OD2 3.29Å; D322-I324 PolarHBondContact O-N 3.44Å; D322-L325 PolarHBondContact O-N 3.11Å; D322-L326 HydrophobicContact CB-CD1 4.09Å; D322-L326 WeakPolarHBondContact O-CB 3.42Å; D322-L326 WeakPolarHBondContact O-CD1 3.47Å; D322-L326 WeakPolarHBondContact O-CG 3.23Å; D322-L326 PolarHBondContact O-N 3.03Å; D322-S379 PolarHBondContact OD1-OG 3.39Å |
| 323 | I | 83.7 | Confident | 81.4 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.6 | -39.3 | 176.8 | -66 | 169.8 | 0 | 0 | 0 | 110.8 | S319 D320 I321 G328 W419 V420 | S319-I323 WeakPolarHBondContact O-CG1 3.18Å; S319-I323 PolarHBondContact O-N 3.4Å; D320-I323 PolarHBondContact O-N 3.25Å; I321-I323 VanDerWaalsContact C-N 3.34Å; I321-I323 PolarHBondContact O-N 3.47Å; I323-G328 PolarHBondContact O-N 2.86Å; I323-W419 HydrophobicContact CD1-CH2 4.3Å; I323-W419 HydrophobicContact CD1-CZ2 4.16Å; I323-W419 HydrophobicContact CG1-CH2 4.04Å; I323-W419 HydrophobicContact CG1-CZ2 4.21Å; I323-W419 HydrophobicContact CG2-CH2 4.49Å; I323-W419 HydrophobicContact CG2-CZ2 4.08Å; I323-V420 HydrophobicContact CD1-CG2 3.81Å |
| 324 | I | 80.6 | Confident | 80.8 | Confident | 129 Ų | 129 | 68 Ų | 68 | 66% | 0.662 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.2 | -47.9 | 176.9 | -65.6 | 162.7 | 0 | 0 | 0 | 111.2 | D320 I321 D322 K327 | D320-I324 WeakPolarHBondContact O-CD1 3.48Å; D320-I324 VanDerWaalsContact O-CG1 3.23Å; D320-I324 WeakPolarHBondContact O-CG1 3.48Å; D320-I324 PolarHBondContact O-N 2.59Å; D320-I324 VanDerWaalsContact O-N 3.16Å; I321-I324 WeakPolarHBondContact O-CB 3.45Å; I321-I324 PolarHBondContact O-N 3Å; I321-I324 VanDerWaalsContact O-N 3.15Å; D322-I324 PolarHBondContact O-N 3.44Å; I324-K327 WeakPolarHBondContact O-CA 3.24Å; I324-K327 PolarHBondContact O-N 3.33Å |
| 325 | L | 75.8 | Confident | 80.4 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 66% | 0.66 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | -176.3 | -73 | 177.4 | 0 | 0 | 0 | 112.5 | I321 D322 K327 | I321-L325 HydrophobicContact CG2-CD1 3.7Å; I321-L325 HydrophobicContact CG2-CG 4.11Å; I321-L325 WeakPolarHBondContact O-CB 3.15Å; I321-L325 WeakPolarHBondContact O-CG 3.21Å; I321-L325 PolarHBondContact O-N 2.94Å; D322-L325 PolarHBondContact O-N 3.11Å; L325-K327 PolarHBondContact O-N 2.79Å |
| 326 | L | 70.9 | Confident | 80 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.1 | 174 | -61.7 | 168.3 | 0 | 0 | 0 | 112 | Y318 D322 G328 L461 R503 | Y318-L326 HydrophobicContact CD1-CD1 3.73Å; Y318-L326 HydrophobicContact CE1-CD1 3.37Å; D322-L326 HydrophobicContact CB-CD1 4.09Å; D322-L326 WeakPolarHBondContact O-CB 3.42Å; D322-L326 WeakPolarHBondContact O-CD1 3.47Å; D322-L326 WeakPolarHBondContact O-CG 3.23Å; D322-L326 PolarHBondContact O-N 3.03Å; L326-G328 VanDerWaalsContact C-N 3.29Å; L326-G328 PolarHBondContact O-N 2.77Å; L326-L461 HydrophobicContact CD1-CD2 4.47Å; L326-R503 VanDerWaalsContact CD2-CZ 3.43Å |
| 327 | K | 63.6 | Low | 79.6 | Confident | 142 Ų | 142 | 76.8 Ų | 76.8 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 53.7 | -173.7 | -58.6 | 178.1 | -175.4 | 165.3 | 0 | 109.7 | I324 L325 D329 V330 | I324-K327 WeakPolarHBondContact O-CA 3.24Å; I324-K327 PolarHBondContact O-N 3.33Å; L325-K327 PolarHBondContact O-N 2.79Å; K327-D329 PolarHBondContact O-N 2.88Å; K327-V330 HydrophobicContact CB-CB 4.17Å; K327-V330 HydrophobicContact CB-CG2 3.66Å; K327-V330 HydrophobicContact CD-CG2 4.04Å; K327-V330 HydrophobicContact CG-CG2 4.44Å; K327-V330 PolarHBondContact O-N 3.39Å |
| 328 | G | 52 | Low | 79.1 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 8.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | I323 L326 K459 | I323-G328 PolarHBondContact O-N 2.86Å; L326-G328 VanDerWaalsContact C-N 3.29Å; L326-G328 PolarHBondContact O-N 2.77Å; G328-K459 PolarHBondContact O-NZ 3.07Å |
| 329 | D | 50.2 | Low | 78.6 | Confident | 135 Ų | 135 | 75.2 Ų | 75.2 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -0.3 | 170.9 | -82 | -23.3 | 0 | 0 | 0 | 113.9 | K327 E331 K459 | K327-D329 PolarHBondContact O-N 2.88Å; D329-E331 PolarHBondContact O-N 2.86Å; D329-E331 VanDerWaalsContact O-N 3.13Å; D329-K459 IonicContact OD1-NZ 3.11Å; D329-K459 PolarHBondContact OD1-NZ 3.12Å |
| 330 | V | 67.3 | Low | 77.9 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 30% | 0.297 | 44% | 0.435 | S | S | . | . | trans | -83.9 | 87.3 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | K327 D333 N501 | K327-V330 HydrophobicContact CB-CB 4.17Å; K327-V330 HydrophobicContact CB-CG2 3.66Å; K327-V330 HydrophobicContact CD-CG2 4.04Å; K327-V330 HydrophobicContact CG-CG2 4.44Å; K327-V330 PolarHBondContact O-N 3.39Å; V330-D333 HydrophobicContact CG1-CB 3.72Å; V330-N501 PolarHBondContact O-ND2 3.31Å | ||
| 331 | E | 75.3 | Confident | 77.1 | Confident | 46 Ų | 46 | 84.9 Ų | 84.9 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | trans | -74.7 | -15.5 | 173.3 | -70.9 | -65.5 | 144.6 | 0 | 0 | 112.8 | D329 K458 K459 A460 R463 S500 | D329-E331 PolarHBondContact O-N 2.86Å; D329-E331 VanDerWaalsContact O-N 3.13Å; E331-K458 VanDerWaalsContact OE1-O 3.04Å; E331-K459 WeakPolarHBondContact OE1-CA 3.4Å; E331-A460 PolarHBondContact OE1-N 2.93Å; E331-A460 PolarHBondContact OE2-N 2.87Å; E331-R463 IonicContact OE2-CZ 3.8Å; E331-R463 IonicContact OE2-NH1 3.08Å; E331-R463 PolarHBondContact OE2-NH1 3.23Å; E331-R463 IonicContact OE2-NH2 3.84Å; E331-R463 PolarHBondContact OE2-NH2 2.83Å; E331-S500 CarbonylContact O-C 3.28Å; E331-S500 PolarHBondContact O-OG 2.9Å | ||
| 332 | E | 82.7 | Confident | 76.5 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | trans | -135.4 | 102.6 | -175.8 | -61.1 | -177.7 | -173.4 | 0 | 0 | 110.9 | S500 | E332-S500 WeakPolarHBondContact CA-O 3.49Š| ||
| 333 | D | 88.1 | Confident | 76 | Confident | 31 Ų | 31 | 84.3 Ų | 84.3 | 17% | 0.166 | 44% | 0.439 | C | S | . | . | trans | -135.4 | 8.8 | 173 | 66.9 | -18.8 | 0 | 0 | 0 | 114 | V330 T335 I336 S500 N501 K502 | V330-D333 HydrophobicContact CG1-CB 3.72Å; D333-T335 PolarHBondContact O-N 2.9Å; D333-I336 HydrophobicContact CB-CB 4.47Å; D333-I336 HydrophobicContact CB-CD1 3.84Å; D333-I336 HydrophobicContact CB-CG1 4.24Å; D333-I336 WeakPolarHBondContact O-CB 3.33Å; D333-I336 PolarHBondContact O-N 2.89Å; D333-S500 PolarHBondContact N-O 2.62Å; D333-N501 VanDerWaalsContact OD1-CA 3.26Å; D333-N501 WeakPolarHBondContact OD1-CA 3.27Å; D333-K502 WeakPolarHBondContact O-CE 3.38Å; D333-K502 PolarHBondContact OD1-N 3.09Å; D333-K502 WeakPolarHBondContact OD2-CE 3.46Å | ||
| 334 | E | 87.3 | Confident | 75.1 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.3 | 178.2 | 61.5 | 174.6 | -150.3 | 0 | 0 | 114.8 | S500 K540 Q542 | E334-S500 WeakPolarHBondContact CB-O 3.47Å; E334-S500 PolarHBondContact N-O 2.76Å; E334-S500 VanDerWaalsContact OE2-CA 3.27Å; E334-S500 WeakPolarHBondContact OE2-CA 3.46Å; E334-K540 WeakPolarHBondContact OE2-CE 3.48Å; E334-K540 IonicContact OE2-NZ 3.38Å; E334-K540 PolarHBondContact OE2-NZ 2.93Å; E334-Q542 WeakPolarHBondContact O-CG 3.49Å; E334-Q542 PolarHBondContact O-NE2 3.34Å |
| 335 | T | 88.5 | Confident | 74.3 | Confident | 109 Ų | 109 | 85.5 Ų | 85.5 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.8 | -179.2 | 60 | 0 | 0 | 0 | 0 | 113.5 | D333 P337 | D333-T335 PolarHBondContact O-N 2.9Å; T335-P337 WeakPolarHBondContact O-CD 2.95Å |
| 336 | I | 88.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 44% | 0.436 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -88.3 | 115.6 | -178.8 | -55.7 | -177.6 | 0 | 0 | 0 | 108.1 | D333 K502 | D333-I336 HydrophobicContact CB-CB 4.47Å; D333-I336 HydrophobicContact CB-CD1 3.84Å; D333-I336 HydrophobicContact CB-CG1 4.24Å; D333-I336 WeakPolarHBondContact O-CB 3.33Å; D333-I336 PolarHBondContact O-N 2.89Å; I336-K502 PolarHBondContact O-NZ 3.17Å |
| 337 | P | 87.1 | Confident | 74.1 | Confident | 96 Ų | 96 | 88 Ų | 88 | 62% | 0.623 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 144.5 | 177.5 | -23.3 | 34.2 | 0 | 0 | 0 | 111.6 | T335 | T335-P337 WeakPolarHBondContact O-CD 2.95Š|
| 338 | D | 85.3 | Confident | 74.6 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 145 | 174.4 | -60.2 | -48.4 | 0 | 0 | 0 | 110.8 | K502 Q542 H543 K544 | D338-K502 IonicContact OD1-NZ 2.91Å; D338-K502 PolarHBondContact OD1-NZ 2.95Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.35Å; D338-H543 HydrophobicContact CB-CB 4.34Å; D338-H543 PolarHBondContact OD2-N 2.94Å; D338-K544 WeakPolarHBondContact OD2-CB 3.37Å; D338-K544 PolarHBondContact OD2-N 3.42Å |
| 339 | S | 81.9 | Confident | 75.4 | Confident | 51 Ų | 51 | 86 Ų | 86 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 144.2 | 170.3 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | Q341 D342 | S339-Q341 PolarHBondContact O-N 2.69Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 3.29Å; S339-D342 WeakPolarHBondContact CB-OD2 3.44Å; S339-D342 PolarHBondContact N-OD2 3.04Å; S339-D342 WeakPolarHBondContact O-CB 3.5Å; S339-D342 PolarHBondContact O-N 3.35Å |
| 340 | E | 74.3 | Confident | 76 | Confident | 178 Ų | 178 | 80.3 Ų | 80.3 | 83% | 0.832 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -57.3 | -25.4 | 172.2 | -68.5 | 178.4 | -179 | 0 | 0 | 112.4 | D342 | E340-D342 VanDerWaalsContact C-N 3.31Š|
| 341 | Q | 69.8 | Low | 76.5 | Confident | 179 Ų | 179 | 81.9 Ų | 81.9 | 84% | 0.836 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -75.5 | -19.2 | 176.7 | -61.6 | 177.3 | 0.6 | 0 | 0 | 113.3 | S339 | S339-Q341 PolarHBondContact O-N 2.69Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 3.29Å |
| 342 | D | 70.3 | Confident | 76.6 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 34% | 0.337 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -89.8 | -9.5 | 179.5 | -57.2 | -30.8 | 0 | 0 | 0 | 111.6 | S339 E340 | S339-D342 WeakPolarHBondContact CB-OD2 3.44Å; S339-D342 PolarHBondContact N-OD2 3.04Å; S339-D342 WeakPolarHBondContact O-CB 3.5Å; S339-D342 PolarHBondContact O-N 3.35Å; E340-D342 VanDerWaalsContact C-N 3.31Å |
| 343 | I | 72.2 | Confident | 76.3 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -92 | 112.6 | 178.9 | -57.5 | 166 | 0 | 0 | 0 | 108.3 | H543 | I343-H543 HydrophobicContact CD1-CB 4.12Å; I343-H543 VanDerWaalsContact CD1-CD2 3.43Å; I343-H543 WeakPolarHBondContact CD1-CD2 3.44Å |
| 344 | R | 65.8 | Low | 75.9 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | trans | -75.8 | 146.8 | -178.5 | -69.3 | 177 | 171.9 | -142.1 | 4 | 111.5 | R346 D375 T377 | R344-R346 PolarHBondContact O-N 3.21Å; R344-R346 VanDerWaalsContact O-N 3.1Å; R344-D375 PolarHBondContact NH1-O 2.93Å; R344-D375 IonicContact NH1-OD1 3.68Å; R344-D375 IonicContact NH1-OD2 2.8Å; R344-D375 PolarHBondContact NH2-O 3.47Å; R344-T377 VanDerWaalsContact NH2-C 3.33Å; R344-T377 VanDerWaalsContact NH2-N 3.18Å; R344-T377 PolarHBondContact NH2-O 3.02Å | ||
| 345 | P | 64.5 | Low | 75.6 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 62% | 0.623 | 39% | 0.392 | S | S | * | . | trans | -60.8 | 114.6 | 168 | -18.4 | 31.3 | 0 | 0 | 0 | 109.6 | F347 | P345-F347 HydrophobicContact CB-CE2 4.17Å; P345-F347 HydrophobicContact CB-CZ 4.23Å | ||
| 346 | R | 67.2 | Low | 74.7 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | trans | -92.7 | 146.6 | 167 | -84.6 | -175.3 | 164 | -167.1 | -8.8 | 110 | R344 I548 D551 F592 | R344-R346 PolarHBondContact O-N 3.21Å; R344-R346 VanDerWaalsContact O-N 3.1Å; R346-I548 VanDerWaalsContact NH2-CD1 3.31Å; R346-D551 IonicContact CZ-OD2 3.81Å; R346-D551 VanDerWaalsContact CZ-OD2 3.23Å; R346-D551 IonicContact NH1-OD1 3.05Å; R346-D551 IonicContact NH1-OD2 2.73Å; R346-D551 PolarHBondContact NH1-OD2 3.04Å; R346-D551 IonicContact NH2-OD2 3.24Å; R346-D551 PolarHBondContact NH2-OD2 3.41Å; R346-F592 WeakPolarHBondContact O-CD2 2.99Å; R346-F592 WeakPolarHBondContact O-CE2 3.49Å | ||
| 347 | F | 74.4 | Confident | 73.4 | Confident | 140 Ų | 140 | 75.6 Ų | 75.6 | 61% | 0.614 | 38% | 0.38 | S | S | * | . | trans | -124.1 | 144.9 | 174.7 | -58.2 | -83.8 | 0 | 0 | 0 | 107.9 | P345 D647 | P345-F347 HydrophobicContact CB-CE2 4.17Å; P345-F347 HydrophobicContact CB-CZ 4.23Å; F347-D647 WeakPolarHBondContact CA-OD2 3.37Å; F347-D647 WeakPolarHBondContact CB-OD2 3.28Å; F347-D647 WeakPolarHBondContact CD1-OD2 3.25Å | ||
| 348 | H | 74.1 | Confident | 71.6 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 7% | 0.065 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 135.1 | -178.8 | 170.5 | 63.1 | 0 | 0 | 0 | 110.7 | F592 E596 D647 I650 V651 D654 | H348-F592 HydrophobicContact CB-CB 4.33Å; H348-F592 HydrophobicContact CB-CG 4.29Å; H348-E596 IonicContact CE1-OE1 3.76Å; H348-E596 PolarHBondContact CE1-OE1 3.1Å; H348-E596 IonicContact CG-OE1 3.35Å; H348-E596 VanDerWaalsContact ND1-CD 3.33Å; H348-E596 WeakPolarHBondContact ND1-CG 3.31Å; H348-E596 IonicContact ND1-OE1 2.82Å; H348-E596 PolarHBondContact ND1-OE1 3.41Å; H348-D647 HydrophobicContact CB-CB 4.21Å; H348-D647 PolarHBondContact N-OD2 3.05Å; H348-I650 WeakPolarHBondContact CD2-CG2 3.27Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.43Å; H348-V651 HydrophobicContact CB-CB 4.29Å; H348-V651 VanDerWaalsContact CD2-CA 3.46Å; H348-V651 WeakPolarHBondContact CD2-CA 3.36Å; H348-V651 PolarHBondContact CD2-N 3.29Å; H348-V651 VanDerWaalsContact NE2-CA 3.31Å; H348-V651 WeakPolarHBondContact NE2-CA 3.32Å; H348-V651 PolarHBondContact NE2-N 3.47Å; H348-D654 IonicContact CE1-OD2 3.82Å; H348-D654 IonicContact NE2-OD2 3.53Å; H348-D654 PolarHBondContact NE2-OD2 3.04Å |
| 349 | R | 68.7 | Low | 69.7 | Low | 102 Ų | 102 | 81.2 Ų | 81.2 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 131.3 | 172.9 | -62.9 | -166.9 | -166 | 169.1 | 20.7 | 110.7 | D369 I372 | R349-D369 IonicContact CZ-OD1 2.67Å; R349-D369 PolarHBondContact NH1-O 3.3Å; R349-D369 IonicContact NH1-OD1 2.65Å; R349-D369 PolarHBondContact NH1-OD1 2.82Å; R349-D369 PolarHBondContact NH2-O 3.34Å; R349-I372 VanDerWaalsContact NH2-CG2 3.27Å |
| 350 | S | 62.8 | Low | 67.6 | Low | 14 Ų | 14 | 86.5 Ų | 86.5 | 10% | 0.098 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -68 | 138.5 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | T352 E690 Q693 S694 | S350-T352 PolarHBondContact O-N 3.33Å; S350-E690 PolarHBondContact OG-O 3.15Å; S350-E690 VanDerWaalsContact OG-O 3.1Å; S350-Q693 PolarHBondContact O-NE2 3.21Å; S350-Q693 WeakPolarHBondContact OG-CB 3.46Å; S350-Q693 VanDerWaalsContact OG-CG 3.28Å; S350-Q693 WeakPolarHBondContact OG-CG 3.3Å; S350-S694 PolarHBondContact OG-N 2.67Å; S350-S694 PolarHBondContact OG-OG 3.03Å |
| 351 | R | 78.4 | Confident | 65.5 | Low | 83 Ų | 83 | 80 Ų | 80 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.2 | -179.2 | -173.3 | -178.9 | -177.1 | -166.1 | 3.3 | 113.3 | D654 S657 E661 Q693 N735 | R351-D654 WeakPolarHBondContact CB-OD2 3.41Å; R351-D654 PolarHBondContact N-OD2 3.14Å; R351-S657 PolarHBondContact NH1-OG 2.91Å; R351-E661 IonicContact CZ-OE2 2.89Å; R351-E661 VanDerWaalsContact CZ-OE2 3.24Å; R351-E661 IonicContact NH1-OE2 2.64Å; R351-E661 PolarHBondContact NH1-OE2 3.14Å; R351-E661 IonicContact NH2-OE1 3.8Å; R351-E661 IonicContact NH2-OE2 3.78Å; R351-E661 PolarHBondContact NH2-OE2 2.81Å; R351-Q693 PolarHBondContact O-NE2 3.3Å; R351-N735 PolarHBondContact O-ND2 3.41Å |
| 352 | T | 77.3 | Confident | 63.7 | Low | 63 Ų | 63 | 78.4 Ų | 78.4 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -99 | 128.2 | 169.7 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | S350 A354 Q693 | S350-T352 PolarHBondContact O-N 3.33Å; T352-A354 PolarHBondContact O-N 3.21Å; T352-Q693 PolarHBondContact OG1-NE2 3.47Å; T352-Q693 VanDerWaalsContact OG1-NE2 3.16Å |
| 353 | V | 76 | Confident | 62 | Low | 19 Ų | 19 | 82.3 Ų | 82.3 | 12% | 0.115 | 42% | 0.417 | C | S | . | . | trans | -80.2 | 111.7 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | A697 N734 N735 W738 N778 | V353-A697 HydrophobicContact CG2-CB 4.22Å; V353-N734 PolarHBondContact O-ND2 3.22Å; V353-N735 PolarHBondContact N-OD1 2.92Å; V353-W738 HydrophobicContact CB-CD2 4.39Å; V353-W738 HydrophobicContact CB-CG 4.45Å; V353-W738 HydrophobicContact CG1-CD2 3.82Å; V353-W738 HydrophobicContact CG1-CE3 4.37Å; V353-W738 HydrophobicContact CG1-CG 3.87Å; V353-W738 HydrophobicContact CG1-CZ2 4.47Å; V353-W738 HydrophobicContact CG2-CD2 4.32Å; V353-W738 HydrophobicContact CG2-CE3 4.02Å; V353-W738 HydrophobicContact CG2-CZ3 4.23Å; V353-N778 PolarHBondContact O-ND2 3.49Å | ||
| 354 | A | 79.8 | Confident | 60.1 | Low | 61 Ų | 61 | 88 Ų | 88 | 50% | 0.504 | 44% | 0.443 | S | S | . | . | trans | -116.2 | 162.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T352 T774 | T352-A354 PolarHBondContact O-N 3.21Å; A354-T774 HydrophobicContact CB-CG2 3.71Å | ||
| 355 | Q | 80 | Confident | 58.6 | Low | 18 Ų | 18 | 88.5 Ų | 88.5 | 8% | 0.084 | 45% | 0.449 | C | S | . | . | trans | -96 | 153.1 | 172.3 | -61.5 | -62.5 | -47.8 | 0 | 0 | 110.2 | E777 N778 I781 I812 N815 | Q355-E777 HydrophobicContact CG-CB 4.26Å; Q355-N778 PolarHBondContact NE2-OD1 3.32Å; Q355-I781 HydrophobicContact CG-CD1 3.91Å; Q355-I812 HydrophobicContact CB-CG2 4.06Å; Q355-I812 HydrophobicContact CG-CG2 4.37Å; Q355-N815 PolarHBondContact OE1-ND2 3.45Å | ||
| 356 | Q | 69.8 | Low | 57.3 | Low | 131 Ų | 131 | 88.6 Ų | 88.6 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | trans | -86.3 | 140 | 176.1 | -66 | -179.3 | -6.3 | 0 | 0 | 111.7 | R813 | Q356-R813 WeakPolarHBondContact O-CG 3.4Å; Q356-R813 PolarHBondContact O-N 3.04Å; Q356-R813 VanDerWaalsContact OE1-NH1 3.1Å | ||
| 357 | H | 61.6 | Low | 55.7 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | trans | -110.3 | 151.3 | 174 | -64.6 | -62.9 | 0 | 0 | 0 | 111.7 | K773 E777 N811 R813 | H357-K773 PolarHBondContact CD2-NZ 3.19Å; H357-K773 WeakPolarHBondContact CE1-CE 3.45Å; H357-K773 PolarHBondContact CE1-NZ 3.16Å; H357-K773 VanDerWaalsContact CG-NZ 3.32Å; H357-K773 PolarHBondContact ND1-NZ 3Å; H357-K773 VanDerWaalsContact NE2-CE 3.28Å; H357-K773 WeakPolarHBondContact NE2-CE 3.47Å; H357-K773 PolarHBondContact NE2-NZ 3.02Å; H357-E777 IonicContact CE1-OE1 3.45Å; H357-E777 PolarHBondContact CE1-OE1 3.28Å; H357-E777 IonicContact CE1-OE2 2.76Å; H357-E777 PolarHBondContact CE1-OE2 3.07Å; H357-E777 IonicContact NE2-OE1 3.4Å; H357-E777 PolarHBondContact NE2-OE1 3.17Å; H357-E777 IonicContact NE2-OE2 2.91Å; H357-E777 PolarHBondContact NE2-OE2 3.48Å; H357-N811 PolarHBondContact ND1-O 3.08Å; H357-R813 PolarHBondContact O-NE 3.05Å; H357-R813 VanDerWaalsContact O-NE 3.12Å; H357-R813 PolarHBondContact O-NH2 3.29Å | ||
| 358 | D | 50.6 | Low | 53.7 | Low | 87 Ų | 87 | 89.5 Ų | 89.5 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | trans | -74.6 | 141.1 | 162.9 | -65.2 | -31.4 | 0 | 0 | 0 | 108.5 | D360 R813 | D358-D360 PolarHBondContact O-N 3.21Å; D358-R813 WeakPolarHBondContact OD1-CD 3.34Å; D358-R813 VanDerWaalsContact OD1-CG 3.3Å; D358-R813 WeakPolarHBondContact OD1-CG 3.33Å; D358-R813 IonicContact OD1-CZ 2.94Å; D358-R813 IonicContact OD1-NE 2.77Å; D358-R813 PolarHBondContact OD1-NE 3.11Å; D358-R813 IonicContact OD1-NH2 3.12Å | ||
| 359 | E | 44.9 | Very low | 52 | Low | 157 Ų | 157 | 93.3 Ų | 93.3 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 2.7 | -168.7 | -70.6 | 172.9 | 172.7 | 0 | 0 | 117.5 | ||
| 360 | D | 36.9 | Very low | 50.6 | Low | 162 Ų | 162 | 94 Ų | 94 | 87% | 0.866 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 1.1 | -173 | -76.9 | -35.6 | 0 | 0 | 0 | 114.6 | D358 | D358-D360 PolarHBondContact O-N 3.21Š|
| 361 | G | 31.5 | Very low | 49.2 | Very low | 40 Ų | 40 | 100.8 Ų | 100.8 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -102 | 94 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | E363 | G361-E363 PolarHBondContact O-N 3.02Š|
| 362 | I | 30.4 | Very low | 47 | Very low | 146 Ų | 146 | 102 Ų | 102 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | trans | -27.4 | 107 | 173.2 | -54.3 | 173 | 0 | 0 | 0 | 110.3 | E364 | I362-E364 HydrophobicContact CG2-CG 3.94Å; I362-E364 PolarHBondContact O-N 3.43Å | ||
| 363 | E | 35.7 | Very low | 45.2 | Very low | 146 Ų | 146 | 104.5 Ų | 104.5 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | trans | -66.8 | 106.2 | 173.5 | -71.3 | 164.6 | -179.6 | 0 | 0 | 106.9 | G361 | G361-E363 PolarHBondContact O-N 3.02Š| ||
| 364 | E | 31.4 | Very low | 43.4 | Very low | 162 Ų | 162 | 109.9 Ų | 109.9 | 76% | 0.757 | 57% | 0.573 | S | S | * | * | trans | -114.8 | 7.1 | 170.6 | -70.7 | -170.1 | 171 | 0 | 0 | 110.8 | I362 | I362-E364 HydrophobicContact CG2-CG 3.94Å; I362-E364 PolarHBondContact O-N 3.43Å | ||
| 365 | E | 35.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -119.5 | -8 | -173.6 | -73.7 | -172.2 | -178 | 0 | 0 | 114.9 | K773 | E365-K773 PolarHBondContact OE1-N 2.93Å; E365-K773 PolarHBondContact OE2-N 2.95Å; E365-K773 VanDerWaalsContact OE2-N 3.12Å |
| 366 | D | 36.4 | Very low | 40 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -87.5 | -11.5 | 177.1 | -70.1 | -28.6 | 0 | 0 | 0 | 113 | D368 D369 | D366-D368 VanDerWaalsContact C-N 3.3Å; D366-D368 PolarHBondContact O-N 3.14Å; D366-D369 PolarHBondContact O-N 3.19Å |
| 367 | D | 34 | Very low | 38.7 | Very low | 87 Ų | 87 | 110.4 Ų | 110.4 | 47% | 0.465 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.2 | -23 | -177.9 | -67.8 | -33.8 | 0 | 0 | 0 | 113.8 | D369 | D367-D369 VanDerWaalsContact C-N 3.3Å; D367-D369 PolarHBondContact O-N 3.08Å |
| 368 | D | 32.4 | Very low | 37.9 | Very low | 133 Ų | 133 | 112.7 Ų | 112.7 | 71% | 0.711 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.8 | -19.5 | 179.9 | -86.1 | -16.3 | 0 | 0 | 0 | 112.7 | D366 | D366-D368 VanDerWaalsContact C-N 3.3Å; D366-D368 PolarHBondContact O-N 3.14Å |
| 369 | D | 38.8 | Very low | 38.1 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -91.3 | -29 | -177.4 | -94.3 | -40.7 | 0 | 0 | 0 | 113 | R349 D366 D367 | R349-D369 IonicContact CZ-OD1 2.67Å; R349-D369 PolarHBondContact NH1-O 3.3Å; R349-D369 IonicContact NH1-OD1 2.65Å; R349-D369 PolarHBondContact NH1-OD1 2.82Å; R349-D369 PolarHBondContact NH2-O 3.34Å; D366-D369 PolarHBondContact O-N 3.19Å; D367-D369 VanDerWaalsContact C-N 3.3Å; D367-D369 PolarHBondContact O-N 3.08Å |
| 370 | D | 38.6 | Very low | 39.1 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -85 | -25.5 | -177.8 | -75.9 | -16 | 0 | 0 | 0 | 113.8 | I372 D373 | D370-I372 PolarHBondContact O-N 3.48Å; D370-I372 VanDerWaalsContact O-N 3.1Å; D370-D373 PolarHBondContact O-N 2.96Å |
| 371 | E | 32.7 | Very low | 41.5 | Very low | 155 Ų | 155 | 107.2 Ų | 107.2 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -17.3 | 176.7 | -78.2 | -167.5 | 174.5 | 0 | 0 | 113.5 | ||
| 372 | I | 32.4 | Very low | 44.2 | Very low | 109 Ų | 109 | 106.5 Ų | 106.5 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19 | -177.3 | -60.2 | 169.6 | 0 | 0 | 0 | 112 | R349 D370 | R349-I372 VanDerWaalsContact NH2-CG2 3.27Å; D370-I372 PolarHBondContact O-N 3.48Å; D370-I372 VanDerWaalsContact O-N 3.1Å |
| 373 | D | 39.6 | Very low | 47.3 | Very low | 115 Ų | 115 | 101.3 Ų | 101.3 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1.3 | -177.4 | -128.1 | 19.3 | 0 | 0 | 0 | 113.6 | D370 D375 | D370-D373 PolarHBondContact O-N 2.96Å; D373-D375 PolarHBondContact O-N 3.48Å |
| 374 | D | 39.4 | Very low | 50.1 | Low | 133 Ų | 133 | 95.2 Ų | 95.2 | 71% | 0.711 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 15.2 | 177.5 | -123.2 | 17.1 | 0 | 0 | 0 | 113.9 | D376 | D374-D376 PolarHBondContact O-N 2.9Š|
| 375 | D | 44.4 | Very low | 52.9 | Low | 116 Ų | 116 | 89.8 Ų | 89.8 | 62% | 0.62 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.3 | 173.2 | -151.2 | -2.7 | 0 | 0 | 0 | 111 | R344 D373 T377 | R344-D375 PolarHBondContact NH1-O 2.93Å; R344-D375 IonicContact NH1-OD1 3.68Å; R344-D375 IonicContact NH1-OD2 2.8Å; R344-D375 PolarHBondContact NH2-O 3.47Å; D373-D375 PolarHBondContact O-N 3.48Å; D375-T377 PolarHBondContact O-N 3.36Å |
| 376 | D | 43.5 | Very low | 55.7 | Low | 67 Ų | 67 | 84.8 Ų | 84.8 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | trans | -60.7 | 100.8 | -178.1 | -161.4 | 18.3 | 0 | 0 | 0 | 112.6 | D374 K544 | D374-D376 PolarHBondContact O-N 2.9Å; D376-K544 IonicContact OD1-NZ 3.85Å | ||
| 377 | T | 42.8 | Very low | 58.7 | Low | 37 Ų | 37 | 80.1 Ų | 80.1 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | 179.8 | 151.2 | 123.7 | 32 | 0 | 0 | 0 | 0 | 109.1 | R344 D375 S379 K385 | R344-T377 VanDerWaalsContact NH2-C 3.33Å; R344-T377 VanDerWaalsContact NH2-N 3.18Å; R344-T377 PolarHBondContact NH2-O 3.02Å; D375-T377 PolarHBondContact O-N 3.36Å; T377-S379 PolarHBondContact O-N 2.94Å; T377-K385 WeakPolarHBondContact OG1-CE 3.34Å; T377-K385 PolarHBondContact OG1-NZ 2.91Å | |||
| 378 | I | 42.9 | Very low | 61.6 | Low | 101 Ų | 101 | 76.6 Ų | 76.6 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -55.9 | 7.3 | 168.5 | -65 | 151.9 | 0 | 0 | 0 | 113.2 | ||
| 379 | S | 54.8 | Low | 64.5 | Low | 21 Ų | 21 | 71.8 Ų | 71.8 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -113.5 | 123.8 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | D322 T377 N382 K385 | D322-S379 PolarHBondContact OD1-OG 3.39Å; T377-S379 PolarHBondContact O-N 2.94Å; S379-N382 PolarHBondContact OG-ND2 2.92Å; S379-K385 PolarHBondContact O-NZ 3.49Å |
| 380 | D | 67.1 | Low | 67.3 | Low | 147 Ų | 147 | 67.3 Ų | 67.3 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | trans | -49.1 | 157.2 | 174.2 | -63.3 | -43.1 | 0 | 0 | 0 | 111.7 | N382 | D380-N382 WeakPolarHBondContact O-CB 3.36Å; D380-N382 PolarHBondContact O-N 2.83Å; D380-N382 VanDerWaalsContact O-N 3.16Å; D380-N382 PolarHBondContact O-ND2 2.87Å | ||
| 381 | W | 85.9 | Confident | 70.1 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -51.5 | 123.2 | 171.4 | -177.2 | -108.5 | 0 | 0 | 0 | 110.4 | E286 L289 K385 C386 A389 | E286-W381 PolarHBondContact OE1-NE1 2.95Å; L289-W381 HydrophobicContact CD1-CH2 4.41Å; L289-W381 HydrophobicContact CD1-CZ2 4.38Å; W381-K385 HydrophobicContact CD2-CB 4.45Å; W381-K385 HydrophobicContact CE3-CB 3.81Å; W381-K385 HydrophobicContact CE3-CD 4.03Å; W381-K385 HydrophobicContact CH2-CB 4.41Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; W381-C386 HydrophobicContact CH2-CB 4.39Å; W381-C386 HydrophobicContact CZ2-CB 3.6Å; W381-A389 HydrophobicContact CH2-CB 4.03Å |
| 382 | N | 89.7 | Confident | 73.1 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | trans | -142.3 | 172 | -168.2 | 66.6 | 39.4 | 0 | 0 | 0 | 111.6 | S379 D380 R384 K385 C386 | S379-N382 PolarHBondContact OG-ND2 2.92Å; D380-N382 WeakPolarHBondContact O-CB 3.36Å; D380-N382 PolarHBondContact O-N 2.83Å; D380-N382 VanDerWaalsContact O-N 3.16Å; D380-N382 PolarHBondContact O-ND2 2.87Å; N382-R384 PolarHBondContact O-N 3.28Å; N382-R384 WeakPolarHBondContact OD1-CB 3.45Å; N382-R384 PolarHBondContact OD1-N 3.43Å; N382-R384 VanDerWaalsContact OD1-N 3.08Å; N382-K385 PolarHBondContact O-N 3.31Å; N382-K385 PolarHBondContact OD1-N 3.2Å; N382-C386 PolarHBondContact O-N 2.98Å | ||
| 383 | L | 94.8 | Very high | 76.1 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -35.1 | -175.7 | -180 | 61.6 | 0 | 0 | 0 | 112.8 | A281 C285 S387 | A281-L383 HydrophobicContact CB-CD1 4.23Å; A281-L383 HydrophobicContact CB-CD2 3.84Å; C285-L383 HydrophobicContact CB-CD1 3.69Å; L383-S387 VanDerWaalsContact O-CB 3.23Å; L383-S387 WeakPolarHBondContact O-CB 3.44Å; L383-S387 PolarHBondContact O-N 3.42Å; L383-S387 PolarHBondContact O-OG 3.15Å |
| 384 | R | 94.4 | Very high | 78.8 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 178.9 | 162.3 | 177.1 | 174.5 | 118.1 | -7 | 111.7 | G315 M316 Y318 N382 S387 A388 E423 | G315-R384 VanDerWaalsContact O-CA 3.23Å; G315-R384 WeakPolarHBondContact O-CA 3.31Å; M316-R384 WeakPolarHBondContact O-CD 3.39Å; M316-R384 WeakPolarHBondContact O-CG 3.38Å; M316-R384 PolarHBondContact O-NH1 3.12Å; Y318-R384 VanDerWaalsContact CD2-NH1 3.29Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.28Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.43Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.34Å; Y318-R384 PolarHBondContact OH-NH2 2.96Å; N382-R384 PolarHBondContact O-N 3.28Å; N382-R384 WeakPolarHBondContact OD1-CB 3.45Å; N382-R384 PolarHBondContact OD1-N 3.43Å; N382-R384 VanDerWaalsContact OD1-N 3.08Å; R384-S387 PolarHBondContact O-N 2.87Å; R384-A388 PolarHBondContact O-N 3.36Å; R384-E423 IonicContact CZ-OE1 3.89Å; R384-E423 IonicContact CZ-OE2 3.68Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3Å; R384-E423 IonicContact NH1-OE2 2.93Å; R384-E423 PolarHBondContact NH1-OE2 3.01Å; R384-E423 IonicContact NH2-OE1 3.44Å; R384-E423 PolarHBondContact NH2-OE1 3.48Å; R384-E423 IonicContact NH2-OE2 3.57Å; R384-E423 PolarHBondContact NH2-OE2 3.41Å |
| 385 | K | 90.8 | Very high | 81.6 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 177.3 | -70.7 | -179.6 | 170.5 | -175.8 | 0 | 111.1 | T377 S379 W381 N382 S387 A388 A389 | T377-K385 WeakPolarHBondContact OG1-CE 3.34Å; T377-K385 PolarHBondContact OG1-NZ 2.91Å; S379-K385 PolarHBondContact O-NZ 3.49Å; W381-K385 HydrophobicContact CD2-CB 4.45Å; W381-K385 HydrophobicContact CE3-CB 3.81Å; W381-K385 HydrophobicContact CE3-CD 4.03Å; W381-K385 HydrophobicContact CH2-CB 4.41Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; N382-K385 PolarHBondContact O-N 3.31Å; N382-K385 PolarHBondContact OD1-N 3.2Å; K385-S387 VanDerWaalsContact C-N 3.3Å; K385-S387 PolarHBondContact O-N 3.13Å; K385-A388 PolarHBondContact O-N 3.09Å; K385-A388 VanDerWaalsContact O-N 3.1Å; K385-A389 WeakPolarHBondContact O-CB 3.08Å; K385-A389 PolarHBondContact O-N 3.37Å |
| 386 | C | 95.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 112 | L282 C285 E286 W381 N382 A390 | L282-C386 HydrophobicContact CD1-CB 3.67Å; C285-C386 VanDerWaalsContact C-SG 3.52Å; C285-C386 HydrophobicContact CB-CB 4.42Å; C285-C386 VanDerWaalsContact CB-SG 3.6Å; C285-C386 VanDerWaalsContact SG-SG 3.61Å; E286-C386 PolarHBondContact N-SG 3.34Å; E286-C386 VanDerWaalsContact N-SG 3.41Å; E286-C386 PolarHBondContact OE2-SG 2.94Å; W381-C386 HydrophobicContact CH2-CB 4.39Å; W381-C386 HydrophobicContact CZ2-CB 3.6Å; N382-C386 PolarHBondContact O-N 2.98Å; C386-A390 WeakPolarHBondContact O-CB 3.3Å; C386-A390 PolarHBondContact O-N 2.67Å |
| 387 | S | 97.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | L312 L383 R384 K385 L391 | L312-S387 WeakPolarHBondContact O-CB 3.35Å; L383-S387 VanDerWaalsContact O-CB 3.23Å; L383-S387 WeakPolarHBondContact O-CB 3.44Å; L383-S387 PolarHBondContact O-N 3.42Å; L383-S387 PolarHBondContact O-OG 3.15Å; R384-S387 PolarHBondContact O-N 2.87Å; K385-S387 VanDerWaalsContact C-N 3.3Å; K385-S387 PolarHBondContact O-N 3.13Å; S387-L391 WeakPolarHBondContact O-CB 3.4Å; S387-L391 PolarHBondContact O-N 3.38Å |
| 388 | A | 95.9 | Very high | 88.9 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 12% | 0.116 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.6 | -48.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M316 R384 K385 A390 L391 D392 L427 | M316-A388 HydrophobicContact CE-CB 3.79Å; M316-A388 HydrophobicContact CG-CB 4.19Å; M316-A388 HydrophobicContact SD-CB 4.49Å; R384-A388 PolarHBondContact O-N 3.36Å; K385-A388 PolarHBondContact O-N 3.09Å; K385-A388 VanDerWaalsContact O-N 3.1Å; A388-A390 PolarHBondContact O-N 3.42Å; A388-L391 WeakPolarHBondContact O-CB 3.41Å; A388-L391 PolarHBondContact O-N 2.96Å; A388-L391 VanDerWaalsContact O-N 3.1Å; A388-D392 PolarHBondContact O-N 3.11Å; A388-L427 HydrophobicContact CB-CD1 4.46Å; A388-L427 HydrophobicContact CB-CD2 4.24Å |
| 389 | A | 93.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.4 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L289 W381 K385 L391 D392 V393 | L289-A389 HydrophobicContact CD1-CB 3.69Å; W381-A389 HydrophobicContact CH2-CB 4.03Å; K385-A389 WeakPolarHBondContact O-CB 3.08Å; K385-A389 PolarHBondContact O-N 3.37Å; A389-L391 VanDerWaalsContact C-N 3.26Å; A389-L391 PolarHBondContact O-N 3.28Å; A389-D392 PolarHBondContact O-N 2.71Å; A389-V393 WeakPolarHBondContact O-CG2 3.47Å; A389-V393 PolarHBondContact O-N 3.3Å |
| 390 | A | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W288 L289 L312 C386 A388 L394 | W288-A390 HydrophobicContact CB-CB 3.89Å; L289-A390 HydrophobicContact CB-CB 4.33Å; L312-A390 HydrophobicContact CD1-CB 4.34Å; L312-A390 HydrophobicContact CD2-CB 4.4Å; C386-A390 WeakPolarHBondContact O-CB 3.3Å; C386-A390 PolarHBondContact O-N 2.67Å; A388-A390 PolarHBondContact O-N 3.42Å; A390-L394 VanDerWaalsContact O-CB 3.31Å; A390-L394 WeakPolarHBondContact O-CB 3.11Å; A390-L394 WeakPolarHBondContact O-CD1 3.42Å; A390-L394 WeakPolarHBondContact O-CG 3.49Å; A390-L394 PolarHBondContact O-N 3.43Å; A390-L394 VanDerWaalsContact O-N 3.1Å |
| 391 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.5 | -37.3 | 176.9 | -176.7 | 62.1 | 0 | 0 | 0 | 112.2 | I309 V313 M316 S387 A388 A389 L394 A395 L402 I406 V428 I432 | I309-L391 HydrophobicContact CD1-CD1 3.97Å; V313-L391 HydrophobicContact CG2-CD2 4.19Å; M316-L391 HydrophobicContact CE-CD2 4.13Å; M316-L391 HydrophobicContact SD-CB 4.4Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; S387-L391 WeakPolarHBondContact O-CB 3.4Å; S387-L391 PolarHBondContact O-N 3.38Å; A388-L391 WeakPolarHBondContact O-CB 3.41Å; A388-L391 PolarHBondContact O-N 2.96Å; A388-L391 VanDerWaalsContact O-N 3.1Å; A389-L391 VanDerWaalsContact C-N 3.26Å; A389-L391 PolarHBondContact O-N 3.28Å; L391-L394 PolarHBondContact O-N 3.22Å; L391-A395 WeakPolarHBondContact O-CB 3.21Å; L391-A395 PolarHBondContact O-N 3.42Å; L391-L402 HydrophobicContact CD1-CD2 4.13Å; L391-I406 HydrophobicContact CD1-CD1 4Å; L391-I406 HydrophobicContact CD2-CD1 4.26Å; L391-V428 HydrophobicContact CD2-CG1 4.05Å; L391-V428 HydrophobicContact CD2-CG2 4.26Å; L391-I432 HydrophobicContact CD2-CG2 4.25Å; L391-I432 HydrophobicContact CG-CG2 4.21Å |
| 392 | D | 95.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -54.5 | 176.7 | -162.8 | -33.3 | 0 | 0 | 0 | 110.8 | A388 A389 L394 A395 N396 A431 R472 | A388-D392 PolarHBondContact O-N 3.11Å; A389-D392 PolarHBondContact O-N 2.71Å; D392-L394 VanDerWaalsContact C-N 3.27Å; D392-L394 PolarHBondContact O-N 3.28Å; D392-A395 WeakPolarHBondContact O-CA 3.44Å; D392-A395 VanDerWaalsContact O-CB 3.27Å; D392-A395 WeakPolarHBondContact O-CB 3.15Å; D392-A395 PolarHBondContact O-N 3.34Å; D392-N396 PolarHBondContact O-N 3.01Å; D392-N396 PolarHBondContact OD1-ND2 3.21Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.26Å; D392-A431 WeakPolarHBondContact CB-O 3.14Å; D392-R472 IonicContact OD2-NH2 2.66Å; D392-R472 PolarHBondContact OD2-NH2 2.94Å |
| 393 | V | 95.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | A292 A389 A395 N396 V397 | A292-V393 HydrophobicContact CB-CB 3.95Å; A292-V393 HydrophobicContact CB-CG1 3.47Å; A292-V393 VanDerWaalsContact CB-CG1 3.47Å; A389-V393 WeakPolarHBondContact O-CG2 3.47Å; A389-V393 PolarHBondContact O-N 3.3Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 2.92Å; V393-N396 PolarHBondContact O-N 3.19Å; V393-V397 VanDerWaalsContact O-CG2 3.31Å; V393-V397 WeakPolarHBondContact O-CG2 3.18Å; V393-V397 PolarHBondContact O-N 3.04Å |
| 394 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 173.7 | -75.7 | 170.7 | 0 | 0 | 0 | 112.8 | A292 L301 L308 I309 L312 A390 L391 D392 N396 V397 Y398 | A292-L394 HydrophobicContact CB-CD2 4.11Å; A292-L394 HydrophobicContact CB-CG 4.28Å; L301-L394 HydrophobicContact CD1-CD2 3.74Å; L308-L394 HydrophobicContact CD2-CD1 4.12Å; I309-L394 HydrophobicContact CD1-CD1 4.36Å; L312-L394 HydrophobicContact CD1-CD1 3.68Å; A390-L394 VanDerWaalsContact O-CB 3.31Å; A390-L394 WeakPolarHBondContact O-CB 3.11Å; A390-L394 WeakPolarHBondContact O-CD1 3.42Å; A390-L394 WeakPolarHBondContact O-CG 3.49Å; A390-L394 PolarHBondContact O-N 3.43Å; A390-L394 VanDerWaalsContact O-N 3.1Å; L391-L394 PolarHBondContact O-N 3.22Å; D392-L394 VanDerWaalsContact C-N 3.27Å; D392-L394 PolarHBondContact O-N 3.28Å; L394-N396 VanDerWaalsContact C-N 3.32Å; L394-V397 PolarHBondContact O-N 2.71Å; L394-Y398 HydrophobicContact CD2-CD2 4.16Å; L394-Y398 HydrophobicContact CD2-CE2 3.82Å; L394-Y398 WeakPolarHBondContact O-CB 3.28Å; L394-Y398 WeakPolarHBondContact O-CD2 3.48Å; L394-Y398 PolarHBondContact O-N 2.61Å |
| 395 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L391 D392 V393 R399 L402 I432 | L391-A395 WeakPolarHBondContact O-CB 3.21Å; L391-A395 PolarHBondContact O-N 3.42Å; D392-A395 WeakPolarHBondContact O-CA 3.44Å; D392-A395 VanDerWaalsContact O-CB 3.27Å; D392-A395 WeakPolarHBondContact O-CB 3.15Å; D392-A395 PolarHBondContact O-N 3.34Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 2.92Å; A395-R399 WeakPolarHBondContact O-CA 3.3Å; A395-R399 PolarHBondContact O-N 2.85Å; A395-L402 HydrophobicContact CB-CD2 3.86Å; A395-I432 HydrophobicContact CB-CB 4.1Å; A395-I432 HydrophobicContact CB-CG2 4.17Å |
| 396 | N | 94.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 35.8 Ų | 35.8 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -37.5 | 174.7 | -89.9 | -47.2 | 0 | 0 | 0 | 113.3 | D392 V393 L394 R399 E434 G435 | D392-N396 PolarHBondContact O-N 3.01Å; D392-N396 PolarHBondContact OD1-ND2 3.21Å; V393-N396 PolarHBondContact O-N 3.19Å; L394-N396 VanDerWaalsContact C-N 3.32Å; N396-R399 WeakPolarHBondContact O-CG 3.38Å; N396-E434 PolarHBondContact ND2-OE1 3.3Å; N396-G435 VanDerWaalsContact OD1-CA 3.3Å; N396-G435 WeakPolarHBondContact OD1-CA 3.45Å; N396-G435 PolarHBondContact OD1-N 3.01Å |
| 397 | V | 95.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -50.5 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | A292 C297 K298 V393 L394 | A292-V397 HydrophobicContact CB-CG2 4.42Å; A292-V397 VanDerWaalsContact O-CG2 3.29Å; A292-V397 WeakPolarHBondContact O-CG2 3.49Å; C297-V397 HydrophobicContact CB-CG1 4.34Å; K298-V397 WeakPolarHBondContact CE-O 3.5Å; K298-V397 HydrophobicContact CG-CG1 3.88Å; K298-V397 PolarHBondContact NZ-O 3.42Å; K298-V397 VanDerWaalsContact NZ-O 3.13Å; V393-V397 VanDerWaalsContact O-CG2 3.31Å; V393-V397 WeakPolarHBondContact O-CG2 3.18Å; V393-V397 PolarHBondContact O-N 3.04Å; L394-V397 PolarHBondContact O-N 2.71Å |
| 398 | Y | 96 | Very high | 96.1 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -88.3 | -22.4 | -173.6 | -76.5 | -89.9 | 0 | 0 | 0 | 113.6 | K298 L301 L305 L394 E401 | K298-Y398 WeakPolarHBondContact CA-OH 3.39Å; K298-Y398 HydrophobicContact CB-CE1 4.48Å; K298-Y398 HydrophobicContact CD-CE1 4.46Å; K298-Y398 HydrophobicContact CG-CD1 4.38Å; K298-Y398 HydrophobicContact CG-CE1 3.94Å; K298-Y398 HydrophobicContact CG-CE2 4.47Å; L301-Y398 VanDerWaalsContact CB-OH 3.27Å; L301-Y398 WeakPolarHBondContact CB-OH 3.46Å; L305-Y398 HydrophobicContact CD1-CE2 4.03Å; L305-Y398 HydrophobicContact CD2-CD1 3.93Å; L305-Y398 HydrophobicContact CD2-CE1 3.6Å; L305-Y398 HydrophobicContact CD2-CE2 4.39Å; L305-Y398 HydrophobicContact CD2-CG 4.42Å; L394-Y398 HydrophobicContact CD2-CD2 4.16Å; L394-Y398 HydrophobicContact CD2-CE2 3.82Å; L394-Y398 WeakPolarHBondContact O-CB 3.28Å; L394-Y398 WeakPolarHBondContact O-CD2 3.48Å; L394-Y398 PolarHBondContact O-N 2.61Å; Y398-E401 HydrophobicContact CD1-CB 4.5Å; Y398-E401 VanDerWaalsContact O-CB 3.24Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 WeakPolarHBondContact O-CG 3.42Å; Y398-E401 PolarHBondContact O-N 2.87Å |
| 399 | R | 96.3 | Very high | 96.2 | Very high | 169 Ų | 169 | 42.5 Ų | 42.5 | 64% | 0.638 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | 49.7 | -139.7 | -172.9 | -55.2 | -171.5 | 175.6 | -153.1 | -3.9 | 110.8 | A395 N396 E401 L402 G435 C436 | A395-R399 WeakPolarHBondContact O-CA 3.3Å; A395-R399 PolarHBondContact O-N 2.85Å; N396-R399 WeakPolarHBondContact O-CG 3.38Å; R399-E401 PolarHBondContact O-N 3.14Å; R399-L402 WeakPolarHBondContact O-CB 3.21Å; R399-L402 PolarHBondContact O-N 3.33Å; R399-G435 VanDerWaalsContact CA-O 3.24Å; R399-G435 WeakPolarHBondContact CA-O 3.23Å; R399-G435 WeakPolarHBondContact CB-O 3.38Å; R399-C436 PolarHBondContact O-SG 3.05Å |
| 400 | D | 96.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -56.1 | -18 | -179.3 | -59.9 | -22.2 | 0 | 0 | 0 | 114.7 | L402 L403 G439 | D400-L402 PolarHBondContact O-N 3.08Å; D400-L403 HydrophobicContact CB-CD1 4.22Å; D400-L403 WeakPolarHBondContact O-CB 3.44Å; D400-L403 PolarHBondContact O-N 3.39Å; D400-G439 WeakPolarHBondContact OD1-CA 3.36Å; D400-G439 PolarHBondContact OD1-N 2.67Å |
| 401 | E | 96 | Very high | 96.2 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -63.3 | -20.5 | 173.9 | -57.1 | 177.6 | -131 | 0 | 0 | 112.5 | K298 Y398 R399 P404 | K298-E401 IonicContact NZ-OE1 2.84Å; K298-E401 PolarHBondContact NZ-OE1 3.03Å; Y398-E401 HydrophobicContact CD1-CB 4.5Å; Y398-E401 VanDerWaalsContact O-CB 3.24Å; Y398-E401 WeakPolarHBondContact O-CB 3.42Å; Y398-E401 WeakPolarHBondContact O-CG 3.42Å; Y398-E401 PolarHBondContact O-N 2.87Å; R399-E401 PolarHBondContact O-N 3.14Å; E401-P404 WeakPolarHBondContact O-CD 3.36Å |
| 402 | L | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -77.8 | -28.2 | 178.6 | -169 | 63.7 | 0 | 0 | 0 | 112.8 | L305 I309 L391 A395 R399 D400 P404 H405 I406 I432 | L305-L402 HydrophobicContact CD1-CD1 4.5Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CG1-CD1 3.83Å; L391-L402 HydrophobicContact CD1-CD2 4.13Å; A395-L402 HydrophobicContact CB-CD2 3.86Å; R399-L402 WeakPolarHBondContact O-CB 3.21Å; R399-L402 PolarHBondContact O-N 3.33Å; D400-L402 PolarHBondContact O-N 3.08Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; L402-H405 WeakPolarHBondContact O-CB 3.36Å; L402-H405 PolarHBondContact O-N 3.36Å; L402-I406 HydrophobicContact CD1-CG1 4.47Å; L402-I406 HydrophobicContact CD2-CG1 4.19Å; L402-I406 HydrophobicContact CG-CG1 3.83Å; L402-I406 PolarHBondContact O-N 2.87Å; L402-I432 HydrophobicContact CD2-CG2 4.48Å |
| 403 | L | 96.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -40.1 | -172.1 | -66.9 | 177.5 | 0 | 0 | 0 | 115.1 | D400 H405 I406 L407 I432 C436 G439 M440 | D400-L403 HydrophobicContact CB-CD1 4.22Å; D400-L403 WeakPolarHBondContact O-CB 3.44Å; D400-L403 PolarHBondContact O-N 3.39Å; L403-H405 PolarHBondContact O-N 3.02Å; L403-H405 VanDerWaalsContact O-N 3.12Å; L403-I406 PolarHBondContact O-N 2.95Å; L403-I406 VanDerWaalsContact O-N 3.14Å; L403-L407 HydrophobicContact CB-CD1 4.07Å; L403-L407 HydrophobicContact CB-CG 4.31Å; L403-L407 WeakPolarHBondContact O-CB 3.38Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.47Å; L403-I432 HydrophobicContact CD2-CD1 4.42Å; L403-C436 HydrophobicContact CD2-CB 3.83Å; L403-C436 HydrophobicContact CG-CB 4.23Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; L403-G439 VanDerWaalsContact CD1-CA 3.48Å; L403-M440 HydrophobicContact CD2-CG 3.89Å; L403-M440 HydrophobicContact CD2-SD 3.59Å; L403-M440 VanDerWaalsContact CD2-SD 3.59Å |
| 404 | P | 96.8 | Very high | 96.2 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 59% | 0.591 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -59.4 | -24.3 | 176.3 | -24.9 | 35.8 | 0 | 0 | 0 | 114.1 | E401 L402 P408 | E401-P404 WeakPolarHBondContact O-CD 3.36Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; P404-P408 WeakPolarHBondContact O-CD 3.47Å |
| 405 | H | 96.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -87.5 | -32.7 | 177.8 | -59.1 | -69.5 | 0 | 0 | 0 | 112.3 | I309 L402 L403 | I309-H405 HydrophobicContact CB-CB 4.45Å; I309-H405 HydrophobicContact CG1-CB 4.39Å; I309-H405 HydrophobicContact CG2-CB 4.28Å; L402-H405 WeakPolarHBondContact O-CB 3.36Å; L402-H405 PolarHBondContact O-N 3.36Å; L403-H405 PolarHBondContact O-N 3.02Å; L403-H405 VanDerWaalsContact O-N 3.12Å |
| 406 | I | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -89.7 | -42.4 | -174.3 | -67.9 | -72.4 | 0 | 0 | 0 | 113.1 | I309 V313 L391 L402 L403 P408 L409 L410 V428 I432 | I309-I406 HydrophobicContact CG2-CD1 3.26Å; I309-I406 HydrophobicContact CG2-CG1 3.99Å; V313-I406 HydrophobicContact CG2-CD1 4.12Å; L391-I406 HydrophobicContact CD1-CD1 4Å; L391-I406 HydrophobicContact CD2-CD1 4.26Å; L402-I406 HydrophobicContact CD1-CG1 4.47Å; L402-I406 HydrophobicContact CD2-CG1 4.19Å; L402-I406 HydrophobicContact CG-CG1 3.83Å; L402-I406 PolarHBondContact O-N 2.87Å; L403-I406 PolarHBondContact O-N 2.95Å; L403-I406 VanDerWaalsContact O-N 3.14Å; I406-P408 VanDerWaalsContact C-CD 3.46Å; I406-L409 WeakPolarHBondContact O-CA 3.2Å; I406-L409 WeakPolarHBondContact O-CB 3.45Å; I406-L409 PolarHBondContact O-N 3.09Å; I406-L410 HydrophobicContact CG2-CD1 3.61Å; I406-L410 HydrophobicContact CG2-CG 3.76Å; I406-L410 PolarHBondContact O-N 3.36Å; I406-V428 HydrophobicContact CD1-CG1 4.36Å; I406-V428 HydrophobicContact CG2-CG1 4.03Å; I406-I432 HydrophobicContact CG2-CD1 3.76Å |
| 407 | L | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -40.6 | -174.7 | -71.4 | 171.2 | 0 | 0 | 0 | 114.1 | L403 L409 K411 M440 Y443 | L403-L407 HydrophobicContact CB-CD1 4.07Å; L403-L407 HydrophobicContact CB-CG 4.31Å; L403-L407 WeakPolarHBondContact O-CB 3.38Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.43Å; L403-L407 PolarHBondContact O-N 3.47Å; L407-L409 VanDerWaalsContact C-N 3.31Å; L407-L409 PolarHBondContact O-N 3.33Å; L407-K411 PolarHBondContact O-N 3.06Å; L407-K411 VanDerWaalsContact O-N 3.15Å; L407-M440 HydrophobicContact CD2-SD 4.08Å; L407-Y443 HydrophobicContact CD1-CE2 3.95Å; L407-Y443 HydrophobicContact CD2-CD2 4.32Å; L407-Y443 HydrophobicContact CD2-CE2 4.14Å |
| 408 | P | 96.8 | Very high | 96.2 | Very high | 72 Ų | 72 | 69.7 Ų | 69.7 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 174.8 | -22.8 | 34.8 | 0 | 0 | 0 | 112.7 | P404 I406 | P404-P408 WeakPolarHBondContact O-CD 3.47Å; I406-P408 VanDerWaalsContact C-CD 3.46Å |
| 409 | L | 97.6 | Very high | 96.1 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -50.3 | 178.6 | -59.7 | 172.6 | 0 | 0 | 0 | 110.3 | I309 P310 V313 I406 L407 K411 E412 L413 | I309-L409 HydrophobicContact CG2-CD1 4.12Å; P310-L409 HydrophobicContact CG-CD1 4.31Å; V313-L409 HydrophobicContact CB-CD1 4.28Å; V313-L409 HydrophobicContact CG1-CD1 4.33Å; V313-L409 HydrophobicContact CG2-CD1 4.01Å; I406-L409 WeakPolarHBondContact O-CA 3.2Å; I406-L409 WeakPolarHBondContact O-CB 3.45Å; I406-L409 PolarHBondContact O-N 3.09Å; L407-L409 VanDerWaalsContact C-N 3.31Å; L407-L409 PolarHBondContact O-N 3.33Å; L409-K411 PolarHBondContact O-N 3.13Å; L409-E412 PolarHBondContact O-N 3Å; L409-L413 HydrophobicContact CB-CD1 4.33Å; L409-L413 VanDerWaalsContact O-CG 3.22Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 3.29Å |
| 410 | L | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.7 | -40.1 | 178.5 | -79.8 | 178.4 | 0 | 0 | 0 | 112.6 | I406 E412 L413 L414 G425 V428 L429 I432 | I406-L410 HydrophobicContact CG2-CD1 3.61Å; I406-L410 HydrophobicContact CG2-CG 3.76Å; I406-L410 PolarHBondContact O-N 3.36Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 2.86Å; L410-L413 PolarHBondContact O-N 3.26Å; L410-L414 HydrophobicContact CB-CD1 4.16Å; L410-L414 HydrophobicContact CD2-CD1 4.25Å; L410-L414 HydrophobicContact CD2-CG 4.24Å; L410-L414 WeakPolarHBondContact O-CB 3.39Å; L410-L414 VanDerWaalsContact O-CG 3.32Å; L410-L414 WeakPolarHBondContact O-CG 3.4Å; L410-L414 PolarHBondContact O-N 3.43Å; L410-G425 VanDerWaalsContact CD2-O 3.23Å; L410-G425 WeakPolarHBondContact CD2-O 3.45Å; L410-V428 HydrophobicContact CD2-CB 3.96Å; L410-V428 HydrophobicContact CD2-CG1 3.7Å; L410-V428 HydrophobicContact CG-CG1 4.18Å; L410-L429 HydrophobicContact CD1-CD1 4.22Å; L410-L429 HydrophobicContact CD2-CB 4.1Å; L410-I432 HydrophobicContact CD1-CD1 4.03Å |
| 411 | K | 93.6 | Very high | 96.1 | Very high | 164 Ų | 164 | 62.4 Ų | 62.4 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.1 | -34.2 | 178.4 | -171.7 | 174.8 | -178.4 | 175.6 | 0 | 113.1 | L407 L409 | L407-K411 PolarHBondContact O-N 3.06Å; L407-K411 VanDerWaalsContact O-N 3.15Å; L409-K411 PolarHBondContact O-N 3.13Å |
| 412 | E | 95.3 | Very high | 96.2 | Very high | 143 Ų | 143 | 58.6 Ų | 58.6 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -80.6 | -33.3 | 177.2 | -66.1 | -179 | 178.9 | 0 | 0 | 112 | L409 L410 | L409-E412 PolarHBondContact O-N 3Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 2.86Å |
| 413 | L | 97.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.2 | -53.9 | -174.9 | -60.9 | 170.4 | 0 | 0 | 0 | 112.8 | V313 L409 L410 F415 H416 V421 K422 | V313-L413 HydrophobicContact CG1-CD1 3.59Å; L409-L413 HydrophobicContact CB-CD1 4.33Å; L409-L413 VanDerWaalsContact O-CG 3.22Å; L409-L413 WeakPolarHBondContact O-CG 3.29Å; L409-L413 PolarHBondContact O-N 3.29Å; L410-L413 PolarHBondContact O-N 3.26Å; L413-F415 PolarHBondContact O-N 3.25Å; L413-H416 VanDerWaalsContact O-CB 3.26Å; L413-H416 WeakPolarHBondContact O-CB 3.46Å; L413-H416 PolarHBondContact O-N 3.1Å; L413-V421 HydrophobicContact CD2-CG1 3.43Å; L413-V421 VanDerWaalsContact CD2-CG1 3.43Å; L413-K422 WeakPolarHBondContact O-CA 3.38Å |
| 414 | L | 96.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.8 | -169.1 | -71.4 | 171.9 | 0 | 0 | 0 | 114.2 | L410 K422 G425 I426 L429 L447 | L410-L414 HydrophobicContact CB-CD1 4.16Å; L410-L414 HydrophobicContact CD2-CD1 4.25Å; L410-L414 HydrophobicContact CD2-CG 4.24Å; L410-L414 WeakPolarHBondContact O-CB 3.39Å; L410-L414 VanDerWaalsContact O-CG 3.32Å; L410-L414 WeakPolarHBondContact O-CG 3.4Å; L410-L414 PolarHBondContact O-N 3.43Å; L414-K422 WeakPolarHBondContact O-CG 3.38Å; L414-G425 WeakPolarHBondContact CD2-O 3.45Å; L414-I426 HydrophobicContact CD2-CG1 3.87Å; L414-L429 HydrophobicContact CD1-CD2 4.34Å; L414-L429 HydrophobicContact CD2-CD2 4.28Å; L414-L447 HydrophobicContact CD1-CD2 3.83Å |
| 415 | F | 94.1 | Very high | 96.4 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 10.9 | -178.9 | -55.3 | -77.7 | 0 | 0 | 0 | 112.8 | L413 H450 | L413-F415 PolarHBondContact O-N 3.25Å; F415-H450 AromaticContact CD1-CE1 3.74Å; F415-H450 AromaticContact CD1-NE2 3.72Å; F415-H450 AromaticContact CE1-CD2 3.66Å; F415-H450 AromaticContact CE1-CE1 3.5Å; F415-H450 AromaticContact CE1-CG 3.84Å; F415-H450 AromaticContact CE1-ND1 3.74Å; F415-H450 AromaticContact CE1-NE2 3.43Å; F415-H450 WeakPolarHBondContact CE1-NE2 3.48Å |
| 416 | H | 96.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | trans | -66.1 | 146.6 | -179.6 | -162 | -97.3 | 0 | 0 | 0 | 111.7 | L413 E418 V421 K422 | L413-H416 VanDerWaalsContact O-CB 3.26Å; L413-H416 WeakPolarHBondContact O-CB 3.46Å; L413-H416 PolarHBondContact O-N 3.1Å; H416-E418 IonicContact CE1-OE2 2.69Å; H416-E418 WeakPolarHBondContact ND1-CB 3.39Å; H416-E418 PolarHBondContact ND1-N 2.83Å; H416-V421 HydrophobicContact CB-CB 4.01Å; H416-V421 HydrophobicContact CB-CG1 3.72Å; H416-V421 WeakPolarHBondContact ND1-CB 3.44Å; H416-K422 WeakPolarHBondContact O-CE 3.25Å | ||
| 417 | H | 95.1 | Very high | 96.6 | Very high | 155 Ų | 155 | 51.3 Ų | 51.3 | 72% | 0.718 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -75.9 | -31.8 | -176.9 | 70.1 | -69.9 | 0 | 0 | 0 | 113.3 | ||
| 418 | E | 95.9 | Very high | 96.7 | Very high | 105 Ų | 105 | 49.1 Ų | 49.1 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -79.5 | 127.4 | 173 | -61.5 | 179 | 171.8 | 0 | 0 | 110.2 | H416 V420 V421 K422 | H416-E418 IonicContact CE1-OE2 2.69Å; H416-E418 WeakPolarHBondContact ND1-CB 3.39Å; H416-E418 PolarHBondContact ND1-N 2.83Å; E418-V420 VanDerWaalsContact C-N 3.33Å; E418-V420 PolarHBondContact O-N 3.3Å; E418-V421 HydrophobicContact CB-CG2 4.31Å; E418-V421 PolarHBondContact O-N 2.95Å; E418-K422 PolarHBondContact O-N 3.19Å; E418-K422 VanDerWaalsContact O-N 3.12Å |
| 419 | W | 94.9 | Very high | 96.8 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | -173.7 | 74.3 | -89.8 | 0 | 0 | 0 | 112.6 | Y318 I323 V421 K422 E423 K459 L461 V462 | Y318-W419 HydrophobicContact CD2-CH2 4.47Å; Y318-W419 HydrophobicContact CD2-CZ3 4.27Å; I323-W419 HydrophobicContact CD1-CH2 4.3Å; I323-W419 HydrophobicContact CD1-CZ2 4.16Å; I323-W419 HydrophobicContact CG1-CH2 4.04Å; I323-W419 HydrophobicContact CG1-CZ2 4.21Å; I323-W419 HydrophobicContact CG2-CH2 4.49Å; I323-W419 HydrophobicContact CG2-CZ2 4.08Å; W419-V421 VanDerWaalsContact C-N 3.31Å; W419-V421 PolarHBondContact O-N 2.91Å; W419-K422 PolarHBondContact O-N 3.44Å; W419-E423 HydrophobicContact CE3-CB 4.2Å; W419-E423 HydrophobicContact CE3-CG 4.43Å; W419-E423 HydrophobicContact CZ3-CG 4.37Å; W419-E423 WeakPolarHBondContact O-CB 3.37Å; W419-E423 PolarHBondContact O-N 3.41Å; W419-K459 HydrophobicContact CB-CB 4.45Å; W419-K459 HydrophobicContact CB-CG 4.01Å; W419-K459 HydrophobicContact CD2-CG 4.34Å; W419-K459 HydrophobicContact CG-CD 4.41Å; W419-K459 HydrophobicContact CG-CG 3.91Å; W419-L461 HydrophobicContact CE3-CB 4.42Å; W419-L461 HydrophobicContact CH2-CB 4.43Å; W419-L461 HydrophobicContact CH2-CD1 3.46Å; W419-L461 VanDerWaalsContact CH2-CD1 3.46Å; W419-L461 HydrophobicContact CZ2-CD1 4.49Å; W419-L461 HydrophobicContact CZ3-CB 3.77Å; W419-L461 HydrophobicContact CZ3-CD1 3.67Å; W419-L461 HydrophobicContact CZ3-CG 4.36Å; W419-V462 HydrophobicContact CB-CG2 3.99Å; W419-V462 HydrophobicContact CE3-CG2 4.2Å |
| 420 | V | 95.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | -179.9 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | K317 I323 E418 S424 | K317-V420 HydrophobicContact CB-CG1 4.18Å; K317-V420 HydrophobicContact CG-CG1 4.46Å; I323-V420 HydrophobicContact CD1-CG2 3.81Å; E418-V420 VanDerWaalsContact C-N 3.33Å; E418-V420 PolarHBondContact O-N 3.3Å; V420-S424 PolarHBondContact O-N 3.5Å; V420-S424 VanDerWaalsContact O-N 3.13Å |
| 421 | V | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 15% | 0.145 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.4 | -39.8 | 179 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | 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 4.01Å; H416-V421 HydrophobicContact CB-CG1 3.72Å; H416-V421 WeakPolarHBondContact ND1-CB 3.44Å; E418-V421 HydrophobicContact CB-CG2 4.31Å; E418-V421 PolarHBondContact O-N 2.95Å; W419-V421 VanDerWaalsContact C-N 3.31Å; W419-V421 PolarHBondContact O-N 2.91Å; V421-S424 PolarHBondContact O-OG 3.2Å; V421-G425 PolarHBondContact O-N 2.95Å; V421-G425 VanDerWaalsContact O-N 3.15Å |
| 422 | K | 97.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 36 Ų | 36 | 16% | 0.161 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.3 | -174.1 | -169.5 | -59.9 | -179.1 | 0 | 111.4 | L413 L414 H416 E418 W419 S424 G425 I426 D457 V462 | L413-K422 WeakPolarHBondContact O-CA 3.38Å; L414-K422 WeakPolarHBondContact O-CG 3.38Å; H416-K422 WeakPolarHBondContact O-CE 3.25Å; E418-K422 PolarHBondContact O-N 3.19Å; E418-K422 VanDerWaalsContact O-N 3.12Å; W419-K422 PolarHBondContact O-N 3.44Å; K422-S424 PolarHBondContact O-N 3.18Å; K422-G425 WeakPolarHBondContact O-CA 3.49Å; K422-G425 PolarHBondContact O-N 3.24Å; K422-I426 HydrophobicContact CD-CD1 4.5Å; K422-I426 HydrophobicContact CG-CD1 4.2Å; K422-I426 WeakPolarHBondContact O-CG1 3.49Å; K422-I426 PolarHBondContact O-N 3.26Å; K422-D457 IonicContact NZ-OD2 3.69Å; K422-D457 PolarHBondContact NZ-OD2 3.06Å; K422-V462 HydrophobicContact CD-CG1 4.4Å |
| 423 | E | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | -179.9 | -169.8 | -68.6 | 147 | 0 | 0 | 110.6 | Y318 R384 W419 G425 I426 L427 V462 I465 | Y318-E423 HydrophobicContact CE2-CG 4.28Å; R384-E423 IonicContact CZ-OE1 3.89Å; R384-E423 IonicContact CZ-OE2 3.68Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3Å; R384-E423 IonicContact NH1-OE2 2.93Å; R384-E423 PolarHBondContact NH1-OE2 3.01Å; R384-E423 IonicContact NH2-OE1 3.44Å; R384-E423 PolarHBondContact NH2-OE1 3.48Å; R384-E423 IonicContact NH2-OE2 3.57Å; R384-E423 PolarHBondContact NH2-OE2 3.41Å; W419-E423 HydrophobicContact CE3-CB 4.2Å; W419-E423 HydrophobicContact CE3-CG 4.43Å; W419-E423 HydrophobicContact CZ3-CG 4.37Å; W419-E423 WeakPolarHBondContact O-CB 3.37Å; W419-E423 PolarHBondContact O-N 3.41Å; E423-G425 VanDerWaalsContact C-N 3.27Å; E423-G425 PolarHBondContact O-N 3.46Å; E423-I426 PolarHBondContact O-N 2.92Å; E423-I426 VanDerWaalsContact O-N 3.1Å; E423-L427 PolarHBondContact O-N 3.15Å; E423-V462 HydrophobicContact CB-CG2 4.16Å; E423-V462 HydrophobicContact CG-CG2 4.46Å; E423-I465 HydrophobicContact CG-CG2 3.75Å; E423-I465 WeakPolarHBondContact OE1-CB 3.16Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.41Å |
| 424 | S | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 175.4 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | V420 V421 K422 L427 V428 | V420-S424 PolarHBondContact O-N 3.5Å; V420-S424 VanDerWaalsContact O-N 3.13Å; V421-S424 PolarHBondContact O-OG 3.2Å; K422-S424 PolarHBondContact O-N 3.18Å; S424-L427 PolarHBondContact O-N 2.97Å; S424-V428 VanDerWaalsContact O-CG2 3.22Å; S424-V428 WeakPolarHBondContact O-CG2 3.5Å; S424-V428 PolarHBondContact O-N 2.86Å |
| 425 | G | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L410 L414 V421 K422 E423 V428 L429 | L410-G425 VanDerWaalsContact CD2-O 3.23Å; L410-G425 WeakPolarHBondContact CD2-O 3.45Å; L414-G425 WeakPolarHBondContact CD2-O 3.45Å; V421-G425 PolarHBondContact O-N 2.95Å; V421-G425 VanDerWaalsContact O-N 3.15Å; K422-G425 WeakPolarHBondContact O-CA 3.49Å; K422-G425 PolarHBondContact O-N 3.24Å; E423-G425 VanDerWaalsContact C-N 3.27Å; E423-G425 PolarHBondContact O-N 3.46Å; G425-V428 PolarHBondContact O-N 3.33Å; G425-L429 PolarHBondContact O-N 3.49Å; G425-L429 VanDerWaalsContact O-N 3.08Å |
| 426 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.9 | -44.4 | 176.2 | -62.8 | 168.3 | 0 | 0 | 0 | 109.6 | L414 K422 E423 V428 L429 G430 L451 C454 V462 I465 T469 | L414-I426 HydrophobicContact CD2-CG1 3.87Å; K422-I426 HydrophobicContact CD-CD1 4.5Å; K422-I426 HydrophobicContact CG-CD1 4.2Å; K422-I426 WeakPolarHBondContact O-CG1 3.49Å; K422-I426 PolarHBondContact O-N 3.26Å; E423-I426 PolarHBondContact O-N 2.92Å; E423-I426 VanDerWaalsContact O-N 3.1Å; I426-V428 PolarHBondContact O-N 3.21Å; I426-L429 WeakPolarHBondContact O-CB 3.5Å; I426-L429 PolarHBondContact O-N 2.87Å; I426-L429 VanDerWaalsContact O-N 3.1Å; I426-G430 PolarHBondContact O-N 2.76Å; I426-G430 VanDerWaalsContact O-N 3.1Å; I426-L451 HydrophobicContact CG1-CD2 4.12Å; I426-L451 HydrophobicContact CG2-CD2 3.98Å; I426-C454 HydrophobicContact CD1-CB 4.45Å; I426-V462 HydrophobicContact CD1-CG1 3.95Å; I426-I465 HydrophobicContact CB-CG2 4.04Å; I426-I465 HydrophobicContact CG2-CG1 4.21Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; I426-T469 HydrophobicContact CG2-CG2 4.09Å; I426-T469 VanDerWaalsContact CG2-OG1 3.28Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.44Å; I426-T469 PolarHBondContact O-OG1 3.26Å; I426-T469 VanDerWaalsContact O-OG1 3.1Å |
| 427 | L | 97.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.5 | -46.9 | 173.1 | 176.2 | 62.8 | 0 | 0 | 0 | 112.1 | M316 A388 E423 S424 L429 G430 A431 I465 W468 | M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.35Å; M316-L427 HydrophobicContact CE-CD2 3.81Å; M316-L427 HydrophobicContact CE-CG 3.56Å; A388-L427 HydrophobicContact CB-CD1 4.46Å; A388-L427 HydrophobicContact CB-CD2 4.24Å; E423-L427 PolarHBondContact O-N 3.15Å; S424-L427 PolarHBondContact O-N 2.97Å; L427-L429 VanDerWaalsContact C-N 3.27Å; L427-L429 PolarHBondContact O-N 3.03Å; L427-G430 PolarHBondContact O-N 3.45Å; L427-A431 WeakPolarHBondContact O-CB 3.39Å; L427-A431 PolarHBondContact O-N 3.42Å; L427-I465 HydrophobicContact CB-CD1 4.02Å; L427-I465 HydrophobicContact CB-CG1 3.93Å; L427-I465 HydrophobicContact CD1-CD1 3.66Å; L427-I465 HydrophobicContact CG-CD1 4.39Å; L427-W468 HydrophobicContact CD1-CE3 4.43Å; L427-W468 HydrophobicContact CD1-CH2 4.23Å; L427-W468 HydrophobicContact CD1-CZ3 3.8Å |
| 428 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | V313 M316 L391 I406 L410 S424 G425 I426 G430 A431 I432 | V313-V428 HydrophobicContact CB-CG2 4.42Å; V313-V428 HydrophobicContact CG1-CG2 4.06Å; V313-V428 HydrophobicContact CG2-CG1 4.41Å; V313-V428 HydrophobicContact CG2-CG2 3.97Å; M316-V428 HydrophobicContact CE-CB 4.23Å; M316-V428 HydrophobicContact CE-CG2 3.47Å; M316-V428 VanDerWaalsContact CE-CG2 3.47Å; M316-V428 HydrophobicContact SD-CG2 3.62Å; L391-V428 HydrophobicContact CD2-CG1 4.05Å; L391-V428 HydrophobicContact CD2-CG2 4.26Å; I406-V428 HydrophobicContact CD1-CG1 4.36Å; I406-V428 HydrophobicContact CG2-CG1 4.03Å; L410-V428 HydrophobicContact CD2-CB 3.96Å; L410-V428 HydrophobicContact CD2-CG1 3.7Å; L410-V428 HydrophobicContact CG-CG1 4.18Å; S424-V428 VanDerWaalsContact O-CG2 3.22Å; S424-V428 WeakPolarHBondContact O-CG2 3.5Å; S424-V428 PolarHBondContact O-N 2.86Å; G425-V428 PolarHBondContact O-N 3.33Å; I426-V428 PolarHBondContact O-N 3.21Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 2.9Å; V428-A431 PolarHBondContact O-N 3.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.36Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 3.49Å |
| 429 | L | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 179.7 | 177.9 | 61.1 | 0 | 0 | 0 | 112.3 | L410 L414 G425 I426 L427 M440 L447 L451 T469 Y473 | L410-L429 HydrophobicContact CD1-CD1 4.22Å; L410-L429 HydrophobicContact CD2-CB 4.1Å; L414-L429 HydrophobicContact CD1-CD2 4.34Å; L414-L429 HydrophobicContact CD2-CD2 4.28Å; G425-L429 PolarHBondContact O-N 3.49Å; G425-L429 VanDerWaalsContact O-N 3.08Å; I426-L429 WeakPolarHBondContact O-CB 3.5Å; I426-L429 PolarHBondContact O-N 2.87Å; I426-L429 VanDerWaalsContact O-N 3.1Å; L427-L429 VanDerWaalsContact C-N 3.27Å; L427-L429 PolarHBondContact O-N 3.03Å; L429-M440 HydrophobicContact CD1-CE 3.31Å; L429-L447 HydrophobicContact CD1-CD1 4Å; L429-L447 HydrophobicContact CD2-CD1 4.36Å; L429-L451 HydrophobicContact CD2-CD1 3.85Å; L429-L451 HydrophobicContact CD2-CD2 4.32Å; L429-L451 HydrophobicContact CD2-CG 4.37Å; L429-T469 HydrophobicContact CB-CG2 4.22Å; L429-T469 HydrophobicContact CD2-CG2 4.31Å; L429-T469 HydrophobicContact CG-CG2 4.1Å; L429-Y473 HydrophobicContact CD1-CE2 4.37Å; L429-Y473 HydrophobicContact CG-CE2 4.18Å; L429-Y473 WeakPolarHBondContact O-CE2 3.35Å; L429-Y473 PolarHBondContact O-OH 3.15Å |
| 430 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.4 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I426 L427 V428 I432 A433 | I426-G430 PolarHBondContact O-N 2.76Å; I426-G430 VanDerWaalsContact O-N 3.1Å; L427-G430 PolarHBondContact O-N 3.45Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 2.9Å; G430-I432 PolarHBondContact O-N 3Å; G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 3.4Å |
| 431 | A | 95.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.5 | -26 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M316 D392 L427 V428 | M316-A431 HydrophobicContact CE-CB 4.26Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.26Å; D392-A431 WeakPolarHBondContact CB-O 3.14Å; L427-A431 WeakPolarHBondContact O-CB 3.39Å; L427-A431 PolarHBondContact O-N 3.42Å; V428-A431 PolarHBondContact O-N 3.32Å |
| 432 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.9 | 177.1 | 69.4 | -179.3 | 0 | 0 | 0 | 113.4 | L391 A395 L402 L403 I406 L410 V428 G430 E434 C436 M440 | L391-I432 HydrophobicContact CD2-CG2 4.25Å; L391-I432 HydrophobicContact CG-CG2 4.21Å; A395-I432 HydrophobicContact CB-CB 4.1Å; A395-I432 HydrophobicContact CB-CG2 4.17Å; L402-I432 HydrophobicContact CD2-CG2 4.48Å; L403-I432 HydrophobicContact CD2-CD1 4.42Å; I406-I432 HydrophobicContact CG2-CD1 3.76Å; L410-I432 HydrophobicContact CD1-CD1 4.03Å; V428-I432 WeakPolarHBondContact O-CG1 3.36Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 3.49Å; G430-I432 PolarHBondContact O-N 3Å; I432-E434 PolarHBondContact O-N 2.88Å; I432-C436 HydrophobicContact CB-CB 4.39Å; I432-C436 VanDerWaalsContact O-CB 3.25Å; I432-C436 WeakPolarHBondContact O-CB 3.4Å; I432-C436 PolarHBondContact O-N 3.46Å; I432-M440 HydrophobicContact CD1-SD 4.26Å |
| 433 | A | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G430 M437 R472 Y473 | G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 3.4Å; A433-M437 WeakPolarHBondContact O-CA 3.42Å; A433-M437 WeakPolarHBondContact O-CB 3.22Å; A433-M437 PolarHBondContact O-N 3.41Å; A433-R472 HydrophobicContact CB-CB 3.85Å; A433-Y473 WeakPolarHBondContact CA-OH 3.46Å; A433-Y473 HydrophobicContact CB-CD1 4.42Å; A433-Y473 HydrophobicContact CB-CD2 4.27Å; A433-Y473 HydrophobicContact CB-CE1 3.82Å; A433-Y473 HydrophobicContact CB-CE2 3.65Å |
| 434 | E | 89 | Confident | 96.6 | Very high | 81 Ų | 81 | 26.6 Ų | 26.6 | 38% | 0.379 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.2 | -57.6 | -176.6 | -168.1 | -171.2 | 121.8 | 0 | 0 | 111.7 | N396 I432 C436 R472 | N396-E434 PolarHBondContact ND2-OE1 3.3Å; I432-E434 PolarHBondContact O-N 2.88Å; E434-C436 PolarHBondContact O-N 2.66Å; E434-R472 IonicContact OE2-CZ 2.79Å; E434-R472 IonicContact OE2-NH1 3.66Å; E434-R472 IonicContact OE2-NH2 2.66Å; E434-R472 PolarHBondContact OE2-NH2 3.26Å |
| 435 | G | 91.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.2 | -31.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N396 R399 | N396-G435 VanDerWaalsContact OD1-CA 3.3Å; N396-G435 WeakPolarHBondContact OD1-CA 3.45Å; N396-G435 PolarHBondContact OD1-N 3.01Å; R399-G435 VanDerWaalsContact CA-O 3.24Å; R399-G435 WeakPolarHBondContact CA-O 3.23Å; R399-G435 WeakPolarHBondContact CB-O 3.38Å |
| 436 | C | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -111.1 | 15.3 | -175 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | R399 L403 I432 E434 Q438 G439 M440 | R399-C436 PolarHBondContact O-SG 3.05Å; L403-C436 HydrophobicContact CD2-CB 3.83Å; L403-C436 HydrophobicContact CG-CB 4.23Å; I432-C436 HydrophobicContact CB-CB 4.39Å; I432-C436 VanDerWaalsContact O-CB 3.25Å; I432-C436 WeakPolarHBondContact O-CB 3.4Å; I432-C436 PolarHBondContact O-N 3.46Å; E434-C436 PolarHBondContact O-N 2.66Å; C436-Q438 VanDerWaalsContact C-N 3.34Å; C436-Q438 PolarHBondContact O-N 3.12Å; C436-G439 PolarHBondContact O-N 3.36Å; C436-M440 HydrophobicContact CB-CG 4.28Å; C436-M440 WeakPolarHBondContact O-CB 3.26Å; C436-M440 WeakPolarHBondContact O-CG 3.36Å; C436-M440 PolarHBondContact O-N 3.38Å |
| 437 | M | 95 | Very high | 96.5 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -50.4 | -51.5 | -173.3 | -178.5 | 57.2 | 70.8 | 0 | 0 | 112.4 | A433 G439 M440 I441 L444 Y473 | A433-M437 WeakPolarHBondContact O-CA 3.42Å; A433-M437 WeakPolarHBondContact O-CB 3.22Å; A433-M437 PolarHBondContact O-N 3.41Å; M437-G439 PolarHBondContact O-N 3.01Å; M437-M440 PolarHBondContact O-N 3.14Å; M437-I441 WeakPolarHBondContact O-CG1 3.14Å; M437-I441 PolarHBondContact O-N 3.1Å; M437-L444 HydrophobicContact SD-CD1 4.22Å; M437-Y473 HydrophobicContact CE-CD1 3.45Å; M437-Y473 VanDerWaalsContact CE-CD1 3.45Å; M437-Y473 HydrophobicContact CE-CE1 3.75Å; M437-Y473 HydrophobicContact CE-CG 4.37Å; M437-Y473 HydrophobicContact SD-CD1 3.69Å; M437-Y473 HydrophobicContact SD-CE1 3.86Å |
| 438 | Q | 94.5 | Very high | 96.6 | Very high | 137 Ų | 137 | 36.7 Ų | 36.7 | 64% | 0.64 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.4 | -45.2 | -173.1 | -65.1 | -58.9 | -40.1 | 0 | 0 | 112.5 | C436 M440 | C436-Q438 VanDerWaalsContact C-N 3.34Å; C436-Q438 PolarHBondContact O-N 3.12Å; Q438-M440 VanDerWaalsContact C-N 3.28Å; Q438-M440 PolarHBondContact O-N 3.27Å |
| 439 | G | 96.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.6 | -17.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D400 L403 C436 M437 P442 Y443 | D400-G439 WeakPolarHBondContact OD1-CA 3.36Å; D400-G439 PolarHBondContact OD1-N 2.67Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; L403-G439 VanDerWaalsContact CD1-CA 3.48Å; C436-G439 PolarHBondContact O-N 3.36Å; M437-G439 PolarHBondContact O-N 3.01Å; G439-P442 WeakPolarHBondContact O-CD 3.46Å; G439-Y443 WeakPolarHBondContact O-CE2 3.38Å |
| 440 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.8 | -27.2 | 176.4 | -75.8 | -61.3 | -64.8 | 0 | 0 | 114 | L403 L407 L429 I432 C436 M437 Q438 P442 Y443 L444 L447 Y473 | L403-M440 HydrophobicContact CD2-CG 3.89Å; L403-M440 HydrophobicContact CD2-SD 3.59Å; L403-M440 VanDerWaalsContact CD2-SD 3.59Å; L407-M440 HydrophobicContact CD2-SD 4.08Å; L429-M440 HydrophobicContact CD1-CE 3.31Å; I432-M440 HydrophobicContact CD1-SD 4.26Å; C436-M440 HydrophobicContact CB-CG 4.28Å; C436-M440 WeakPolarHBondContact O-CB 3.26Å; C436-M440 WeakPolarHBondContact O-CG 3.36Å; C436-M440 PolarHBondContact O-N 3.38Å; M437-M440 PolarHBondContact O-N 3.14Å; Q438-M440 VanDerWaalsContact C-N 3.28Å; Q438-M440 PolarHBondContact O-N 3.27Å; M440-P442 VanDerWaalsContact C-N 3.29Å; M440-P442 VanDerWaalsContact O-N 3.09Å; M440-Y443 PolarHBondContact O-N 2.96Å; M440-Y443 HydrophobicContact SD-CD2 4.29Å; M440-L444 PolarHBondContact O-N 2.78Å; M440-L447 HydrophobicContact CE-CD1 3.64Å; M440-Y473 HydrophobicContact CB-CE1 4.49Å |
| 441 | I | 97.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | -43.9 | 178.1 | -72.6 | 168.7 | 0 | 0 | 0 | 114 | M437 Y443 L444 P445 | M437-I441 WeakPolarHBondContact O-CG1 3.14Å; M437-I441 PolarHBondContact O-N 3.1Å; I441-Y443 PolarHBondContact O-N 3.36Å; I441-Y443 VanDerWaalsContact O-N 3.09Å; I441-L444 HydrophobicContact CG1-CD1 4.31Å; I441-L444 PolarHBondContact O-N 3.28Å; I441-P445 VanDerWaalsContact O-CD 3.25Å; I441-P445 WeakPolarHBondContact O-CD 3.18Å |
| 442 | P | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 61% | 0.61 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.1 | 178.9 | -25.4 | 36.1 | 0 | 0 | 0 | 115 | G439 M440 | G439-P442 WeakPolarHBondContact O-CD 3.46Å; M440-P442 VanDerWaalsContact C-N 3.29Å; M440-P442 VanDerWaalsContact O-N 3.09Å |
| 443 | Y | 97.9 | Very high | 96.8 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -21.7 | -177.2 | -52.2 | -77.3 | 0 | 0 | 0 | 112.8 | L407 G439 M440 I441 P445 E446 L447 | L407-Y443 HydrophobicContact CD1-CE2 3.95Å; L407-Y443 HydrophobicContact CD2-CD2 4.32Å; L407-Y443 HydrophobicContact CD2-CE2 4.14Å; G439-Y443 WeakPolarHBondContact O-CE2 3.38Å; M440-Y443 PolarHBondContact O-N 2.96Å; M440-Y443 HydrophobicContact SD-CD2 4.29Å; I441-Y443 PolarHBondContact O-N 3.36Å; I441-Y443 VanDerWaalsContact O-N 3.09Å; Y443-P445 VanDerWaalsContact C-CD 3.42Å; Y443-E446 PolarHBondContact O-N 2.83Å; Y443-L447 WeakPolarHBondContact O-CG 3.47Å; Y443-L447 PolarHBondContact O-N 2.75Å |
| 444 | L | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -36.7 | -178.3 | -61 | -176.2 | 0 | 0 | 0 | 114.9 | M437 M440 I441 E446 L447 I448 Y473 W476 | M437-L444 HydrophobicContact SD-CD1 4.22Å; M440-L444 PolarHBondContact O-N 2.78Å; I441-L444 HydrophobicContact CG1-CD1 4.31Å; I441-L444 PolarHBondContact O-N 3.28Å; L444-E446 PolarHBondContact O-N 2.91Å; L444-E446 VanDerWaalsContact O-N 3.11Å; L444-L447 PolarHBondContact O-N 3Å; L444-I448 HydrophobicContact CB-CG1 4.14Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.41Å; L444-I448 WeakPolarHBondContact O-CB 3.38Å; L444-I448 WeakPolarHBondContact O-CG1 3.1Å; L444-I448 PolarHBondContact O-N 3.12Å; L444-Y473 HydrophobicContact CD1-CD1 3.8Å; L444-Y473 HydrophobicContact CD1-CE1 4.25Å; L444-Y473 HydrophobicContact CD2-CD1 3.65Å; L444-Y473 HydrophobicContact CD2-CE1 3.64Å; L444-Y473 HydrophobicContact CD2-CG 4.24Å; L444-Y473 HydrophobicContact CG-CD1 4.4Å; L444-W476 HydrophobicContact CB-CD2 3.99Å; L444-W476 HydrophobicContact CB-CE3 3.99Å; L444-W476 HydrophobicContact CB-CH2 3.75Å; L444-W476 HydrophobicContact CB-CZ2 3.73Å; L444-W476 HydrophobicContact CB-CZ3 3.9Å; L444-W476 HydrophobicContact CD1-CB 4.04Å; L444-W476 HydrophobicContact CD1-CD2 3.53Å; L444-W476 HydrophobicContact CD1-CE3 4.05Å; L444-W476 HydrophobicContact CD1-CG 3.51Å; L444-W476 HydrophobicContact CG-CD2 4.41Å |
| 445 | P | 98.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -24.4 | 175.4 | -27.9 | 36.2 | 0 | 0 | 0 | 114.8 | I441 Y443 P449 W476 | I441-P445 VanDerWaalsContact O-CD 3.25Å; I441-P445 WeakPolarHBondContact O-CD 3.18Å; Y443-P445 VanDerWaalsContact C-CD 3.42Å; P445-P449 WeakPolarHBondContact O-CD 3.45Å; P445-P449 WeakPolarHBondContact O-CG 3.31Å; P445-W476 HydrophobicContact CG-CH2 4.25Å; P445-W476 HydrophobicContact CG-CZ2 4.09Å |
| 446 | E | 97.5 | Very high | 97.6 | Very high | 144 Ų | 144 | 47.3 Ų | 47.3 | 67% | 0.673 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -96 | -41.8 | 174.4 | -174.2 | 176.5 | 178.6 | 0 | 0 | 111.5 | Y443 L444 H450 | Y443-E446 PolarHBondContact O-N 2.83Å; L444-E446 PolarHBondContact O-N 2.91Å; L444-E446 VanDerWaalsContact O-N 3.11Å; E446-H450 PolarHBondContact O-N 2.94Å |
| 447 | L | 98.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.4 | -43 | -174.9 | -65.9 | 175.1 | 0 | 0 | 0 | 113 | L414 L429 M440 Y443 L444 H450 L451 | L414-L447 HydrophobicContact CD1-CD2 3.83Å; L429-L447 HydrophobicContact CD1-CD1 4Å; L429-L447 HydrophobicContact CD2-CD1 4.36Å; M440-L447 HydrophobicContact CE-CD1 3.64Å; Y443-L447 WeakPolarHBondContact O-CG 3.47Å; Y443-L447 PolarHBondContact O-N 2.75Å; L444-L447 PolarHBondContact O-N 3Å; L447-H450 WeakPolarHBondContact O-CB 3.36Å; L447-H450 PolarHBondContact O-N 3.04Å; L447-H450 VanDerWaalsContact O-N 3.15Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.04Å |
| 448 | I | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | -177.1 | -63.7 | -63.1 | 0 | 0 | 0 | 111.7 | L444 H450 L451 I452 L470 Y473 W476 V477 Y485 | L444-I448 HydrophobicContact CB-CG1 4.14Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.41Å; L444-I448 WeakPolarHBondContact O-CB 3.38Å; L444-I448 WeakPolarHBondContact O-CG1 3.1Å; L444-I448 PolarHBondContact O-N 3.12Å; I448-H450 PolarHBondContact O-N 2.79Å; I448-L451 HydrophobicContact CD1-CD1 4.43Å; I448-L451 PolarHBondContact O-N 3.2Å; I448-I452 HydrophobicContact CG2-CD1 4.02Å; I448-I452 HydrophobicContact CG2-CG1 4.5Å; I448-I452 WeakPolarHBondContact O-CG1 3.42Å; I448-I452 PolarHBondContact O-N 3.3Å; I448-L470 HydrophobicContact CD1-CD2 4.07Å; I448-L470 HydrophobicContact CG2-CD2 4.26Å; I448-Y473 HydrophobicContact CD1-CG 4.31Å; I448-W476 HydrophobicContact CB-CZ3 4.15Å; I448-W476 HydrophobicContact CG1-CE3 3.98Å; I448-W476 HydrophobicContact CG1-CZ3 3.67Å; I448-W476 HydrophobicContact CG2-CZ3 4.49Å; I448-V477 HydrophobicContact CD1-CG2 4.42Å; I448-V477 HydrophobicContact CG1-CG2 4.49Å; I448-V477 HydrophobicContact CG2-CG2 3.99Å; I448-Y485 HydrophobicContact CG2-CD1 4.18Å |
| 449 | P | 98.4 | Very high | 97.4 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | 172.8 | -27.6 | 37.3 | 0 | 0 | 0 | 113.7 | P445 Q453 Y485 | P445-P449 WeakPolarHBondContact O-CD 3.45Å; P445-P449 WeakPolarHBondContact O-CG 3.31Å; P449-Q453 WeakPolarHBondContact O-CG 3.44Å; P449-Q453 PolarHBondContact O-N 2.95Å; P449-Y485 HydrophobicContact CG-CD1 4.09Å; P449-Y485 HydrophobicContact CG-CE1 3.69Å |
| 450 | H | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -46.1 | 175.7 | 178.5 | 57.2 | 0 | 0 | 0 | 111.8 | F415 E446 L447 I448 I452 Q453 C454 | F415-H450 AromaticContact CD1-CE1 3.74Å; F415-H450 AromaticContact CD1-NE2 3.72Å; F415-H450 AromaticContact CE1-CD2 3.66Å; F415-H450 AromaticContact CE1-CE1 3.5Å; F415-H450 AromaticContact CE1-CG 3.84Å; F415-H450 AromaticContact CE1-ND1 3.74Å; F415-H450 AromaticContact CE1-NE2 3.43Å; F415-H450 WeakPolarHBondContact CE1-NE2 3.48Å; E446-H450 PolarHBondContact O-N 2.94Å; L447-H450 WeakPolarHBondContact O-CB 3.36Å; L447-H450 PolarHBondContact O-N 3.04Å; L447-H450 VanDerWaalsContact O-N 3.15Å; I448-H450 PolarHBondContact O-N 2.79Å; H450-I452 VanDerWaalsContact C-N 3.34Å; H450-I452 PolarHBondContact O-N 3.48Å; H450-Q453 WeakPolarHBondContact O-CA 3.45Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.4Å; H450-Q453 PolarHBondContact O-N 2.61Å; H450-C454 PolarHBondContact O-N 3.27Å; H450-C454 VanDerWaalsContact O-N 3.09Å |
| 451 | L | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.5 | -69.7 | 177.2 | 0 | 0 | 0 | 111.9 | I426 L429 L447 I448 Q453 C454 L455 T466 T469 L470 | I426-L451 HydrophobicContact CG1-CD2 4.12Å; I426-L451 HydrophobicContact CG2-CD2 3.98Å; L429-L451 HydrophobicContact CD2-CD1 3.85Å; L429-L451 HydrophobicContact CD2-CD2 4.32Å; L429-L451 HydrophobicContact CD2-CG 4.37Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 3.04Å; I448-L451 HydrophobicContact CD1-CD1 4.43Å; I448-L451 PolarHBondContact O-N 3.2Å; L451-Q453 PolarHBondContact O-N 3.22Å; L451-C454 WeakPolarHBondContact O-CA 3.49Å; L451-C454 VanDerWaalsContact O-CB 3.32Å; L451-C454 WeakPolarHBondContact O-CB 3.33Å; L451-C454 PolarHBondContact O-N 2.71Å; L451-L455 PolarHBondContact O-N 2.78Å; L451-L455 VanDerWaalsContact O-N 3.13Å; L451-T466 HydrophobicContact CB-CG2 4.16Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.15Å; L451-T469 HydrophobicContact CD1-CG2 3.87Å; L451-L470 HydrophobicContact CB-CD1 4.12Å; L451-L470 HydrophobicContact CB-CD2 3.64Å; L451-L470 HydrophobicContact CB-CG 3.87Å; L451-L470 HydrophobicContact CD1-CD2 4.03Å; L451-L470 HydrophobicContact CD1-CG 4.25Å |
| 452 | I | 98.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -35.4 | 173.4 | -67.5 | 167.8 | 0 | 0 | 0 | 111 | I448 H450 L455 L470 P488 L489 E492 | I448-I452 HydrophobicContact CG2-CD1 4.02Å; I448-I452 HydrophobicContact CG2-CG1 4.5Å; I448-I452 WeakPolarHBondContact O-CG1 3.42Å; I448-I452 PolarHBondContact O-N 3.3Å; H450-I452 VanDerWaalsContact C-N 3.34Å; H450-I452 PolarHBondContact O-N 3.48Å; I452-L455 WeakPolarHBondContact O-CB 3.18Å; I452-L455 PolarHBondContact O-N 3.02Å; I452-L470 HydrophobicContact CG1-CD2 4.37Å; I452-P488 HydrophobicContact CD1-CG 4.48Å; I452-L489 HydrophobicContact CD1-CB 4.03Å; I452-L489 HydrophobicContact CG1-CB 4.34Å; I452-L489 HydrophobicContact CG1-CD1 4.16Å; I452-E492 HydrophobicContact CG2-CB 4.33Å; I452-E492 HydrophobicContact CG2-CG 3.91Å |
| 453 | Q | 98.1 | Very high | 96.9 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 64% | 0.64 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -69.1 | -36.6 | 172.8 | -65.2 | 172.4 | 3.9 | 0 | 0 | 112.3 | P449 H450 L451 L455 S456 | P449-Q453 WeakPolarHBondContact O-CG 3.44Å; P449-Q453 PolarHBondContact O-N 2.95Å; H450-Q453 WeakPolarHBondContact O-CA 3.45Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.4Å; H450-Q453 PolarHBondContact O-N 2.61Å; L451-Q453 PolarHBondContact O-N 3.22Å; Q453-L455 PolarHBondContact O-N 3.19Å; Q453-S456 PolarHBondContact O-N 3.06Å |
| 454 | C | 98.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 39 Ų | 39 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -22.9 | 177.1 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | I426 H450 L451 S456 D457 T466 | I426-C454 HydrophobicContact CD1-CB 4.45Å; H450-C454 PolarHBondContact O-N 3.27Å; H450-C454 VanDerWaalsContact O-N 3.09Å; L451-C454 WeakPolarHBondContact O-CA 3.49Å; L451-C454 VanDerWaalsContact O-CB 3.32Å; L451-C454 WeakPolarHBondContact O-CB 3.33Å; L451-C454 PolarHBondContact O-N 2.71Å; C454-S456 PolarHBondContact O-N 3.29Å; C454-S456 VanDerWaalsContact O-N 3.11Å; C454-D457 VanDerWaalsContact O-CB 3.29Å; C454-D457 WeakPolarHBondContact O-CB 3.22Å; C454-D457 PolarHBondContact O-N 3.43Å; C454-T466 HydrophobicContact CB-CG2 3.74Å |
| 455 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.6 | 169.7 | -68.2 | 175.7 | 0 | 0 | 0 | 112.5 | L451 I452 Q453 R463 T466 C467 L470 L489 E492 L493 R496 | L451-L455 PolarHBondContact O-N 2.78Å; L451-L455 VanDerWaalsContact O-N 3.13Å; I452-L455 WeakPolarHBondContact O-CB 3.18Å; I452-L455 PolarHBondContact O-N 3.02Å; Q453-L455 PolarHBondContact O-N 3.19Å; L455-R463 WeakPolarHBondContact O-CD 3.49Å; L455-R463 WeakPolarHBondContact O-CG 3.43Å; L455-T466 HydrophobicContact CD2-CG2 3.73Å; L455-T466 HydrophobicContact CG-CG2 3.89Å; L455-C467 HydrophobicContact CD2-CB 4.46Å; L455-C467 WeakPolarHBondContact CD2-SG 3.44Å; L455-L470 HydrophobicContact CD1-CD1 3.69Å; L455-L470 HydrophobicContact CD2-CD1 3.95Å; L455-L470 HydrophobicContact CG-CD1 3.76Å; L455-L489 HydrophobicContact CD1-CD1 4.32Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.7Å; L455-L493 HydrophobicContact CD1-CD2 4.46Å; L455-L493 HydrophobicContact CD1-CG 4.32Å; L455-L493 HydrophobicContact CD2-CD2 4.36Å; L455-R496 HydrophobicContact CB-CG 4.25Å; L455-R496 HydrophobicContact CD2-CG 4.26Å; L455-R496 WeakPolarHBondContact O-CD 3.26Å |
| 456 | S | 96.8 | Very high | 96.7 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 15.4 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | Q453 C454 | Q453-S456 PolarHBondContact O-N 3.06Å; C454-S456 PolarHBondContact O-N 3.29Å; C454-S456 VanDerWaalsContact O-N 3.11Å |
| 457 | D | 96.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | trans | -63.9 | 147 | 176 | -162.9 | -64.1 | 0 | 0 | 0 | 110.7 | K422 C454 K459 V462 R463 | K422-D457 IonicContact NZ-OD2 3.69Å; K422-D457 PolarHBondContact NZ-OD2 3.06Å; C454-D457 VanDerWaalsContact O-CB 3.29Å; C454-D457 WeakPolarHBondContact O-CB 3.22Å; C454-D457 PolarHBondContact O-N 3.43Å; D457-K459 PolarHBondContact O-N 3.3Å; D457-K459 PolarHBondContact OD1-N 3.43Å; D457-V462 HydrophobicContact CB-CB 4.18Å; D457-V462 HydrophobicContact CB-CG1 3.81Å; D457-R463 WeakPolarHBondContact O-CD 3.37Å; D457-R463 VanDerWaalsContact O-CG 3.28Å; D457-R463 WeakPolarHBondContact O-CG 3.44Å; D457-R463 PolarHBondContact O-NH1 3.33Å | ||
| 458 | K | 93.1 | Very high | 96.6 | Very high | 174 Ų | 174 | 32.9 Ų | 32.9 | 76% | 0.757 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -67 | -15.2 | 179.9 | 64.3 | -179.6 | 178.2 | -179.3 | 0 | 113.6 | E331 | E331-K458 VanDerWaalsContact OE1-O 3.04Š|
| 459 | K | 93.7 | Very high | 96.6 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | trans | -100.4 | 118.4 | -179.5 | -77.7 | -64.8 | -172 | 179.1 | 0 | 111.5 | G328 D329 E331 W419 D457 L461 V462 R463 | G328-K459 PolarHBondContact O-NZ 3.07Å; D329-K459 IonicContact OD1-NZ 3.11Å; D329-K459 PolarHBondContact OD1-NZ 3.12Å; E331-K459 WeakPolarHBondContact OE1-CA 3.4Å; W419-K459 HydrophobicContact CB-CB 4.45Å; W419-K459 HydrophobicContact CB-CG 4.01Å; W419-K459 HydrophobicContact CD2-CG 4.34Å; W419-K459 HydrophobicContact CG-CD 4.41Å; W419-K459 HydrophobicContact CG-CG 3.91Å; D457-K459 PolarHBondContact O-N 3.3Å; D457-K459 PolarHBondContact OD1-N 3.43Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 3.45Å; K459-V462 HydrophobicContact CB-CB 4.25Å; K459-V462 HydrophobicContact CB-CG2 3.87Å; K459-V462 WeakPolarHBondContact O-CB 3.42Å; K459-V462 PolarHBondContact O-N 3.24Å; K459-R463 PolarHBondContact O-N 3.26Å; K459-R463 VanDerWaalsContact O-N 3.12Å | ||
| 460 | A | 92.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53 | -44.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E331 V462 R463 S464 N501 V504 | E331-A460 PolarHBondContact OE1-N 2.93Å; E331-A460 PolarHBondContact OE2-N 2.87Å; A460-V462 VanDerWaalsContact C-N 3.28Å; A460-V462 PolarHBondContact O-N 2.78Å; A460-R463 WeakPolarHBondContact O-CB 3.11Å; A460-R463 PolarHBondContact O-N 3.36Å; A460-R463 VanDerWaalsContact O-N 3.09Å; A460-S464 PolarHBondContact O-N 3.43Å; A460-S464 PolarHBondContact O-OG 3.17Å; A460-N501 HydrophobicContact CB-CB 3.98Å; A460-V504 HydrophobicContact CB-CG2 3.82Å; A460-V504 VanDerWaalsContact O-CG2 3.3Å; A460-V504 WeakPolarHBondContact O-CG2 3.17Å |
| 461 | L | 92.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -29.7 | 179.2 | -66.4 | 174 | 0 | 0 | 0 | 113.4 | Y318 L326 W419 K459 S464 I465 | Y318-L461 HydrophobicContact CE2-CD1 4.31Å; L326-L461 HydrophobicContact CD1-CD2 4.47Å; W419-L461 HydrophobicContact CE3-CB 4.42Å; W419-L461 HydrophobicContact CH2-CB 4.43Å; W419-L461 HydrophobicContact CH2-CD1 3.46Å; W419-L461 VanDerWaalsContact CH2-CD1 3.46Å; W419-L461 HydrophobicContact CZ2-CD1 4.49Å; W419-L461 HydrophobicContact CZ3-CB 3.77Å; W419-L461 HydrophobicContact CZ3-CD1 3.67Å; W419-L461 HydrophobicContact CZ3-CG 4.36Å; K459-L461 VanDerWaalsContact C-N 3.3Å; K459-L461 PolarHBondContact O-N 3.45Å; L461-S464 WeakPolarHBondContact CA-OG 3.46Å; L461-S464 PolarHBondContact O-OG 3.24Å; L461-I465 WeakPolarHBondContact O-CG2 3.27Å; L461-I465 PolarHBondContact O-N 3.1Å |
| 462 | V | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.7 | -44.1 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | W419 K422 E423 I426 D457 K459 A460 S464 I465 T466 | W419-V462 HydrophobicContact CB-CG2 3.99Å; W419-V462 HydrophobicContact CE3-CG2 4.2Å; K422-V462 HydrophobicContact CD-CG1 4.4Å; E423-V462 HydrophobicContact CB-CG2 4.16Å; E423-V462 HydrophobicContact CG-CG2 4.46Å; I426-V462 HydrophobicContact CD1-CG1 3.95Å; D457-V462 HydrophobicContact CB-CB 4.18Å; D457-V462 HydrophobicContact CB-CG1 3.81Å; K459-V462 HydrophobicContact CB-CB 4.25Å; K459-V462 HydrophobicContact CB-CG2 3.87Å; K459-V462 WeakPolarHBondContact O-CB 3.42Å; K459-V462 PolarHBondContact O-N 3.24Å; A460-V462 VanDerWaalsContact C-N 3.28Å; A460-V462 PolarHBondContact O-N 2.78Å; V462-S464 PolarHBondContact O-N 3.11Å; V462-I465 WeakPolarHBondContact O-CG2 3.43Å; V462-T466 VanDerWaalsContact O-CB 3.3Å; V462-T466 WeakPolarHBondContact O-CB 3.41Å; V462-T466 PolarHBondContact O-N 3.33Å; V462-T466 PolarHBondContact O-OG1 3.38Å |
| 463 | R | 97.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 178.2 | -60.7 | -164.3 | -64.4 | -79.3 | 3.3 | 111.4 | E331 L455 D457 K459 A460 T466 C467 D499 V504 | E331-R463 IonicContact OE2-CZ 3.8Å; E331-R463 IonicContact OE2-NH1 3.08Å; E331-R463 PolarHBondContact OE2-NH1 3.23Å; E331-R463 IonicContact OE2-NH2 3.84Å; E331-R463 PolarHBondContact OE2-NH2 2.83Å; L455-R463 WeakPolarHBondContact O-CD 3.49Å; L455-R463 WeakPolarHBondContact O-CG 3.43Å; D457-R463 WeakPolarHBondContact O-CD 3.37Å; D457-R463 VanDerWaalsContact O-CG 3.28Å; D457-R463 WeakPolarHBondContact O-CG 3.44Å; D457-R463 PolarHBondContact O-NH1 3.33Å; K459-R463 PolarHBondContact O-N 3.26Å; K459-R463 VanDerWaalsContact O-N 3.12Å; A460-R463 WeakPolarHBondContact O-CB 3.11Å; A460-R463 PolarHBondContact O-N 3.36Å; A460-R463 VanDerWaalsContact O-N 3.09Å; R463-T466 WeakPolarHBondContact O-CB 3.49Å; R463-T466 PolarHBondContact O-N 3.29Å; R463-C467 PolarHBondContact O-N 3.06Å; R463-C467 PolarHBondContact O-SG 3.02Å; R463-D499 IonicContact CZ-OD1 2.72Å; R463-D499 IonicContact CZ-OD2 3.51Å; R463-D499 IonicContact NE-OD1 3.53Å; R463-D499 IonicContact NE-OD2 3.77Å; R463-D499 PolarHBondContact NE-OD2 3.16Å; R463-D499 IonicContact NH2-OD1 2.9Å; R463-D499 PolarHBondContact NH2-OD1 2.92Å; R463-D499 IonicContact NH2-OD2 3.2Å; R463-D499 PolarHBondContact NH2-OD2 2.75Å; R463-V504 HydrophobicContact CB-CG1 3.93Å; R463-V504 HydrophobicContact CB-CG2 4.03Å |
| 464 | S | 94.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -50.1 | -179.1 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | A460 L461 V462 T466 C467 W468 | A460-S464 PolarHBondContact O-N 3.43Å; A460-S464 PolarHBondContact O-OG 3.17Å; L461-S464 WeakPolarHBondContact CA-OG 3.46Å; L461-S464 PolarHBondContact O-OG 3.24Å; V462-S464 PolarHBondContact O-N 3.11Å; S464-T466 PolarHBondContact O-N 3.38Å; S464-C467 WeakPolarHBondContact O-CB 3.48Å; S464-C467 PolarHBondContact O-N 3.37Å; S464-C467 VanDerWaalsContact O-N 3.13Å; S464-W468 PolarHBondContact O-N 2.91Å |
| 465 | I | 95.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.2 | -28.3 | 179.7 | -167 | 59.2 | 0 | 0 | 0 | 112.3 | E423 I426 L427 L461 V462 W468 T469 | E423-I465 HydrophobicContact CG-CG2 3.75Å; E423-I465 WeakPolarHBondContact OE1-CB 3.16Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.41Å; I426-I465 HydrophobicContact CB-CG2 4.04Å; I426-I465 HydrophobicContact CG2-CG1 4.21Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; L427-I465 HydrophobicContact CB-CD1 4.02Å; L427-I465 HydrophobicContact CB-CG1 3.93Å; L427-I465 HydrophobicContact CD1-CD1 3.66Å; L427-I465 HydrophobicContact CG-CD1 4.39Å; L461-I465 WeakPolarHBondContact O-CG2 3.27Å; L461-I465 PolarHBondContact O-N 3.1Å; V462-I465 WeakPolarHBondContact O-CG2 3.43Å; I465-W468 HydrophobicContact CD1-CD2 4.31Å; I465-W468 HydrophobicContact CD1-CE3 3.6Å; I465-W468 HydrophobicContact CD1-CZ3 4.2Å; I465-T469 WeakPolarHBondContact O-CB 3.45Å; I465-T469 PolarHBondContact O-N 3.19Å; I465-T469 PolarHBondContact O-OG1 3.32Å |
| 466 | T | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -38.3 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | L451 C454 L455 V462 R463 S464 T469 L470 | L451-T466 HydrophobicContact CB-CG2 4.16Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.15Å; C454-T466 HydrophobicContact CB-CG2 3.74Å; L455-T466 HydrophobicContact CD2-CG2 3.73Å; L455-T466 HydrophobicContact CG-CG2 3.89Å; V462-T466 VanDerWaalsContact O-CB 3.3Å; V462-T466 WeakPolarHBondContact O-CB 3.41Å; V462-T466 PolarHBondContact O-N 3.33Å; V462-T466 PolarHBondContact O-OG1 3.38Å; R463-T466 WeakPolarHBondContact O-CB 3.49Å; R463-T466 PolarHBondContact O-N 3.29Å; S464-T466 PolarHBondContact O-N 3.38Å; T466-T469 PolarHBondContact O-N 3.11Å; T466-L470 HydrophobicContact CG2-CD1 3.79Å; T466-L470 HydrophobicContact CG2-CG 4.43Å; T466-L470 WeakPolarHBondContact O-CB 3.33Å; T466-L470 WeakPolarHBondContact O-CD1 3.25Å; T466-L470 WeakPolarHBondContact O-CG 3.36Å; T466-L470 PolarHBondContact O-N 3.08Å |
| 467 | C | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -53.6 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | L455 R463 S464 T469 L470 S471 L493 A507 A511 | L455-C467 HydrophobicContact CD2-CB 4.46Å; L455-C467 WeakPolarHBondContact CD2-SG 3.44Å; R463-C467 PolarHBondContact O-N 3.06Å; R463-C467 PolarHBondContact O-SG 3.02Å; S464-C467 WeakPolarHBondContact O-CB 3.48Å; S464-C467 PolarHBondContact O-N 3.37Å; S464-C467 VanDerWaalsContact O-N 3.13Å; C467-T469 PolarHBondContact O-N 3.48Å; C467-L470 PolarHBondContact O-N 3.05Å; C467-S471 PolarHBondContact O-N 3.21Å; C467-S471 VanDerWaalsContact O-N 3.1Å; C467-L493 HydrophobicContact CB-CD2 4.16Å; C467-A507 HydrophobicContact CB-CB 4.17Å; C467-A507 WeakPolarHBondContact CB-O 3.38Å; C467-A511 HydrophobicContact CB-CB 3.86Å; C467-A511 VanDerWaalsContact O-CB 3.26Å; C467-A511 WeakPolarHBondContact O-CB 3.43Å |
| 468 | W | 96.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 28.3 Ų | 28.3 | 31% | 0.311 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 178 | 178.4 | 83.4 | 0 | 0 | 0 | 112.8 | L427 S464 I465 L470 S471 R472 | L427-W468 HydrophobicContact CD1-CE3 4.43Å; L427-W468 HydrophobicContact CD1-CH2 4.23Å; L427-W468 HydrophobicContact CD1-CZ3 3.8Å; S464-W468 PolarHBondContact O-N 2.91Å; I465-W468 HydrophobicContact CD1-CD2 4.31Å; I465-W468 HydrophobicContact CD1-CE3 3.6Å; I465-W468 HydrophobicContact CD1-CZ3 4.2Å; W468-L470 VanDerWaalsContact C-N 3.31Å; W468-L470 PolarHBondContact O-N 2.8Å; W468-S471 PolarHBondContact O-N 3.47Å; W468-S471 PolarHBondContact O-OG 3.02Å; W468-R472 HydrophobicContact CD2-CG 4.38Å; W468-R472 HydrophobicContact CH2-CG 4.41Å; W468-R472 HydrophobicContact CZ2-CG 4.15Å; W468-R472 WeakPolarHBondContact O-CG 3.46Å; W468-R472 PolarHBondContact O-N 3.11Å |
| 469 | T | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | I426 L429 L451 I465 T466 C467 Y473 | I426-T469 HydrophobicContact CG2-CG2 4.09Å; I426-T469 VanDerWaalsContact CG2-OG1 3.28Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.44Å; I426-T469 PolarHBondContact O-OG1 3.26Å; I426-T469 VanDerWaalsContact O-OG1 3.1Å; L429-T469 HydrophobicContact CB-CG2 4.22Å; L429-T469 HydrophobicContact CD2-CG2 4.31Å; L429-T469 HydrophobicContact CG-CG2 4.1Å; L451-T469 HydrophobicContact CD1-CG2 3.87Å; I465-T469 WeakPolarHBondContact O-CB 3.45Å; I465-T469 PolarHBondContact O-N 3.19Å; I465-T469 PolarHBondContact O-OG1 3.32Å; T466-T469 PolarHBondContact O-N 3.11Å; C467-T469 PolarHBondContact O-N 3.48Å; T469-Y473 HydrophobicContact CG2-CE2 4.45Å; T469-Y473 WeakPolarHBondContact O-CD2 3.49Å |
| 470 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 176.4 | -79.5 | 162.9 | 0 | 0 | 0 | 112.2 | I448 L451 I452 L455 T466 C467 W468 R472 Y473 A474 L489 | I448-L470 HydrophobicContact CD1-CD2 4.07Å; I448-L470 HydrophobicContact CG2-CD2 4.26Å; L451-L470 HydrophobicContact CB-CD1 4.12Å; L451-L470 HydrophobicContact CB-CD2 3.64Å; L451-L470 HydrophobicContact CB-CG 3.87Å; L451-L470 HydrophobicContact CD1-CD2 4.03Å; L451-L470 HydrophobicContact CD1-CG 4.25Å; I452-L470 HydrophobicContact CG1-CD2 4.37Å; L455-L470 HydrophobicContact CD1-CD1 3.69Å; L455-L470 HydrophobicContact CD2-CD1 3.95Å; L455-L470 HydrophobicContact CG-CD1 3.76Å; T466-L470 HydrophobicContact CG2-CD1 3.79Å; T466-L470 HydrophobicContact CG2-CG 4.43Å; T466-L470 WeakPolarHBondContact O-CB 3.33Å; T466-L470 WeakPolarHBondContact O-CD1 3.25Å; T466-L470 WeakPolarHBondContact O-CG 3.36Å; T466-L470 PolarHBondContact O-N 3.08Å; C467-L470 PolarHBondContact O-N 3.05Å; W468-L470 VanDerWaalsContact C-N 3.31Å; W468-L470 PolarHBondContact O-N 2.8Å; L470-R472 VanDerWaalsContact C-N 3.34Å; L470-Y473 CarbonylContact O-C 3.6Å; L470-Y473 PolarHBondContact O-N 3.29Å; L470-A474 PolarHBondContact O-N 3.16Å; L470-L489 HydrophobicContact CB-CD1 4.03Å; L470-L489 HydrophobicContact CD1-CD1 3.64Å; L470-L489 HydrophobicContact CD2-CD1 4.02Å; L470-L489 HydrophobicContact CG-CD1 4.11Å |
| 471 | S | 95.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 11% | 0.105 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | C467 W468 Y473 A474 | C467-S471 PolarHBondContact O-N 3.21Å; C467-S471 VanDerWaalsContact O-N 3.1Å; W468-S471 PolarHBondContact O-N 3.47Å; W468-S471 PolarHBondContact O-OG 3.02Å; S471-Y473 PolarHBondContact O-N 3.11Å; S471-A474 WeakPolarHBondContact O-CB 3.42Å; S471-A474 PolarHBondContact O-N 2.96Å |
| 472 | R | 95.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 30 Ų | 30 | 30% | 0.302 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -11.8 | 173.5 | -62.2 | -70.1 | -79.8 | 166.1 | -2.3 | 114.4 | D392 A433 E434 W468 L470 | D392-R472 IonicContact OD2-NH2 2.66Å; D392-R472 PolarHBondContact OD2-NH2 2.94Å; A433-R472 HydrophobicContact CB-CB 3.85Å; E434-R472 IonicContact OE2-CZ 2.79Å; E434-R472 IonicContact OE2-NH1 3.66Å; E434-R472 IonicContact OE2-NH2 2.66Å; E434-R472 PolarHBondContact OE2-NH2 3.26Å; W468-R472 HydrophobicContact CD2-CG 4.38Å; W468-R472 HydrophobicContact CH2-CG 4.41Å; W468-R472 HydrophobicContact CZ2-CG 4.15Å; W468-R472 WeakPolarHBondContact O-CG 3.46Å; W468-R472 PolarHBondContact O-N 3.11Å; L470-R472 VanDerWaalsContact C-N 3.34Å |
| 473 | Y | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 16 | 172.8 | -65.8 | -83.1 | 0 | 0 | 0 | 112.7 | L429 A433 M437 M440 L444 I448 T469 L470 S471 H475 W476 V477 | L429-Y473 HydrophobicContact CD1-CE2 4.37Å; L429-Y473 HydrophobicContact CG-CE2 4.18Å; L429-Y473 WeakPolarHBondContact O-CE2 3.35Å; L429-Y473 PolarHBondContact O-OH 3.15Å; A433-Y473 WeakPolarHBondContact CA-OH 3.46Å; A433-Y473 HydrophobicContact CB-CD1 4.42Å; A433-Y473 HydrophobicContact CB-CD2 4.27Å; A433-Y473 HydrophobicContact CB-CE1 3.82Å; A433-Y473 HydrophobicContact CB-CE2 3.65Å; M437-Y473 HydrophobicContact CE-CD1 3.45Å; M437-Y473 VanDerWaalsContact CE-CD1 3.45Å; M437-Y473 HydrophobicContact CE-CE1 3.75Å; M437-Y473 HydrophobicContact CE-CG 4.37Å; M437-Y473 HydrophobicContact SD-CD1 3.69Å; M437-Y473 HydrophobicContact SD-CE1 3.86Å; M440-Y473 HydrophobicContact CB-CE1 4.49Å; L444-Y473 HydrophobicContact CD1-CD1 3.8Å; L444-Y473 HydrophobicContact CD1-CE1 4.25Å; L444-Y473 HydrophobicContact CD2-CD1 3.65Å; L444-Y473 HydrophobicContact CD2-CE1 3.64Å; L444-Y473 HydrophobicContact CD2-CG 4.24Å; L444-Y473 HydrophobicContact CG-CD1 4.4Å; I448-Y473 HydrophobicContact CD1-CG 4.31Å; T469-Y473 HydrophobicContact CG2-CE2 4.45Å; T469-Y473 WeakPolarHBondContact O-CD2 3.49Å; L470-Y473 CarbonylContact O-C 3.6Å; L470-Y473 PolarHBondContact O-N 3.29Å; S471-Y473 PolarHBondContact O-N 3.11Å; Y473-H475 PolarHBondContact O-N 3.24Å; Y473-W476 PolarHBondContact O-N 3.2Å; Y473-V477 WeakPolarHBondContact O-CG2 3.37Å; Y473-V477 PolarHBondContact O-N 3.22Å; Y473-V477 VanDerWaalsContact O-N 3.11Å |
| 474 | A | 94.8 | Very high | 96 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L470 S471 W476 V477 V478 L515 E518 | L470-A474 PolarHBondContact O-N 3.16Å; S471-A474 WeakPolarHBondContact O-CB 3.42Å; S471-A474 PolarHBondContact O-N 2.96Å; A474-W476 VanDerWaalsContact C-N 3.31Å; A474-W476 PolarHBondContact O-N 3Å; A474-V477 WeakPolarHBondContact O-CA 3.2Å; A474-V477 WeakPolarHBondContact O-CB 3.48Å; A474-V477 PolarHBondContact O-N 2.67Å; A474-V478 WeakPolarHBondContact O-CG2 3.46Å; A474-V478 PolarHBondContact O-N 2.71Å; A474-L515 HydrophobicContact CB-CD1 4Å; A474-E518 HydrophobicContact CB-CB 4.29Å; A474-E518 HydrophobicContact CB-CG 3.97Å |
| 475 | H | 93 | Very high | 96.2 | Very high | 110 Ų | 110 | 39.5 Ų | 39.5 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -49.7 | -50.2 | 175 | -172.4 | 74 | 0 | 0 | 0 | 112.7 | Y473 V477 V478 S479 E518 | Y473-H475 PolarHBondContact O-N 3.24Å; H475-V477 VanDerWaalsContact C-N 3.34Å; H475-V477 PolarHBondContact O-N 2.82Å; H475-V478 PolarHBondContact O-N 2.98Å; H475-S479 PolarHBondContact O-N 2.9Å; H475-E518 WeakPolarHBondContact CA-OE2 3.46Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CG-OE2 3.73Å; H475-E518 IonicContact ND1-OE1 3.2Å; H475-E518 IonicContact ND1-OE2 3.43Å; H475-E518 PolarHBondContact ND1-OE2 3.24Å |
| 476 | W | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.3 | -178.7 | 83.8 | 0 | 0 | 0 | 111 | L444 P445 I448 Y473 A474 V478 S479 Q480 Y485 | L444-W476 HydrophobicContact CB-CD2 3.99Å; L444-W476 HydrophobicContact CB-CE3 3.99Å; L444-W476 HydrophobicContact CB-CH2 3.75Å; L444-W476 HydrophobicContact CB-CZ2 3.73Å; L444-W476 HydrophobicContact CB-CZ3 3.9Å; L444-W476 HydrophobicContact CD1-CB 4.04Å; L444-W476 HydrophobicContact CD1-CD2 3.53Å; L444-W476 HydrophobicContact CD1-CE3 4.05Å; L444-W476 HydrophobicContact CD1-CG 3.51Å; L444-W476 HydrophobicContact CG-CD2 4.41Å; P445-W476 HydrophobicContact CG-CH2 4.25Å; P445-W476 HydrophobicContact CG-CZ2 4.09Å; I448-W476 HydrophobicContact CB-CZ3 4.15Å; I448-W476 HydrophobicContact CG1-CE3 3.98Å; I448-W476 HydrophobicContact CG1-CZ3 3.67Å; I448-W476 HydrophobicContact CG2-CZ3 4.49Å; Y473-W476 PolarHBondContact O-N 3.2Å; A474-W476 VanDerWaalsContact C-N 3.31Å; A474-W476 PolarHBondContact O-N 3Å; W476-V478 PolarHBondContact O-N 3.05Å; W476-S479 PolarHBondContact O-N 2.95Å; W476-S479 PolarHBondContact O-OG 3.47Å; W476-Q480 HydrophobicContact CD2-CG 4.23Å; W476-Q480 HydrophobicContact CE3-CG 4.35Å; W476-Q480 HydrophobicContact CH2-CG 4.1Å; W476-Q480 HydrophobicContact CZ2-CG 3.96Å; W476-Q480 HydrophobicContact CZ3-CG 4.28Å; W476-Q480 WeakPolarHBondContact O-CG 3.45Å; W476-Y485 HydrophobicContact CH2-CD2 4.14Å; W476-Y485 HydrophobicContact CH2-CE1 4.45Å; W476-Y485 AromaticContact CH2-CE2 3.78Å; W476-Y485 HydrophobicContact CH2-CE2 3.78Å; W476-Y485 AromaticContact CH2-CZ 3.95Å; W476-Y485 HydrophobicContact CZ3-CD2 4.12Å; W476-Y485 HydrophobicContact CZ3-CE2 4.23Å; W476-Y485 HydrophobicContact CZ3-CG 4.29Å |
| 477 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | -180 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | I448 Y473 A474 H475 Q480 L486 L489 | I448-V477 HydrophobicContact CD1-CG2 4.42Å; I448-V477 HydrophobicContact CG1-CG2 4.49Å; I448-V477 HydrophobicContact CG2-CG2 3.99Å; Y473-V477 WeakPolarHBondContact O-CG2 3.37Å; Y473-V477 PolarHBondContact O-N 3.22Å; Y473-V477 VanDerWaalsContact O-N 3.11Å; A474-V477 WeakPolarHBondContact O-CA 3.2Å; A474-V477 WeakPolarHBondContact O-CB 3.48Å; A474-V477 PolarHBondContact O-N 2.67Å; H475-V477 VanDerWaalsContact C-N 3.34Å; H475-V477 PolarHBondContact O-N 2.82Å; V477-Q480 PolarHBondContact O-N 2.94Å; V477-L486 HydrophobicContact CG1-CB 4.05Å; V477-L486 HydrophobicContact CG1-CD1 4.45Å; V477-L489 HydrophobicContact CB-CD2 4.33Å; V477-L489 HydrophobicContact CG1-CD2 3.82Å; V477-L489 HydrophobicContact CG2-CD2 4.2Å |
| 478 | V | 94.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -37.4 | 179 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | A474 H475 W476 Q480 L486 L515 E518 A519 | A474-V478 WeakPolarHBondContact O-CG2 3.46Å; A474-V478 PolarHBondContact O-N 2.71Å; H475-V478 PolarHBondContact O-N 2.98Å; W476-V478 PolarHBondContact O-N 3.05Å; V478-Q480 PolarHBondContact O-N 3.46Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; V478-L486 HydrophobicContact CG2-CD1 4.15Å; V478-L515 HydrophobicContact CG2-CD1 4.06Å; V478-E518 HydrophobicContact CG2-CB 4.06Å; V478-A519 HydrophobicContact CG1-CB 4.47Å; V478-A519 HydrophobicContact CG2-CB 3.86Å |
| 479 | S | 93.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.2 | 177.5 | 76.9 | 0 | 0 | 0 | 0 | 114.8 | H475 W476 | H475-S479 PolarHBondContact O-N 2.9Å; W476-S479 PolarHBondContact O-N 2.95Å; W476-S479 PolarHBondContact O-OG 3.47Å |
| 480 | Q | 96.9 | Very high | 96.3 | Very high | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -94.5 | 164.8 | -179.3 | -62.2 | -45.5 | -67.5 | 0 | 0 | 112.5 | W476 V477 V478 P482 Y485 | W476-Q480 HydrophobicContact CD2-CG 4.23Å; W476-Q480 HydrophobicContact CE3-CG 4.35Å; W476-Q480 HydrophobicContact CH2-CG 4.1Å; W476-Q480 HydrophobicContact CZ2-CG 3.96Å; W476-Q480 HydrophobicContact CZ3-CG 4.28Å; W476-Q480 WeakPolarHBondContact O-CG 3.45Å; V477-Q480 PolarHBondContact O-N 2.94Å; V478-Q480 PolarHBondContact O-N 3.46Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; Q480-P482 WeakPolarHBondContact O-CD 3.4Å; Q480-Y485 HydrophobicContact CB-CD2 3.68Å; Q480-Y485 HydrophobicContact CB-CE2 4.14Å; Q480-Y485 HydrophobicContact CG-CD2 3.9Å; Q480-Y485 HydrophobicContact CG-CE2 4.08Å |
| 481 | P | 96.1 | Very high | 96.3 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | trans | -54.3 | 123 | 175.6 | -27.1 | 35.7 | 0 | 0 | 0 | 112.4 | D483 T484 | P481-D483 VanDerWaalsContact C-N 3.32Å; P481-D483 PolarHBondContact O-N 2.84Å; P481-D483 VanDerWaalsContact O-N 3.11Å; P481-T484 WeakPolarHBondContact O-CB 3.45Å; P481-T484 PolarHBondContact O-N 3.07Å; P481-T484 PolarHBondContact O-OG1 3.33Å | ||
| 482 | P | 91.7 | Very high | 96.5 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -37.9 | -165 | -31.7 | 34.4 | 0 | 0 | 0 | 115.7 | Q480 T484 L486 K487 | Q480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-T484 PolarHBondContact O-N 3.04Å; P482-L486 HydrophobicContact CB-CD2 4.42Å; P482-L486 PolarHBondContact O-N 3.48Å; P482-K487 VanDerWaalsContact O-CB 3.31Å; P482-K487 WeakPolarHBondContact O-CB 3.27Å; P482-K487 PolarHBondContact O-N 2.83Å |
| 483 | D | 95.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 60% | 0.604 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.9 | -179 | -74.9 | -53.9 | 0 | 0 | 0 | 113.6 | P481 K487 | P481-D483 VanDerWaalsContact C-N 3.32Å; P481-D483 PolarHBondContact O-N 2.84Å; P481-D483 VanDerWaalsContact O-N 3.11Å; D483-K487 WeakPolarHBondContact OD1-CD 3.42Å; D483-K487 IonicContact OD1-NZ 3.9Å; D483-K487 PolarHBondContact OD1-NZ 2.93Å |
| 484 | T | 95.8 | Very high | 96.6 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -46.8 | -174.4 | -45.3 | 0 | 0 | 0 | 0 | 112.2 | P481 P482 P488 | P481-T484 WeakPolarHBondContact O-CB 3.45Å; P481-T484 PolarHBondContact O-N 3.07Å; P481-T484 PolarHBondContact O-OG1 3.33Å; P482-T484 PolarHBondContact O-N 3.04Å; T484-P488 WeakPolarHBondContact O-CG 3.45Å |
| 485 | Y | 97.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | -49.5 | -172.6 | -53 | -70.3 | 0 | 0 | 0 | 112.9 | I448 P449 W476 Q480 K487 P488 L489 | I448-Y485 HydrophobicContact CG2-CD1 4.18Å; P449-Y485 HydrophobicContact CG-CD1 4.09Å; P449-Y485 HydrophobicContact CG-CE1 3.69Å; W476-Y485 HydrophobicContact CH2-CD2 4.14Å; W476-Y485 HydrophobicContact CH2-CE1 4.45Å; W476-Y485 AromaticContact CH2-CE2 3.78Å; W476-Y485 HydrophobicContact CH2-CE2 3.78Å; W476-Y485 AromaticContact CH2-CZ 3.95Å; W476-Y485 HydrophobicContact CZ3-CD2 4.12Å; W476-Y485 HydrophobicContact CZ3-CE2 4.23Å; W476-Y485 HydrophobicContact CZ3-CG 4.29Å; Q480-Y485 HydrophobicContact CB-CD2 3.68Å; Q480-Y485 HydrophobicContact CB-CE2 4.14Å; Q480-Y485 HydrophobicContact CG-CD2 3.9Å; Q480-Y485 HydrophobicContact CG-CE2 4.08Å; Y485-K487 PolarHBondContact O-N 2.91Å; Y485-P488 VanDerWaalsContact O-CD 3.22Å; Y485-P488 WeakPolarHBondContact O-CD 3.4Å; Y485-P488 VanDerWaalsContact O-CG 3.26Å; Y485-P488 WeakPolarHBondContact O-CG 3.46Å; Y485-L489 WeakPolarHBondContact O-CB 3.4Å; Y485-L489 PolarHBondContact O-N 3.09Å |
| 486 | L | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -52.8 | -177.2 | 176.3 | 59.2 | 0 | 0 | 0 | 112.4 | V477 V478 P482 L489 M490 L515 E522 | V477-L486 HydrophobicContact CG1-CB 4.05Å; V477-L486 HydrophobicContact CG1-CD1 4.45Å; V478-L486 HydrophobicContact CG2-CD1 4.15Å; P482-L486 HydrophobicContact CB-CD2 4.42Å; P482-L486 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 3.15Å; L486-M490 VanDerWaalsContact O-CB 3.24Å; L486-M490 WeakPolarHBondContact O-CB 3.15Å; L486-M490 PolarHBondContact O-N 3.22Å; L486-L515 HydrophobicContact CD1-CD1 3.8Å; L486-L515 HydrophobicContact CD1-CD2 4.25Å; L486-L515 HydrophobicContact CD1-CG 4.28Å; L486-E522 HydrophobicContact CD2-CB 4.37Å |
| 487 | K | 97.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 35% | 0.352 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.5 | -49.5 | -179.3 | -176.7 | 177.1 | -177.5 | 168.6 | 0 | 113.8 | P482 D483 Y485 L489 T491 Y526 | P482-K487 VanDerWaalsContact O-CB 3.31Å; P482-K487 WeakPolarHBondContact O-CB 3.27Å; P482-K487 PolarHBondContact O-N 2.83Å; D483-K487 WeakPolarHBondContact OD1-CD 3.42Å; D483-K487 IonicContact OD1-NZ 3.9Å; D483-K487 PolarHBondContact OD1-NZ 2.93Å; Y485-K487 PolarHBondContact O-N 2.91Å; K487-L489 VanDerWaalsContact C-N 3.35Å; K487-T491 WeakPolarHBondContact O-CB 3.24Å; K487-T491 PolarHBondContact O-N 3.31Å; K487-T491 PolarHBondContact O-OG1 3.44Å; K487-Y526 HydrophobicContact CD-CE1 4.15Å; K487-Y526 HydrophobicContact CG-CE1 4.23Å |
| 488 | P | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 175.6 | 22.2 | -30.5 | 0 | 0 | 0 | 112.6 | I452 T484 Y485 T491 E492 | I452-P488 HydrophobicContact CD1-CG 4.48Å; T484-P488 WeakPolarHBondContact O-CG 3.45Å; Y485-P488 VanDerWaalsContact O-CD 3.22Å; Y485-P488 WeakPolarHBondContact O-CD 3.4Å; Y485-P488 VanDerWaalsContact O-CG 3.26Å; Y485-P488 WeakPolarHBondContact O-CG 3.46Å; P488-T491 PolarHBondContact O-N 2.9Å; P488-E492 PolarHBondContact O-N 2.94Å |
| 489 | L | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -57.2 | 174.7 | 174.3 | 59.1 | 0 | 0 | 0 | 111.3 | I452 L455 L470 V477 Y485 L486 K487 T491 E492 L493 L515 | I452-L489 HydrophobicContact CD1-CB 4.03Å; I452-L489 HydrophobicContact CG1-CB 4.34Å; I452-L489 HydrophobicContact CG1-CD1 4.16Å; L455-L489 HydrophobicContact CD1-CD1 4.32Å; L470-L489 HydrophobicContact CB-CD1 4.03Å; L470-L489 HydrophobicContact CD1-CD1 3.64Å; L470-L489 HydrophobicContact CD2-CD1 4.02Å; L470-L489 HydrophobicContact CG-CD1 4.11Å; V477-L489 HydrophobicContact CB-CD2 4.33Å; V477-L489 HydrophobicContact CG1-CD2 3.82Å; V477-L489 HydrophobicContact CG2-CD2 4.2Å; Y485-L489 WeakPolarHBondContact O-CB 3.4Å; Y485-L489 PolarHBondContact O-N 3.09Å; L486-L489 PolarHBondContact O-N 3.15Å; K487-L489 VanDerWaalsContact C-N 3.35Å; L489-T491 PolarHBondContact O-N 3.39Å; L489-E492 PolarHBondContact O-N 3.4Å; L489-E492 VanDerWaalsContact O-N 3.15Å; L489-L493 HydrophobicContact CD1-CD1 3.75Å; L489-L493 HydrophobicContact CD1-CG 3.98Å; L489-L493 HydrophobicContact CG-CD1 3.92Å; L489-L493 WeakPolarHBondContact O-CB 3.49Å; L489-L493 PolarHBondContact O-N 2.82Å; L489-L515 HydrophobicContact CD2-CD1 4.3Å; L489-L515 HydrophobicContact CD2-CD2 4.25Å; L489-L515 HydrophobicContact CG-CD2 4.29Å |
| 490 | M | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.5 | -44.7 | 176.8 | 176.3 | -163.5 | 72.2 | 0 | 0 | 110.8 | L486 E492 L493 L494 F512 L515 L523 Y526 I530 | L486-M490 VanDerWaalsContact O-CB 3.24Å; L486-M490 WeakPolarHBondContact O-CB 3.15Å; L486-M490 PolarHBondContact O-N 3.22Å; M490-E492 PolarHBondContact O-N 2.86Å; M490-L493 PolarHBondContact O-N 3.18Å; M490-L494 HydrophobicContact CG-CD1 4.04Å; M490-L494 HydrophobicContact CG-CG 4.47Å; M490-L494 WeakPolarHBondContact O-CB 3.4Å; M490-L494 WeakPolarHBondContact O-CG 3.49Å; M490-L494 PolarHBondContact O-N 3.33Å; M490-F512 HydrophobicContact CG-CE2 3.87Å; M490-F512 HydrophobicContact CG-CZ 4.37Å; M490-L515 HydrophobicContact CB-CD2 4.38Å; M490-L523 HydrophobicContact SD-CD2 4.26Å; M490-Y526 HydrophobicContact CE-CD1 3.7Å; M490-Y526 HydrophobicContact CE-CD2 3.97Å; M490-Y526 HydrophobicContact CE-CE1 4.29Å; M490-Y526 HydrophobicContact CE-CG 3.51Å; M490-Y526 HydrophobicContact SD-CD2 3.81Å; M490-Y526 HydrophobicContact SD-CG 3.76Å; M490-I530 HydrophobicContact SD-CD1 4.13Å; M490-I530 HydrophobicContact SD-CG1 4.31Å |
| 491 | T | 98.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 23% | 0.233 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | K487 P488 L489 K495 | K487-T491 WeakPolarHBondContact O-CB 3.24Å; K487-T491 PolarHBondContact O-N 3.31Å; K487-T491 PolarHBondContact O-OG1 3.44Å; P488-T491 PolarHBondContact O-N 2.9Å; L489-T491 PolarHBondContact O-N 3.39Å; T491-K495 WeakPolarHBondContact O-CG 3.38Å; T491-K495 PolarHBondContact O-N 2.89Å |
| 492 | E | 98.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 17% | 0.173 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.8 | -33.9 | 179.9 | -66.3 | -54.8 | 136.1 | 0 | 0 | 112.5 | I452 L455 P488 L489 M490 K495 R496 | I452-E492 HydrophobicContact CG2-CB 4.33Å; I452-E492 HydrophobicContact CG2-CG 3.91Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.7Å; P488-E492 PolarHBondContact O-N 2.94Å; L489-E492 PolarHBondContact O-N 3.4Å; L489-E492 VanDerWaalsContact O-N 3.15Å; M490-E492 PolarHBondContact O-N 2.86Å; E492-K495 WeakPolarHBondContact O-CB 3.19Å; E492-K495 PolarHBondContact O-N 2.88Å; E492-K495 IonicContact OE1-NZ 2.73Å; E492-K495 PolarHBondContact OE1-NZ 2.87Å; E492-K495 WeakPolarHBondContact OE2-CD 3.34Å; E492-K495 IonicContact OE2-NZ 2.64Å; E492-K495 PolarHBondContact OE2-NZ 3.02Å; E492-R496 PolarHBondContact O-N 2.7Å; E492-R496 VanDerWaalsContact O-N 3.12Å |
| 493 | L | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 172.3 | -85 | 174.8 | 0 | 0 | 0 | 111.8 | L455 C467 L489 M490 K495 R496 I497 A511 F512 L515 | L455-L493 HydrophobicContact CD1-CD2 4.46Å; L455-L493 HydrophobicContact CD1-CG 4.32Å; L455-L493 HydrophobicContact CD2-CD2 4.36Å; C467-L493 HydrophobicContact CB-CD2 4.16Å; L489-L493 HydrophobicContact CD1-CD1 3.75Å; L489-L493 HydrophobicContact CD1-CG 3.98Å; L489-L493 HydrophobicContact CG-CD1 3.92Å; L489-L493 WeakPolarHBondContact O-CB 3.49Å; L489-L493 PolarHBondContact O-N 2.82Å; M490-L493 PolarHBondContact O-N 3.18Å; L493-K495 PolarHBondContact O-N 3.32Å; L493-R496 CarbonylContact O-C 3.59Å; L493-R496 WeakPolarHBondContact O-CA 3.2Å; L493-R496 WeakPolarHBondContact O-CB 3.4Å; L493-R496 PolarHBondContact O-N 3.31Å; L493-I497 PolarHBondContact O-N 3.03Å; L493-A511 HydrophobicContact CD2-CB 4.21Å; L493-F512 HydrophobicContact CB-CD2 4.25Å; L493-F512 HydrophobicContact CD1-CD2 4.42Å; L493-L515 HydrophobicContact CD1-CD2 4.03Å |
| 494 | L | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -34.1 | 175.8 | -71.7 | 174.1 | 0 | 0 | 0 | 112.2 | M490 R496 I497 F512 Y529 I530 T533 | M490-L494 HydrophobicContact CG-CD1 4.04Å; M490-L494 HydrophobicContact CG-CG 4.47Å; M490-L494 WeakPolarHBondContact O-CB 3.4Å; M490-L494 WeakPolarHBondContact O-CG 3.49Å; M490-L494 PolarHBondContact O-N 3.33Å; L494-R496 VanDerWaalsContact C-N 3.32Å; L494-I497 HydrophobicContact CD2-CD1 3.98Å; L494-F512 HydrophobicContact CD2-CD1 4.37Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 3.83Å; L494-F512 HydrophobicContact CD2-CE2 3.97Å; L494-F512 HydrophobicContact CD2-CZ 3.64Å; L494-F512 HydrophobicContact CG-CE2 4.18Å; L494-F512 HydrophobicContact CG-CZ 4.24Å; L494-Y529 HydrophobicContact CB-CE1 4.5Å; L494-Y529 HydrophobicContact CD1-CD1 3.53Å; L494-Y529 HydrophobicContact CD1-CE1 3.4Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.4Å; L494-Y529 HydrophobicContact CD1-CG 4.41Å; L494-I530 HydrophobicContact CD1-CG1 4.1Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; L494-T533 HydrophobicContact CB-CG2 4.03Å; L494-T533 HydrophobicContact CD2-CG2 3.99Å; L494-T533 VanDerWaalsContact O-CG2 3.27Å; L494-T533 WeakPolarHBondContact O-CG2 3.31Å |
| 495 | K | 98.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 25.8 Ų | 25.8 | 38% | 0.383 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 171.3 | -67.8 | 171.5 | -173.4 | 169.6 | 0 | 112.6 | T491 E492 L493 L498 | T491-K495 WeakPolarHBondContact O-CG 3.38Å; T491-K495 PolarHBondContact O-N 2.89Å; E492-K495 WeakPolarHBondContact O-CB 3.19Å; E492-K495 PolarHBondContact O-N 2.88Å; E492-K495 IonicContact OE1-NZ 2.73Å; E492-K495 PolarHBondContact OE1-NZ 2.87Å; E492-K495 WeakPolarHBondContact OE2-CD 3.34Å; E492-K495 IonicContact OE2-NZ 2.64Å; E492-K495 PolarHBondContact OE2-NZ 3.02Å; L493-K495 PolarHBondContact O-N 3.32Å; K495-L498 CarbonylContact O-C 3.59Å; K495-L498 PolarHBondContact O-N 2.84Å |
| 496 | R | 98.3 | Very high | 96.7 | Very high | 47 Ų | 47 | 25 Ų | 25 | 18% | 0.177 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -78.8 | -27.9 | 177.2 | -68.2 | -45.4 | 97.9 | -174.3 | 6.7 | 113.8 | L455 E492 L493 L494 L498 D499 V504 A508 | L455-R496 HydrophobicContact CB-CG 4.25Å; L455-R496 HydrophobicContact CD2-CG 4.26Å; L455-R496 WeakPolarHBondContact O-CD 3.26Å; E492-R496 PolarHBondContact O-N 2.7Å; E492-R496 VanDerWaalsContact O-N 3.12Å; L493-R496 CarbonylContact O-C 3.59Å; L493-R496 WeakPolarHBondContact O-CA 3.2Å; L493-R496 WeakPolarHBondContact O-CB 3.4Å; L493-R496 PolarHBondContact O-N 3.31Å; L494-R496 VanDerWaalsContact C-N 3.32Å; R496-L498 PolarHBondContact O-N 3.1Å; R496-D499 WeakPolarHBondContact CD-OD2 3.5Å; R496-D499 IonicContact CZ-OD2 3.84Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 IonicContact NH1-OD2 2.79Å; R496-D499 PolarHBondContact NH1-OD2 3.33Å; R496-D499 WeakPolarHBondContact O-CB 3.24Å; R496-D499 PolarHBondContact O-N 3.44Å; R496-V504 HydrophobicContact CB-CG1 4.2Å; R496-V504 HydrophobicContact CG-CG1 4.42Å; R496-A508 VanDerWaalsContact C-CB 3.42Å; R496-A508 HydrophobicContact CB-CB 3.45Å; R496-A508 VanDerWaalsContact CB-CB 3.45Å |
| 497 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.7 | -35.8 | 164.7 | -67.2 | -176.8 | 0 | 0 | 0 | 109.2 | L493 L494 A508 F512 T533 L534 A537 Y541 | L493-I497 PolarHBondContact O-N 3.03Å; L494-I497 HydrophobicContact CD2-CD1 3.98Å; I497-A508 HydrophobicContact CG1-CB 4.2Å; I497-F512 HydrophobicContact CD1-CB 3.94Å; I497-F512 HydrophobicContact CD1-CD1 3.84Å; I497-F512 HydrophobicContact CD1-CG 3.9Å; I497-T533 HydrophobicContact CB-CG2 4.38Å; I497-T533 HydrophobicContact CG2-CG2 4.28Å; I497-L534 HydrophobicContact CD1-CD2 3.89Å; I497-L534 HydrophobicContact CG2-CD2 4.42Å; I497-A537 HydrophobicContact CG2-CB 4.25Å; I497-Y541 VanDerWaalsContact CG2-OH 3.29Å; I497-Y541 WeakPolarHBondContact CG2-OH 3.23Å; I497-Y541 WeakPolarHBondContact O-CE1 3.24Å; I497-Y541 PolarHBondContact O-OH 2.98Å |
| 498 | L | 98.1 | Very high | 96.4 | Very high | 46 Ų | 46 | 22 Ų | 22 | 24% | 0.241 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 23.8 | 177 | -53.9 | -175.1 | 0 | 0 | 0 | 114.2 | K495 R496 T533 F536 A537 K540 | K495-L498 CarbonylContact O-C 3.59Å; K495-L498 PolarHBondContact O-N 2.84Å; R496-L498 PolarHBondContact O-N 3.1Å; L498-T533 HydrophobicContact CD1-CG2 3.92Å; L498-T533 HydrophobicContact CD2-CG2 4.27Å; L498-T533 HydrophobicContact CG-CG2 3.83Å; L498-F536 HydrophobicContact CD1-CD1 3.73Å; L498-F536 HydrophobicContact CD1-CE1 4.34Å; L498-F536 HydrophobicContact CD1-CG 4.45Å; L498-F536 HydrophobicContact CD2-CD1 3.77Å; L498-F536 HydrophobicContact CG-CD1 4.37Å; L498-A537 HydrophobicContact CD2-CB 3.99Å; L498-K540 HydrophobicContact CD2-CD 4.48Å; L498-K540 WeakPolarHBondContact O-CE 3.21Å; L498-K540 PolarHBondContact O-NZ 3.14Å |
| 499 | D | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | trans | -61.8 | 159.6 | 177.3 | -157.7 | -78.4 | 0 | 0 | 0 | 111.8 | R463 R496 N501 V504 Q505 K540 | R463-D499 IonicContact CZ-OD1 2.72Å; R463-D499 IonicContact CZ-OD2 3.51Å; R463-D499 IonicContact NE-OD1 3.53Å; R463-D499 IonicContact NE-OD2 3.77Å; R463-D499 PolarHBondContact NE-OD2 3.16Å; R463-D499 IonicContact NH2-OD1 2.9Å; R463-D499 PolarHBondContact NH2-OD1 2.92Å; R463-D499 IonicContact NH2-OD2 3.2Å; R463-D499 PolarHBondContact NH2-OD2 2.75Å; R496-D499 WeakPolarHBondContact CD-OD2 3.5Å; R496-D499 IonicContact CZ-OD2 3.84Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 IonicContact NH1-OD2 2.79Å; R496-D499 PolarHBondContact NH1-OD2 3.33Å; R496-D499 WeakPolarHBondContact O-CB 3.24Å; R496-D499 PolarHBondContact O-N 3.44Å; D499-N501 VanDerWaalsContact C-N 3.34Å; D499-N501 WeakPolarHBondContact OD1-CB 3.15Å; D499-N501 PolarHBondContact OD1-N 3.01Å; D499-V504 HydrophobicContact CB-CB 3.77Å; D499-V504 HydrophobicContact CB-CG1 3.59Å; D499-V504 VanDerWaalsContact CG-CG1 3.45Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.42Å; D499-Q505 HydrophobicContact CB-CG 4.41Å; D499-Q505 WeakPolarHBondContact O-CG 3.42Å; D499-Q505 PolarHBondContact O-NE2 3.16Å; D499-K540 WeakPolarHBondContact O-CE 3.42Å; D499-K540 PolarHBondContact O-NZ 3.05Å | ||
| 500 | S | 95.1 | Very high | 96.1 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 22% | 0.224 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -83.8 | -13.2 | 177 | 54 | 0 | 0 | 0 | 0 | 113.9 | E331 E332 D333 E334 | E331-S500 CarbonylContact O-C 3.28Å; E331-S500 PolarHBondContact O-OG 2.9Å; E332-S500 WeakPolarHBondContact CA-O 3.49Å; D333-S500 PolarHBondContact N-O 2.62Å; E334-S500 WeakPolarHBondContact CB-O 3.47Å; E334-S500 PolarHBondContact N-O 2.76Å; E334-S500 VanDerWaalsContact OE2-CA 3.27Å; E334-S500 WeakPolarHBondContact OE2-CA 3.46Å |
| 501 | N | 93.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -99.7 | 126.8 | 174.9 | -179 | -82 | 0 | 0 | 0 | 110.8 | V330 D333 A460 D499 R503 V504 Q505 | V330-N501 PolarHBondContact O-ND2 3.31Å; D333-N501 VanDerWaalsContact OD1-CA 3.26Å; D333-N501 WeakPolarHBondContact OD1-CA 3.27Å; A460-N501 HydrophobicContact CB-CB 3.98Å; D499-N501 VanDerWaalsContact C-N 3.34Å; D499-N501 WeakPolarHBondContact OD1-CB 3.15Å; D499-N501 PolarHBondContact OD1-N 3.01Å; N501-R503 VanDerWaalsContact C-N 3.34Å; N501-R503 PolarHBondContact O-N 2.77Å; N501-R503 WeakPolarHBondContact OD1-CA 3.1Å; N501-R503 VanDerWaalsContact OD1-CB 3.31Å; N501-R503 WeakPolarHBondContact OD1-CB 3.25Å; N501-R503 PolarHBondContact OD1-N 3.45Å; N501-V504 HydrophobicContact CB-CB 4.31Å; N501-V504 HydrophobicContact CB-CG2 3.96Å; N501-V504 PolarHBondContact O-N 2.99Å; N501-V504 VanDerWaalsContact O-N 3.1Å; N501-V504 PolarHBondContact OD1-N 2.72Å; N501-V504 VanDerWaalsContact OD1-N 3.14Å; N501-Q505 WeakPolarHBondContact O-CG 3.29Å; N501-Q505 PolarHBondContact O-N 2.8Å |
| 502 | K | 91.7 | Very high | 95.9 | Very high | 23 Ų | 23 | 20.4 Ų | 20.4 | 10% | 0.1 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -34.2 | -177 | -69 | -172.2 | -64.8 | 176.3 | 0 | 113.5 | D333 I336 D338 V504 Q505 E506 Q542 N545 | D333-K502 WeakPolarHBondContact O-CE 3.38Å; D333-K502 PolarHBondContact OD1-N 3.09Å; D333-K502 WeakPolarHBondContact OD2-CE 3.46Å; I336-K502 PolarHBondContact O-NZ 3.17Å; D338-K502 IonicContact OD1-NZ 2.91Å; D338-K502 PolarHBondContact OD1-NZ 2.95Å; K502-V504 VanDerWaalsContact C-N 3.34Å; K502-Q505 WeakPolarHBondContact O-CB 3.42Å; K502-Q505 PolarHBondContact O-N 3.12Å; K502-E506 PolarHBondContact O-N 2.87Å; K502-Q542 HydrophobicContact CD-CB 4.33Å; K502-Q542 HydrophobicContact CD-CG 4.14Å; K502-N545 PolarHBondContact O-ND2 3.25Å |
| 503 | R | 90.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 19.3 Ų | 19.3 | 18% | 0.177 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.3 | -34.9 | 174.8 | 172.4 | 176.2 | -77.3 | 120.3 | 3.8 | 111.7 | L326 N501 A507 | L326-R503 VanDerWaalsContact CD2-CZ 3.43Å; N501-R503 VanDerWaalsContact C-N 3.34Å; N501-R503 PolarHBondContact O-N 2.77Å; N501-R503 WeakPolarHBondContact OD1-CA 3.1Å; N501-R503 VanDerWaalsContact OD1-CB 3.31Å; N501-R503 WeakPolarHBondContact OD1-CB 3.25Å; N501-R503 PolarHBondContact OD1-N 3.45Å; R503-A507 WeakPolarHBondContact O-CB 3.5Å; R503-A507 PolarHBondContact O-N 2.87Å |
| 504 | V | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | A460 R463 R496 D499 N501 K502 A508 | A460-V504 HydrophobicContact CB-CG2 3.82Å; A460-V504 VanDerWaalsContact O-CG2 3.3Å; A460-V504 WeakPolarHBondContact O-CG2 3.17Å; R463-V504 HydrophobicContact CB-CG1 3.93Å; R463-V504 HydrophobicContact CB-CG2 4.03Å; R496-V504 HydrophobicContact CB-CG1 4.2Å; R496-V504 HydrophobicContact CG-CG1 4.42Å; D499-V504 HydrophobicContact CB-CB 3.77Å; D499-V504 HydrophobicContact CB-CG1 3.59Å; D499-V504 VanDerWaalsContact CG-CG1 3.45Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.42Å; N501-V504 HydrophobicContact CB-CB 4.31Å; N501-V504 HydrophobicContact CB-CG2 3.96Å; N501-V504 PolarHBondContact O-N 2.99Å; N501-V504 VanDerWaalsContact O-N 3.1Å; N501-V504 PolarHBondContact OD1-N 2.72Å; N501-V504 VanDerWaalsContact OD1-N 3.14Å; K502-V504 VanDerWaalsContact C-N 3.34Å; V504-A508 WeakPolarHBondContact O-CB 3.49Å; V504-A508 PolarHBondContact O-N 2.93Å |
| 505 | Q | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 173.5 | -68.5 | 171.7 | 0.4 | 0 | 0 | 111.6 | D499 N501 K502 A508 C509 Y541 N545 | D499-Q505 HydrophobicContact CB-CG 4.41Å; D499-Q505 WeakPolarHBondContact O-CG 3.42Å; D499-Q505 PolarHBondContact O-NE2 3.16Å; N501-Q505 WeakPolarHBondContact O-CG 3.29Å; N501-Q505 PolarHBondContact O-N 2.8Å; K502-Q505 WeakPolarHBondContact O-CB 3.42Å; K502-Q505 PolarHBondContact O-N 3.12Å; Q505-A508 PolarHBondContact O-N 3.37Å; Q505-C509 VanDerWaalsContact O-CB 3.24Å; Q505-C509 WeakPolarHBondContact O-CB 3.35Å; Q505-C509 PolarHBondContact O-N 3.44Å; Q505-Y541 HydrophobicContact CB-CE1 3.78Å; Q505-Y541 HydrophobicContact CG-CD1 4.46Å; Q505-Y541 HydrophobicContact CG-CE1 3.74Å; Q505-Y541 PolarHBondContact O-OH 3.02Å; Q505-N545 WeakPolarHBondContact CB-ND2 2.81Å; Q505-N545 PolarHBondContact OE1-ND2 2.9Å |
| 506 | E | 92.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.3 | -58.9 | 175.9 | 174.3 | 170 | -142.3 | 0 | 0 | 111.4 | K502 A508 C509 S510 K544 | K502-E506 PolarHBondContact O-N 2.87Å; E506-A508 VanDerWaalsContact C-N 3.26Å; E506-A508 PolarHBondContact O-N 3.08Å; E506-C509 PolarHBondContact O-N 3.05Å; E506-S510 PolarHBondContact O-N 3.06Å; E506-S510 PolarHBondContact O-OG 3.16Å; E506-K544 WeakPolarHBondContact OE1-CE 3.4Å; E506-K544 IonicContact OE1-NZ 3.83Å; E506-K544 PolarHBondContact OE1-NZ 3.1Å; E506-K544 IonicContact OE2-NZ 3.24Å; E506-K544 PolarHBondContact OE2-NZ 2.75Å |
| 507 | A | 93.4 | Very high | 94.3 | Very high | 20 Ų | 20 | 20 Ų | 20 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -36.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C467 R503 A511 | C467-A507 HydrophobicContact CB-CB 4.17Å; C467-A507 WeakPolarHBondContact CB-O 3.38Å; R503-A507 WeakPolarHBondContact O-CB 3.5Å; R503-A507 PolarHBondContact O-N 2.87Å; A507-A511 WeakPolarHBondContact O-CB 3.21Å; A507-A511 PolarHBondContact O-N 3.1Å |
| 508 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.7 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R496 I497 V504 Q505 E506 F512 | R496-A508 VanDerWaalsContact C-CB 3.42Å; R496-A508 HydrophobicContact CB-CB 3.45Å; R496-A508 VanDerWaalsContact CB-CB 3.45Å; I497-A508 HydrophobicContact CG1-CB 4.2Å; V504-A508 WeakPolarHBondContact O-CB 3.49Å; V504-A508 PolarHBondContact O-N 2.93Å; Q505-A508 PolarHBondContact O-N 3.37Å; E506-A508 VanDerWaalsContact C-N 3.26Å; E506-A508 PolarHBondContact O-N 3.08Å; A508-F512 WeakPolarHBondContact O-CB 3.36Å; A508-F512 PolarHBondContact O-N 3.4Å |
| 509 | C | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -46 | 178.8 | -156.4 | 0 | 0 | 0 | 0 | 110.6 | Q505 E506 F512 A513 I548 | Q505-C509 VanDerWaalsContact O-CB 3.24Å; Q505-C509 WeakPolarHBondContact O-CB 3.35Å; Q505-C509 PolarHBondContact O-N 3.44Å; E506-C509 PolarHBondContact O-N 3.05Å; C509-F512 PolarHBondContact O-N 3.1Å; C509-A513 PolarHBondContact O-N 2.85Å; C509-I548 HydrophobicContact CB-CG2 3.8Å |
| 510 | S | 93.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 23 Ų | 23 | 35% | 0.35 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.3 | -52 | 0 | 0 | 0 | 0 | 111.7 | E506 F512 A513 T514 | E506-S510 PolarHBondContact O-N 3.06Å; E506-S510 PolarHBondContact O-OG 3.16Å; S510-F512 PolarHBondContact O-N 3.44Å; S510-A513 PolarHBondContact O-N 3.48Å; S510-A513 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-N 2.99Å; S510-T514 VanDerWaalsContact O-N 3.15Å; S510-T514 PolarHBondContact O-OG1 2.97Å |
| 511 | A | 94.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -28.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C467 L493 A507 L515 | C467-A511 HydrophobicContact CB-CB 3.86Å; C467-A511 VanDerWaalsContact O-CB 3.26Å; C467-A511 WeakPolarHBondContact O-CB 3.43Å; L493-A511 HydrophobicContact CD2-CB 4.21Å; A507-A511 WeakPolarHBondContact O-CB 3.21Å; A507-A511 PolarHBondContact O-N 3.1Å; A511-L515 PolarHBondContact O-N 2.88Å |
| 512 | F | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.2 | -37.7 | 175.7 | -168 | -110.2 | 0 | 0 | 0 | 112.1 | M490 L493 L494 I497 A508 C509 S510 L515 E516 I530 | M490-F512 HydrophobicContact CG-CE2 3.87Å; M490-F512 HydrophobicContact CG-CZ 4.37Å; L493-F512 HydrophobicContact CB-CD2 4.25Å; L493-F512 HydrophobicContact CD1-CD2 4.42Å; L494-F512 HydrophobicContact CD2-CD1 4.37Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 3.83Å; L494-F512 HydrophobicContact CD2-CE2 3.97Å; L494-F512 HydrophobicContact CD2-CZ 3.64Å; L494-F512 HydrophobicContact CG-CE2 4.18Å; L494-F512 HydrophobicContact CG-CZ 4.24Å; I497-F512 HydrophobicContact CD1-CB 3.94Å; I497-F512 HydrophobicContact CD1-CD1 3.84Å; I497-F512 HydrophobicContact CD1-CG 3.9Å; A508-F512 WeakPolarHBondContact O-CB 3.36Å; A508-F512 PolarHBondContact O-N 3.4Å; C509-F512 PolarHBondContact O-N 3.1Å; S510-F512 PolarHBondContact O-N 3.44Å; F512-L515 HydrophobicContact CD2-CD2 4.22Å; F512-L515 HydrophobicContact CE2-CD2 4.28Å; F512-L515 CarbonylContact O-C 3.26Å; F512-L515 WeakPolarHBondContact O-CA 3.42Å; F512-L515 WeakPolarHBondContact O-CB 3.3Å; F512-L515 PolarHBondContact O-N 3.02Å; F512-L515 VanDerWaalsContact O-N 3.11Å; F512-E516 HydrophobicContact CD1-CG 4.13Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.44Å; F512-E516 HydrophobicContact CE1-CG 3.91Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.43Å; F512-E516 HydrophobicContact CZ-CG 4.31Å; F512-E516 WeakPolarHBondContact O-CG 3.32Å; F512-E516 PolarHBondContact O-N 2.75Å; F512-I530 HydrophobicContact CE1-CG2 3.65Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 4.03Å; F512-I530 HydrophobicContact CZ-CG2 3.84Å |
| 513 | A | 93.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C509 S510 L515 E516 E517 A552 T555 | C509-A513 PolarHBondContact O-N 2.85Å; S510-A513 PolarHBondContact O-N 3.48Å; S510-A513 VanDerWaalsContact O-N 3.16Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.82Å; A513-E516 WeakPolarHBondContact O-CA 3.08Å; A513-E516 VanDerWaalsContact O-CB 3.32Å; A513-E516 WeakPolarHBondContact O-CB 3.35Å; A513-E516 PolarHBondContact O-N 3.34Å; A513-E517 PolarHBondContact O-N 3.12Å; A513-A552 HydrophobicContact CB-CB 4.33Å; A513-T555 HydrophobicContact CB-CG2 4.49Å |
| 514 | T | 91.3 | Very high | 93.7 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60 | -37.1 | 173.1 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | S510 E516 E518 | S510-T514 PolarHBondContact O-N 2.99Å; S510-T514 VanDerWaalsContact O-N 3.15Å; S510-T514 PolarHBondContact O-OG1 2.97Å; T514-E516 VanDerWaalsContact C-N 3.3Å; T514-E516 PolarHBondContact O-N 3.18Å; T514-E518 WeakPolarHBondContact O-CG 3.47Å; T514-E518 PolarHBondContact O-N 3.35Å |
| 515 | L | 94.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -30.8 | 175.2 | -175.8 | 64.7 | 0 | 0 | 0 | 112 | A474 V478 L486 L489 M490 L493 A511 F512 A513 A519 | A474-L515 HydrophobicContact CB-CD1 4Å; V478-L515 HydrophobicContact CG2-CD1 4.06Å; L486-L515 HydrophobicContact CD1-CD1 3.8Å; L486-L515 HydrophobicContact CD1-CD2 4.25Å; L486-L515 HydrophobicContact CD1-CG 4.28Å; L489-L515 HydrophobicContact CD2-CD1 4.3Å; L489-L515 HydrophobicContact CD2-CD2 4.25Å; L489-L515 HydrophobicContact CG-CD2 4.29Å; M490-L515 HydrophobicContact CB-CD2 4.38Å; L493-L515 HydrophobicContact CD1-CD2 4.03Å; A511-L515 PolarHBondContact O-N 2.88Å; F512-L515 HydrophobicContact CD2-CD2 4.22Å; F512-L515 HydrophobicContact CE2-CD2 4.28Å; F512-L515 CarbonylContact O-C 3.26Å; F512-L515 WeakPolarHBondContact O-CA 3.42Å; F512-L515 WeakPolarHBondContact O-CB 3.3Å; F512-L515 PolarHBondContact O-N 3.02Å; F512-L515 VanDerWaalsContact O-N 3.11Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.82Å; L515-A519 WeakPolarHBondContact O-CB 2.98Å; L515-A519 PolarHBondContact O-N 3.34Å |
| 516 | E | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 175.1 | -70.8 | 169.3 | 148.4 | 0 | 0 | 111.5 | F512 A513 T514 E518 A519 C520 L523 T555 L556 S559 | F512-E516 HydrophobicContact CD1-CG 4.13Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.44Å; F512-E516 HydrophobicContact CE1-CG 3.91Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.43Å; F512-E516 HydrophobicContact CZ-CG 4.31Å; F512-E516 WeakPolarHBondContact O-CG 3.32Å; F512-E516 PolarHBondContact O-N 2.75Å; A513-E516 WeakPolarHBondContact O-CA 3.08Å; A513-E516 VanDerWaalsContact O-CB 3.32Å; A513-E516 WeakPolarHBondContact O-CB 3.35Å; A513-E516 PolarHBondContact O-N 3.34Å; T514-E516 VanDerWaalsContact C-N 3.3Å; T514-E516 PolarHBondContact O-N 3.18Å; E516-E518 VanDerWaalsContact C-N 3.35Å; E516-E518 PolarHBondContact O-N 3.37Å; E516-A519 PolarHBondContact O-N 2.99Å; E516-C520 PolarHBondContact O-N 3.02Å; E516-L523 HydrophobicContact CB-CD1 3.99Å; E516-L523 HydrophobicContact CG-CD1 3.6Å; E516-T555 HydrophobicContact CB-CG2 3.91Å; E516-L556 HydrophobicContact CG-CD1 4.32Å; E516-L556 WeakPolarHBondContact OE1-CB 3.29Å; E516-L556 WeakPolarHBondContact OE1-CD1 3.39Å; E516-S559 PolarHBondContact O-OG 3.36Å; E516-S559 VanDerWaalsContact O-OG 3.06Å |
| 517 | E | 88.1 | Confident | 94.1 | Very high | 104 Ų | 104 | 33.7 Ų | 33.7 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.7 | -48.4 | 175.2 | -76.4 | 152.5 | -163.7 | 0 | 0 | 111.5 | A513 C520 T555 | A513-E517 PolarHBondContact O-N 3.12Å; E517-C520 PolarHBondContact O-SG 3.33Å; E517-T555 HydrophobicContact CG-CG2 3.5Å; E517-T555 WeakPolarHBondContact OE1-CG2 3.24Å |
| 518 | E | 87.9 | Confident | 94.3 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 27% | 0.271 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.9 | -41.6 | -179.9 | -71.2 | -75.8 | -175.9 | 0 | 0 | 112.9 | A474 H475 V478 T514 E516 | A474-E518 HydrophobicContact CB-CB 4.29Å; A474-E518 HydrophobicContact CB-CG 3.97Å; H475-E518 WeakPolarHBondContact CA-OE2 3.46Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CG-OE2 3.73Å; H475-E518 IonicContact ND1-OE1 3.2Å; H475-E518 IonicContact ND1-OE2 3.43Å; H475-E518 PolarHBondContact ND1-OE2 3.24Å; V478-E518 HydrophobicContact CG2-CB 4.06Å; T514-E518 WeakPolarHBondContact O-CG 3.47Å; T514-E518 PolarHBondContact O-N 3.35Å; E516-E518 VanDerWaalsContact C-N 3.35Å; E516-E518 PolarHBondContact O-N 3.37Å |
| 519 | A | 91.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.9 | -26.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V478 L515 E516 T521 E522 L523 | V478-A519 HydrophobicContact CG1-CB 4.47Å; V478-A519 HydrophobicContact CG2-CB 3.86Å; L515-A519 WeakPolarHBondContact O-CB 2.98Å; L515-A519 PolarHBondContact O-N 3.34Å; E516-A519 PolarHBondContact O-N 2.99Å; A519-T521 PolarHBondContact O-N 3.49Å; A519-T521 VanDerWaalsContact O-N 3.1Å; A519-E522 HydrophobicContact CB-CB 4.46Å; A519-E522 WeakPolarHBondContact O-CB 3.43Å; A519-E522 PolarHBondContact O-N 3.14Å; A519-L523 HydrophobicContact CB-CD1 4.1Å; A519-L523 HydrophobicContact CB-CD2 3.71Å; A519-L523 HydrophobicContact CB-CG 3.6Å |
| 520 | C | 93.1 | Very high | 94.5 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 44.6 | -118 | 179.4 | -81.3 | 0 | 0 | 0 | 0 | 112 | E516 E517 E522 L523 S559 | E516-C520 PolarHBondContact O-N 3.02Å; E517-C520 PolarHBondContact O-SG 3.33Å; C520-E522 VanDerWaalsContact C-N 3.25Å; C520-E522 PolarHBondContact O-N 3Å; C520-L523 PolarHBondContact O-N 3.39Å; C520-S559 CarbonylContact C-O 3.58Å |
| 521 | T | 91.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -71.4 | -14.2 | -177.1 | 52.3 | 0 | 0 | 0 | 0 | 114.5 | A519 L523 V524 | A519-T521 PolarHBondContact O-N 3.49Å; A519-T521 VanDerWaalsContact O-N 3.1Å; T521-L523 PolarHBondContact O-N 3.31Å; T521-V524 WeakPolarHBondContact O-CB 3.18Å; T521-V524 VanDerWaalsContact O-CG2 3.27Å; T521-V524 WeakPolarHBondContact O-CG2 3.38Å; T521-V524 PolarHBondContact O-N 3.36Å; T521-V524 VanDerWaalsContact O-N 3.13Å |
| 522 | E | 93.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 41.3 Ų | 41.3 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -66 | -14.7 | 175.8 | -63.3 | -61 | 133.6 | 0 | 0 | 112.5 | L486 A519 C520 P525 | L486-E522 HydrophobicContact CD2-CB 4.37Å; A519-E522 HydrophobicContact CB-CB 4.46Å; A519-E522 WeakPolarHBondContact O-CB 3.43Å; A519-E522 PolarHBondContact O-N 3.14Å; C520-E522 VanDerWaalsContact C-N 3.25Å; C520-E522 PolarHBondContact O-N 3Å; E522-P525 VanDerWaalsContact O-CD 3.3Å; E522-P525 WeakPolarHBondContact O-CD 3.48Å |
| 523 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -82.9 | -18 | 174.6 | -61.9 | -176.3 | 0 | 0 | 0 | 114.3 | M490 E516 A519 C520 T521 P525 Y526 L527 I530 L556 V560 | M490-L523 HydrophobicContact SD-CD2 4.26Å; E516-L523 HydrophobicContact CB-CD1 3.99Å; E516-L523 HydrophobicContact CG-CD1 3.6Å; A519-L523 HydrophobicContact CB-CD1 4.1Å; A519-L523 HydrophobicContact CB-CD2 3.71Å; A519-L523 HydrophobicContact CB-CG 3.6Å; C520-L523 PolarHBondContact O-N 3.39Å; T521-L523 PolarHBondContact O-N 3.31Å; L523-P525 VanDerWaalsContact C-N 3.31Å; L523-Y526 WeakPolarHBondContact O-CA 3.43Å; L523-Y526 PolarHBondContact O-N 3.41Å; L523-L527 PolarHBondContact O-N 3.02Å; L523-I530 HydrophobicContact CB-CD1 4.06Å; L523-I530 HydrophobicContact CD1-CD1 4.44Å; L523-I530 HydrophobicContact CD2-CD1 4.31Å; L523-L556 HydrophobicContact CD1-CD1 4.43Å; L523-V560 HydrophobicContact CB-CG1 4.39Å |
| 524 | V | 97.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -51.8 | -40.1 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 113.4 | T521 Y526 L527 V560 H563 | T521-V524 WeakPolarHBondContact O-CB 3.18Å; T521-V524 VanDerWaalsContact O-CG2 3.27Å; T521-V524 WeakPolarHBondContact O-CG2 3.38Å; T521-V524 PolarHBondContact O-N 3.36Å; T521-V524 VanDerWaalsContact O-N 3.13Å; V524-Y526 PolarHBondContact O-N 3.32Å; V524-L527 WeakPolarHBondContact O-CB 3.44Å; V524-L527 PolarHBondContact O-N 3.22Å; V524-V560 HydrophobicContact CG2-CB 4.15Å; V524-V560 HydrophobicContact CG2-CG1 4.25Å; V524-H563 HydrophobicContact CG1-CB 4.09Å; V524-H563 HydrophobicContact CG2-CB 3.91Å |
| 525 | P | 97.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 40.3 Ų | 40.3 | 66% | 0.662 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -61.9 | -21.9 | 176.1 | -23.7 | 35.9 | 0 | 0 | 0 | 114.8 | E522 L523 | E522-P525 VanDerWaalsContact O-CD 3.3Å; E522-P525 WeakPolarHBondContact O-CD 3.48Å; L523-P525 VanDerWaalsContact C-N 3.31Å |
| 526 | Y | 98 | Very high | 95.7 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -109.5 | -0.3 | -174.4 | -49.8 | -70.6 | 0 | 0 | 0 | 113.3 | K487 M490 L523 V524 A528 Y529 I530 | K487-Y526 HydrophobicContact CD-CE1 4.15Å; K487-Y526 HydrophobicContact CG-CE1 4.23Å; M490-Y526 HydrophobicContact CE-CD1 3.7Å; M490-Y526 HydrophobicContact CE-CD2 3.97Å; M490-Y526 HydrophobicContact CE-CE1 4.29Å; M490-Y526 HydrophobicContact CE-CG 3.51Å; M490-Y526 HydrophobicContact SD-CD2 3.81Å; M490-Y526 HydrophobicContact SD-CG 3.76Å; L523-Y526 WeakPolarHBondContact O-CA 3.43Å; L523-Y526 PolarHBondContact O-N 3.41Å; V524-Y526 PolarHBondContact O-N 3.32Å; Y526-A528 VanDerWaalsContact C-N 3.28Å; Y526-A528 PolarHBondContact O-N 3.42Å; Y526-A528 VanDerWaalsContact O-N 3.1Å; Y526-Y529 WeakPolarHBondContact O-CB 3.38Å; Y526-Y529 PolarHBondContact O-N 3.33Å; Y526-I530 PolarHBondContact O-N 2.85Å; Y526-I530 VanDerWaalsContact O-N 3.15Å |
| 527 | L | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.6 | -39.2 | -169.2 | -173.8 | 55.3 | 0 | 0 | 0 | 114.4 | L523 V524 Y529 I530 L531 L556 V560 L564 Y569 | L523-L527 PolarHBondContact O-N 3.02Å; V524-L527 WeakPolarHBondContact O-CB 3.44Å; V524-L527 PolarHBondContact O-N 3.22Å; L527-Y529 VanDerWaalsContact C-N 3.34Å; L527-Y529 PolarHBondContact O-N 2.84Å; L527-I530 PolarHBondContact O-N 2.77Å; L527-L531 HydrophobicContact CD1-CD1 4.07Å; L527-L531 HydrophobicContact CD1-CG 4.1Å; L527-L531 HydrophobicContact CG-CD1 3.96Å; L527-L531 HydrophobicContact CG-CG 4.44Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 VanDerWaalsContact O-CG 3.3Å; L527-L531 WeakPolarHBondContact O-CG 3.46Å; L527-L531 PolarHBondContact O-N 3.46Å; L527-L556 HydrophobicContact CD1-CD1 4.07Å; L527-L556 HydrophobicContact CD1-CD2 4.09Å; L527-L556 HydrophobicContact CD1-CG 4.29Å; L527-V560 HydrophobicContact CD1-CG1 4.32Å; L527-V560 HydrophobicContact CD1-CG2 4.29Å; L527-V560 HydrophobicContact CD2-CG2 4.16Å; L527-L564 HydrophobicContact CD1-CD1 4.36Å; L527-L564 HydrophobicContact CD2-CD1 4.34Å; L527-Y569 HydrophobicContact CD2-CD2 3.85Å; L527-Y569 HydrophobicContact CD2-CE2 3.52Å; L527-Y569 HydrophobicContact CG-CD2 4.29Å; L527-Y569 HydrophobicContact CG-CE2 3.98Å |
| 528 | A | 97.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y526 D532 Y569 | Y526-A528 VanDerWaalsContact C-N 3.28Å; Y526-A528 PolarHBondContact O-N 3.42Å; Y526-A528 VanDerWaalsContact O-N 3.1Å; A528-D532 PolarHBondContact O-N 2.82Å; A528-Y569 HydrophobicContact CB-CE1 3.98Å |
| 529 | Y | 98.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 43.3 Ų | 43.3 | 37% | 0.373 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.3 | -37 | -179.6 | 177.9 | -126.2 | 0 | 0 | 0 | 112.2 | L494 Y526 L527 T533 | L494-Y529 HydrophobicContact CB-CE1 4.5Å; L494-Y529 HydrophobicContact CD1-CD1 3.53Å; L494-Y529 HydrophobicContact CD1-CE1 3.4Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.4Å; L494-Y529 HydrophobicContact CD1-CG 4.41Å; Y526-Y529 WeakPolarHBondContact O-CB 3.38Å; Y526-Y529 PolarHBondContact O-N 3.33Å; L527-Y529 VanDerWaalsContact C-N 3.34Å; L527-Y529 PolarHBondContact O-N 2.84Å; Y529-T533 PolarHBondContact O-N 3.25Å; Y529-T533 PolarHBondContact O-OG1 3Å |
| 530 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -52.7 | 174 | -62.5 | 169.2 | 0 | 0 | 0 | 109.4 | M490 L494 F512 L523 Y526 L527 D532 T533 L534 L556 | M490-I530 HydrophobicContact SD-CD1 4.13Å; M490-I530 HydrophobicContact SD-CG1 4.31Å; L494-I530 HydrophobicContact CD1-CG1 4.1Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; F512-I530 HydrophobicContact CE1-CG2 3.65Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 4.03Å; F512-I530 HydrophobicContact CZ-CG2 3.84Å; L523-I530 HydrophobicContact CB-CD1 4.06Å; L523-I530 HydrophobicContact CD1-CD1 4.44Å; L523-I530 HydrophobicContact CD2-CD1 4.31Å; Y526-I530 PolarHBondContact O-N 2.85Å; Y526-I530 VanDerWaalsContact O-N 3.15Å; L527-I530 PolarHBondContact O-N 2.77Å; I530-D532 PolarHBondContact O-N 3.09Å; I530-T533 WeakPolarHBondContact O-CB 3.49Å; I530-T533 PolarHBondContact O-N 2.97Å; I530-L534 HydrophobicContact CG2-CD1 3.97Å; I530-L534 HydrophobicContact CG2-CG 4.3Å; I530-L534 PolarHBondContact O-N 3.44Å; I530-L556 HydrophobicContact CG2-CD1 4.32Å; I530-L556 HydrophobicContact CG2-CD2 3.76Å |
| 531 | L | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | -179.7 | -73.3 | 170.6 | 0 | 0 | 0 | 113 | L527 T533 L534 V535 L556 L564 Y569 M572 L573 | L527-L531 HydrophobicContact CD1-CD1 4.07Å; L527-L531 HydrophobicContact CD1-CG 4.1Å; L527-L531 HydrophobicContact CG-CD1 3.96Å; L527-L531 HydrophobicContact CG-CG 4.44Å; L527-L531 WeakPolarHBondContact O-CB 3.45Å; L527-L531 VanDerWaalsContact O-CG 3.3Å; L527-L531 WeakPolarHBondContact O-CG 3.46Å; L527-L531 PolarHBondContact O-N 3.46Å; L531-T533 PolarHBondContact O-N 3.31Å; L531-L534 PolarHBondContact O-N 3.22Å; L531-V535 VanDerWaalsContact O-CB 3.23Å; L531-V535 WeakPolarHBondContact O-CB 3.4Å; L531-V535 VanDerWaalsContact O-CG2 3.23Å; L531-V535 WeakPolarHBondContact O-CG2 3.35Å; L531-V535 PolarHBondContact O-N 3.46Å; L531-L556 HydrophobicContact CD2-CD2 4.02Å; L531-L564 HydrophobicContact CD1-CD1 3.89Å; L531-L564 HydrophobicContact CD2-CD1 4.18Å; L531-Y569 HydrophobicContact CD1-CD1 3.52Å; L531-Y569 HydrophobicContact CD1-CD2 4.12Å; L531-Y569 HydrophobicContact CD1-CE1 4.32Å; L531-Y569 HydrophobicContact CD1-CG 3.45Å; L531-Y569 VanDerWaalsContact CD1-CG 3.45Å; L531-M572 HydrophobicContact CB-SD 3.96Å; L531-L573 HydrophobicContact CD2-CD2 4.41Å |
| 532 | D | 98.4 | Very high | 97.2 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.2 | -39.4 | 175 | -89 | -15.1 | 0 | 0 | 0 | 111.4 | A528 I530 F536 M572 | A528-D532 PolarHBondContact O-N 2.82Å; I530-D532 PolarHBondContact O-N 3.09Å; D532-F536 VanDerWaalsContact O-CB 3.31Å; D532-F536 WeakPolarHBondContact O-CB 3.39Å; D532-F536 PolarHBondContact O-N 3.42Å; D532-F536 VanDerWaalsContact O-N 3.12Å; D532-M572 WeakPolarHBondContact OD1-CE 3.39Å |
| 533 | T | 98.7 | Very high | 97 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -51.6 | -179.6 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | L494 I497 L498 Y529 I530 L531 V535 F536 A537 | L494-T533 HydrophobicContact CB-CG2 4.03Å; L494-T533 HydrophobicContact CD2-CG2 3.99Å; L494-T533 VanDerWaalsContact O-CG2 3.27Å; L494-T533 WeakPolarHBondContact O-CG2 3.31Å; I497-T533 HydrophobicContact CB-CG2 4.38Å; I497-T533 HydrophobicContact CG2-CG2 4.28Å; L498-T533 HydrophobicContact CD1-CG2 3.92Å; L498-T533 HydrophobicContact CD2-CG2 4.27Å; L498-T533 HydrophobicContact CG-CG2 3.83Å; Y529-T533 PolarHBondContact O-N 3.25Å; Y529-T533 PolarHBondContact O-OG1 3Å; I530-T533 WeakPolarHBondContact O-CB 3.49Å; I530-T533 PolarHBondContact O-N 2.97Å; L531-T533 PolarHBondContact O-N 3.31Å; T533-V535 VanDerWaalsContact C-N 3.33Å; T533-V535 PolarHBondContact O-N 3.24Å; T533-F536 PolarHBondContact O-N 3.05Å; T533-A537 PolarHBondContact O-N 3.37Å |
| 534 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | -179.8 | -61.4 | -178.1 | 0 | 0 | 0 | 111.5 | I497 I530 L531 F536 A537 L549 I553 L556 | I497-L534 HydrophobicContact CD1-CD2 3.89Å; I497-L534 HydrophobicContact CG2-CD2 4.42Å; I530-L534 HydrophobicContact CG2-CD1 3.97Å; I530-L534 HydrophobicContact CG2-CG 4.3Å; I530-L534 PolarHBondContact O-N 3.44Å; L531-L534 PolarHBondContact O-N 3.22Å; L534-F536 VanDerWaalsContact C-N 3.34Å; L534-F536 PolarHBondContact O-N 3.01Å; L534-A537 WeakPolarHBondContact O-CB 3.31Å; L534-A537 PolarHBondContact O-N 3.09Å; L534-L549 HydrophobicContact CB-CD1 4.16Å; L534-L549 HydrophobicContact CD2-CD1 3.86Å; L534-I553 HydrophobicContact CB-CG1 4.31Å; L534-I553 HydrophobicContact CD1-CG1 3.98Å; L534-L556 HydrophobicContact CD1-CD2 3.78Å |
| 535 | V | 98.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | L531 T533 A537 F538 M572 L573 P576 | L531-V535 VanDerWaalsContact O-CB 3.23Å; L531-V535 WeakPolarHBondContact O-CB 3.4Å; L531-V535 VanDerWaalsContact O-CG2 3.23Å; L531-V535 WeakPolarHBondContact O-CG2 3.35Å; L531-V535 PolarHBondContact O-N 3.46Å; T533-V535 VanDerWaalsContact C-N 3.33Å; T533-V535 PolarHBondContact O-N 3.24Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 2.85Å; V535-F538 PolarHBondContact O-N 2.68Å; V535-M572 HydrophobicContact CB-CG 4.19Å; V535-M572 HydrophobicContact CB-SD 4.29Å; V535-M572 HydrophobicContact CG1-CG 4.02Å; V535-M572 HydrophobicContact CG2-CG 3.9Å; V535-M572 HydrophobicContact CG2-SD 4.04Å; V535-L573 HydrophobicContact CG2-CD1 4.17Å; V535-P576 HydrophobicContact CG1-CG 4.38Å |
| 536 | F | 98.4 | Very high | 96.2 | Very high | 112 Ų | 112 | 35.9 Ų | 35.9 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.6 | -36 | 173.7 | -173.1 | -91.1 | 0 | 0 | 0 | 112 | L498 D532 T533 L534 F538 S539 K540 | L498-F536 HydrophobicContact CD1-CD1 3.73Å; L498-F536 HydrophobicContact CD1-CE1 4.34Å; L498-F536 HydrophobicContact CD1-CG 4.45Å; L498-F536 HydrophobicContact CD2-CD1 3.77Å; L498-F536 HydrophobicContact CG-CD1 4.37Å; D532-F536 VanDerWaalsContact O-CB 3.31Å; D532-F536 WeakPolarHBondContact O-CB 3.39Å; D532-F536 PolarHBondContact O-N 3.42Å; D532-F536 VanDerWaalsContact O-N 3.12Å; T533-F536 PolarHBondContact O-N 3.05Å; L534-F536 VanDerWaalsContact C-N 3.34Å; L534-F536 PolarHBondContact O-N 3.01Å; F536-F538 VanDerWaalsContact C-N 3.25Å; F536-F538 PolarHBondContact O-N 2.72Å; F536-S539 WeakPolarHBondContact O-CB 3.49Å; F536-S539 PolarHBondContact O-N 2.81Å; F536-S539 PolarHBondContact O-OG 2.93Å; F536-K540 HydrophobicContact CE1-CD 4.25Å |
| 537 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.1 | -33.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I497 L498 T533 L534 V535 S539 K540 Y541 L549 | I497-A537 HydrophobicContact CG2-CB 4.25Å; L498-A537 HydrophobicContact CD2-CB 3.99Å; T533-A537 PolarHBondContact O-N 3.37Å; L534-A537 WeakPolarHBondContact O-CB 3.31Å; L534-A537 PolarHBondContact O-N 3.09Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 2.85Å; A537-S539 PolarHBondContact O-N 3.47Å; A537-S539 VanDerWaalsContact O-N 3.09Å; A537-K540 PolarHBondContact O-N 2.68Å; A537-Y541 HydrophobicContact CB-CD1 4.09Å; A537-Y541 HydrophobicContact CB-CD2 4.34Å; A537-Y541 HydrophobicContact CB-CE1 3.98Å; A537-Y541 HydrophobicContact CB-CE2 4.26Å; A537-Y541 HydrophobicContact CB-CG 4.3Å; A537-Y541 WeakPolarHBondContact O-CB 3.49Å; A537-Y541 PolarHBondContact O-N 2.99Å; A537-L549 HydrophobicContact CB-CD1 3.98Å; A537-L549 HydrophobicContact CB-CD2 3.76Å |
| 538 | F | 97 | Very high | 95.6 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31 | 173 | -80.3 | -68.5 | 0 | 0 | 0 | 114.3 | V535 F536 L546 L549 Y550 I553 P576 L577 | V535-F538 PolarHBondContact O-N 2.68Å; F536-F538 VanDerWaalsContact C-N 3.25Å; F536-F538 PolarHBondContact O-N 2.72Å; F538-L546 HydrophobicContact CD1-CD2 3.65Å; F538-L546 HydrophobicContact CE1-CD2 3.99Å; F538-L549 HydrophobicContact CD1-CD2 3.92Å; F538-L549 HydrophobicContact CD2-CD2 4.15Å; F538-L549 HydrophobicContact CE1-CD2 3.97Å; F538-L549 HydrophobicContact CE2-CD2 4.25Å; F538-L549 HydrophobicContact CG-CD2 3.97Å; F538-L549 HydrophobicContact CZ-CD2 4.15Å; F538-L549 HydrophobicContact CZ-CG 4.46Å; F538-Y550 HydrophobicContact CE1-CD1 4.11Å; F538-Y550 AromaticContact CE1-CE1 3.53Å; F538-Y550 HydrophobicContact CE1-CE1 3.53Å; F538-Y550 HydrophobicContact CZ-CD1 4.3Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; F538-I553 HydrophobicContact CE2-CD1 3.41Å; F538-I553 VanDerWaalsContact CE2-CD1 3.41Å; F538-I553 HydrophobicContact CZ-CD1 3.41Å; F538-I553 VanDerWaalsContact CZ-CD1 3.41Å; F538-P576 HydrophobicContact CB-CB 4.05Å; F538-P576 HydrophobicContact CD1-CB 4.22Å; F538-P576 HydrophobicContact CD2-CB 3.58Å; F538-P576 HydrophobicContact CD2-CG 3.73Å; F538-P576 HydrophobicContact CE2-CB 4.05Å; F538-P576 HydrophobicContact CE2-CG 3.96Å; F538-P576 HydrophobicContact CG-CB 3.68Å; F538-P576 HydrophobicContact CG-CG 4.35Å; F538-L577 HydrophobicContact CE1-CD2 4.38Å; F538-L577 HydrophobicContact CZ-CD2 3.72Å; F538-L577 HydrophobicContact CZ-CG 4.32Å |
| 539 | S | 95.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 33.2 Ų | 33.2 | 64% | 0.636 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.3 | 180 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | F536 A537 | F536-S539 WeakPolarHBondContact O-CB 3.49Å; F536-S539 PolarHBondContact O-N 2.81Å; F536-S539 PolarHBondContact O-OG 2.93Å; A537-S539 PolarHBondContact O-N 3.47Å; A537-S539 VanDerWaalsContact O-N 3.09Å |
| 540 | K | 95.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 29 Ų | 29 | 18% | 0.183 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -38.3 | -171 | -178.5 | 169.4 | 173.9 | 146.1 | 0 | 112.6 | E334 L498 D499 F536 A537 | E334-K540 WeakPolarHBondContact OE2-CE 3.48Å; E334-K540 IonicContact OE2-NZ 3.38Å; E334-K540 PolarHBondContact OE2-NZ 2.93Å; L498-K540 HydrophobicContact CD2-CD 4.48Å; L498-K540 WeakPolarHBondContact O-CE 3.21Å; L498-K540 PolarHBondContact O-NZ 3.14Å; D499-K540 WeakPolarHBondContact O-CE 3.42Å; D499-K540 PolarHBondContact O-NZ 3.05Å; F536-K540 HydrophobicContact CE1-CD 4.25Å; A537-K540 PolarHBondContact O-N 2.68Å |
| 541 | Y | 96.3 | Very high | 95 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | trans | -69.7 | 139.8 | -175 | -79.2 | 13.7 | 0 | 0 | 0 | 111.9 | I497 Q505 A537 N545 L546 L549 | I497-Y541 VanDerWaalsContact CG2-OH 3.29Å; I497-Y541 WeakPolarHBondContact CG2-OH 3.23Å; I497-Y541 WeakPolarHBondContact O-CE1 3.24Å; I497-Y541 PolarHBondContact O-OH 2.98Å; Q505-Y541 HydrophobicContact CB-CE1 3.78Å; Q505-Y541 HydrophobicContact CG-CD1 4.46Å; Q505-Y541 HydrophobicContact CG-CE1 3.74Å; Q505-Y541 PolarHBondContact O-OH 3.02Å; A537-Y541 HydrophobicContact CB-CD1 4.09Å; A537-Y541 HydrophobicContact CB-CD2 4.34Å; A537-Y541 HydrophobicContact CB-CE1 3.98Å; A537-Y541 HydrophobicContact CB-CE2 4.26Å; A537-Y541 HydrophobicContact CB-CG 4.3Å; A537-Y541 WeakPolarHBondContact O-CB 3.49Å; A537-Y541 PolarHBondContact O-N 2.99Å; Y541-N545 VanDerWaalsContact CD2-C 3.44Å; Y541-N545 HydrophobicContact CD2-CB 3.59Å; Y541-N545 WeakPolarHBondContact CD2-O 3.46Å; Y541-N545 HydrophobicContact CE2-CB 3.89Å; Y541-N545 WeakPolarHBondContact CE2-O 3.34Å; Y541-N545 HydrophobicContact CG-CB 3.9Å; Y541-L546 WeakPolarHBondContact O-CD1 3.45Å; Y541-L549 HydrophobicContact CD2-CB 3.84Å; Y541-L549 HydrophobicContact CD2-CD2 4.01Å; Y541-L549 HydrophobicContact CD2-CG 4.43Å; Y541-L549 HydrophobicContact CE2-CB 3.94Å; Y541-L549 HydrophobicContact CE2-CD1 4.45Å; Y541-L549 HydrophobicContact CE2-CD2 4.46Å | ||
| 542 | Q | 93.3 | Very high | 94.8 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | trans | -83.7 | 179 | 165.9 | -58.5 | -57.1 | -38.5 | 0 | 0 | 110 | E334 D338 K502 K544 N545 L546 | E334-Q542 WeakPolarHBondContact O-CG 3.49Å; E334-Q542 PolarHBondContact O-NE2 3.34Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.35Å; K502-Q542 HydrophobicContact CD-CB 4.33Å; K502-Q542 HydrophobicContact CD-CG 4.14Å; Q542-K544 PolarHBondContact O-N 3.43Å; Q542-N545 PolarHBondContact O-N 3.05Å; Q542-L546 WeakPolarHBondContact O-CB 3.14Å; Q542-L546 WeakPolarHBondContact O-CD1 3.34Å; Q542-L546 PolarHBondContact O-N 3.12Å | ||
| 543 | H | 89.9 | Confident | 94.8 | Very high | 68 Ų | 68 | 26.9 Ų | 26.9 | 32% | 0.315 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -49.5 | -53 | -171.8 | -165.9 | 119.6 | 0 | 0 | 0 | 113.4 | D338 I343 N545 L546 D590 | D338-H543 HydrophobicContact CB-CB 4.34Å; D338-H543 PolarHBondContact OD2-N 2.94Å; I343-H543 HydrophobicContact CD1-CB 4.12Å; I343-H543 VanDerWaalsContact CD1-CD2 3.43Å; I343-H543 WeakPolarHBondContact CD1-CD2 3.44Å; H543-N545 PolarHBondContact O-N 3.13Å; H543-L546 WeakPolarHBondContact O-CB 3.22Å; H543-L546 PolarHBondContact O-N 3.4Å; H543-D590 IonicContact CD2-OD1 3.07Å; H543-D590 IonicContact CD2-OD2 2.85Å; H543-D590 IonicContact CE1-OD1 3.83Å; H543-D590 IonicContact CE1-OD2 2.65Å; H543-D590 PolarHBondContact CE1-OD2 3.31Å; H543-D590 IonicContact ND1-OD2 3.24Å; H543-D590 IonicContact NE2-OD1 3.67Å; H543-D590 PolarHBondContact NE2-OD1 2.97Å; H543-D590 IonicContact NE2-OD2 2.7Å; H543-D590 PolarHBondContact NE2-OD2 3.36Å |
| 544 | K | 87.8 | Confident | 94.7 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -52.1 | -173.7 | -171 | -168.6 | -179.7 | -155.8 | 0 | 111.3 | D338 D376 E506 Q542 L546 L547 | D338-K544 WeakPolarHBondContact OD2-CB 3.37Å; D338-K544 PolarHBondContact OD2-N 3.42Å; D376-K544 IonicContact OD1-NZ 3.85Å; E506-K544 WeakPolarHBondContact OE1-CE 3.4Å; E506-K544 IonicContact OE1-NZ 3.83Å; E506-K544 PolarHBondContact OE1-NZ 3.1Å; E506-K544 IonicContact OE2-NZ 3.24Å; E506-K544 PolarHBondContact OE2-NZ 2.75Å; Q542-K544 PolarHBondContact O-N 3.43Å; K544-L546 VanDerWaalsContact C-N 3.3Å; K544-L546 PolarHBondContact O-N 3.19Å; K544-L547 WeakPolarHBondContact O-CB 3.1Å; K544-L547 PolarHBondContact O-N 2.89Å |
| 545 | N | 91.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.3 | -23.4 | -175.2 | -64.9 | -3 | 0 | 0 | 0 | 112.5 | K502 Q505 Y541 Q542 H543 L547 I548 L549 | K502-N545 PolarHBondContact O-ND2 3.25Å; Q505-N545 WeakPolarHBondContact CB-ND2 2.81Å; Q505-N545 PolarHBondContact OE1-ND2 2.9Å; Y541-N545 VanDerWaalsContact CD2-C 3.44Å; Y541-N545 HydrophobicContact CD2-CB 3.59Å; Y541-N545 WeakPolarHBondContact CD2-O 3.46Å; Y541-N545 HydrophobicContact CE2-CB 3.89Å; Y541-N545 WeakPolarHBondContact CE2-O 3.34Å; Y541-N545 HydrophobicContact CG-CB 3.9Å; Q542-N545 PolarHBondContact O-N 3.05Å; H543-N545 PolarHBondContact O-N 3.13Å; N545-L547 PolarHBondContact O-N 3.02Å; N545-I548 PolarHBondContact O-N 3.2Å; N545-L549 PolarHBondContact O-N 3.11Å |
| 546 | L | 94.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -33.3 | 171.6 | -101.9 | 151.7 | 0 | 0 | 0 | 112.1 | F538 Y541 Q542 H543 K544 L549 Y550 K580 | F538-L546 HydrophobicContact CD1-CD2 3.65Å; F538-L546 HydrophobicContact CE1-CD2 3.99Å; Y541-L546 WeakPolarHBondContact O-CD1 3.45Å; Q542-L546 WeakPolarHBondContact O-CB 3.14Å; Q542-L546 WeakPolarHBondContact O-CD1 3.34Å; Q542-L546 PolarHBondContact O-N 3.12Å; H543-L546 WeakPolarHBondContact O-CB 3.22Å; H543-L546 PolarHBondContact O-N 3.4Å; K544-L546 VanDerWaalsContact C-N 3.3Å; K544-L546 PolarHBondContact O-N 3.19Å; L546-L549 PolarHBondContact O-N 3.06Å; L546-Y550 WeakPolarHBondContact O-CD2 3.38Å; L546-Y550 WeakPolarHBondContact O-CE2 3.44Å; L546-Y550 PolarHBondContact O-N 3.28Å; L546-K580 VanDerWaalsContact CD1-NZ 3.27Å |
| 547 | L | 91.5 | Very high | 94.3 | Very high | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.073 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 176.9 | -52.5 | -179.1 | 0 | 0 | 0 | 110.8 | K544 N545 L549 Y550 D551 D590 P593 | K544-L547 WeakPolarHBondContact O-CB 3.1Å; K544-L547 PolarHBondContact O-N 2.89Å; N545-L547 PolarHBondContact O-N 3.02Å; L547-L549 VanDerWaalsContact C-N 3.25Å; L547-L549 PolarHBondContact O-N 3.14Å; L547-Y550 HydrophobicContact CD2-CD2 4.47Å; L547-Y550 HydrophobicContact CD2-CE2 4.39Å; L547-Y550 WeakPolarHBondContact O-CB 3.46Å; L547-Y550 PolarHBondContact O-N 3.43Å; L547-Y550 VanDerWaalsContact O-N 3.12Å; L547-D551 PolarHBondContact O-N 3.15Å; L547-D590 HydrophobicContact CD2-CB 4.25Å; L547-P593 HydrophobicContact CB-CG 4.23Å; L547-P593 HydrophobicContact CD2-CG 3.75Å; L547-P593 HydrophobicContact CG-CG 4.48Å |
| 548 | I | 91.1 | Very high | 94 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -33.1 | 176 | -47.2 | -61.6 | 0 | 0 | 0 | 112 | R346 C509 N545 Y550 D551 A552 | R346-I548 VanDerWaalsContact NH2-CD1 3.31Å; C509-I548 HydrophobicContact CB-CG2 3.8Å; N545-I548 PolarHBondContact O-N 3.2Å; I548-Y550 VanDerWaalsContact C-N 3.33Å; I548-D551 PolarHBondContact O-N 2.8Å; I548-A552 PolarHBondContact O-N 3.3Å |
| 549 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -35 | 176.6 | -178.8 | 63.1 | 0 | 0 | 0 | 112.3 | L534 A537 F538 Y541 N545 L546 L547 I553 | L534-L549 HydrophobicContact CB-CD1 4.16Å; L534-L549 HydrophobicContact CD2-CD1 3.86Å; A537-L549 HydrophobicContact CB-CD1 3.98Å; A537-L549 HydrophobicContact CB-CD2 3.76Å; F538-L549 HydrophobicContact CD1-CD2 3.92Å; F538-L549 HydrophobicContact CD2-CD2 4.15Å; F538-L549 HydrophobicContact CE1-CD2 3.97Å; F538-L549 HydrophobicContact CE2-CD2 4.25Å; F538-L549 HydrophobicContact CG-CD2 3.97Å; F538-L549 HydrophobicContact CZ-CD2 4.15Å; F538-L549 HydrophobicContact CZ-CG 4.46Å; Y541-L549 HydrophobicContact CD2-CB 3.84Å; Y541-L549 HydrophobicContact CD2-CD2 4.01Å; Y541-L549 HydrophobicContact CD2-CG 4.43Å; Y541-L549 HydrophobicContact CE2-CB 3.94Å; Y541-L549 HydrophobicContact CE2-CD1 4.45Å; Y541-L549 HydrophobicContact CE2-CD2 4.46Å; N545-L549 PolarHBondContact O-N 3.11Å; L546-L549 PolarHBondContact O-N 3.06Å; L547-L549 VanDerWaalsContact C-N 3.25Å; L547-L549 PolarHBondContact O-N 3.14Å; L549-I553 HydrophobicContact CD1-CD1 4.2Å; L549-I553 HydrophobicContact CD1-CG1 4.46Å; L549-I553 HydrophobicContact CG-CD1 4.02Å; L549-I553 WeakPolarHBondContact O-CD1 3.46Å; L549-I553 VanDerWaalsContact O-CG1 3.27Å; L549-I553 WeakPolarHBondContact O-CG1 3.3Å; L549-I553 PolarHBondContact O-N 2.96Å; L549-I553 VanDerWaalsContact O-N 3.09Å |
| 550 | Y | 96.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 174.2 | -63.4 | -48.9 | 0 | 0 | 0 | 110.9 | F538 L546 L547 I548 I553 G554 L577 K580 P593 L594 C597 | F538-Y550 HydrophobicContact CE1-CD1 4.11Å; F538-Y550 AromaticContact CE1-CE1 3.53Å; F538-Y550 HydrophobicContact CE1-CE1 3.53Å; F538-Y550 HydrophobicContact CZ-CD1 4.3Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; L546-Y550 WeakPolarHBondContact O-CD2 3.38Å; L546-Y550 WeakPolarHBondContact O-CE2 3.44Å; L546-Y550 PolarHBondContact O-N 3.28Å; L547-Y550 HydrophobicContact CD2-CD2 4.47Å; L547-Y550 HydrophobicContact CD2-CE2 4.39Å; L547-Y550 WeakPolarHBondContact O-CB 3.46Å; L547-Y550 PolarHBondContact O-N 3.43Å; L547-Y550 VanDerWaalsContact O-N 3.12Å; I548-Y550 VanDerWaalsContact C-N 3.33Å; Y550-I553 PolarHBondContact O-N 3.19Å; Y550-G554 PolarHBondContact O-N 3.09Å; Y550-L577 HydrophobicContact CD1-CD2 4.05Å; Y550-L577 HydrophobicContact CE1-CD2 4.05Å; Y550-K580 VanDerWaalsContact OH-CB 3.28Å; Y550-K580 WeakPolarHBondContact OH-CB 3.3Å; Y550-K580 WeakPolarHBondContact OH-CD 3.17Å; Y550-K580 WeakPolarHBondContact OH-CG 3.26Å; Y550-P593 WeakPolarHBondContact CB-O 3.4Å; Y550-P593 HydrophobicContact CD2-CB 4.13Å; Y550-P593 HydrophobicContact CD2-CG 4.21Å; Y550-L594 HydrophobicContact CD1-CD1 3.92Å; Y550-L594 HydrophobicContact CD2-CB 4.32Å; Y550-L594 HydrophobicContact CE1-CD1 3.58Å; Y550-L594 HydrophobicContact CE2-CB 4.27Å; Y550-C597 WeakPolarHBondContact O-CB 3.43Å; Y550-C597 PolarHBondContact O-SG 3.09Å |
| 551 | D | 89.3 | Confident | 93.6 | Very high | 45 Ų | 45 | 20.1 Ų | 20.1 | 24% | 0.241 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59 | -52 | 178.9 | -53.5 | -19.7 | 0 | 0 | 0 | 109.8 | R346 L547 I548 I553 G554 T555 P593 | R346-D551 IonicContact CZ-OD2 3.81Å; R346-D551 VanDerWaalsContact CZ-OD2 3.23Å; R346-D551 IonicContact NH1-OD1 3.05Å; R346-D551 IonicContact NH1-OD2 2.73Å; R346-D551 PolarHBondContact NH1-OD2 3.04Å; R346-D551 IonicContact NH2-OD2 3.24Å; R346-D551 PolarHBondContact NH2-OD2 3.41Å; L547-D551 PolarHBondContact O-N 3.15Å; I548-D551 PolarHBondContact O-N 2.8Å; D551-I553 VanDerWaalsContact C-N 3.33Å; D551-I553 PolarHBondContact O-N 2.98Å; D551-G554 WeakPolarHBondContact O-CA 3.01Å; D551-G554 PolarHBondContact O-N 3.33Å; D551-T555 PolarHBondContact O-N 3.21Å; D551-T555 PolarHBondContact O-OG1 3.18Å; D551-P593 WeakPolarHBondContact OD1-CB 3.28Å |
| 552 | A | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A513 I548 G554 L556 | A513-A552 HydrophobicContact CB-CB 4.33Å; I548-A552 PolarHBondContact O-N 3.3Å; A552-G554 VanDerWaalsContact C-N 3.34Å; A552-L556 WeakPolarHBondContact O-CB 3.33Å; A552-L556 PolarHBondContact O-N 3.12Å |
| 553 | I | 98.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 175.7 | -69.6 | 165.8 | 0 | 0 | 0 | 111.4 | L534 F538 L549 Y550 D551 A557 L573 C597 V601 | L534-I553 HydrophobicContact CB-CG1 4.31Å; L534-I553 HydrophobicContact CD1-CG1 3.98Å; F538-I553 HydrophobicContact CE2-CD1 3.41Å; F538-I553 VanDerWaalsContact CE2-CD1 3.41Å; F538-I553 HydrophobicContact CZ-CD1 3.41Å; F538-I553 VanDerWaalsContact CZ-CD1 3.41Å; L549-I553 HydrophobicContact CD1-CD1 4.2Å; L549-I553 HydrophobicContact CD1-CG1 4.46Å; L549-I553 HydrophobicContact CG-CD1 4.02Å; L549-I553 WeakPolarHBondContact O-CD1 3.46Å; L549-I553 VanDerWaalsContact O-CG1 3.27Å; L549-I553 WeakPolarHBondContact O-CG1 3.3Å; L549-I553 PolarHBondContact O-N 2.96Å; L549-I553 VanDerWaalsContact O-N 3.09Å; Y550-I553 PolarHBondContact O-N 3.19Å; D551-I553 VanDerWaalsContact C-N 3.33Å; D551-I553 PolarHBondContact O-N 2.98Å; I553-A557 WeakPolarHBondContact O-CB 3.46Å; I553-A557 PolarHBondContact O-N 3.16Å; I553-L573 HydrophobicContact CD1-CD1 4.12Å; I553-L573 HydrophobicContact CG2-CD1 3.95Å; I553-L573 HydrophobicContact CG2-CD2 4.13Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; I553-V601 HydrophobicContact CG2-CG2 4.02Å |
| 554 | G | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.7 | -53.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | Y550 D551 A552 L556 A557 D558 S600 | Y550-G554 PolarHBondContact O-N 3.09Å; D551-G554 WeakPolarHBondContact O-CA 3.01Å; D551-G554 PolarHBondContact O-N 3.33Å; A552-G554 VanDerWaalsContact C-N 3.34Å; G554-L556 VanDerWaalsContact C-N 3.34Å; G554-L556 PolarHBondContact O-N 3.32Å; G554-A557 WeakPolarHBondContact O-CA 3.33Å; G554-A557 WeakPolarHBondContact O-CB 3.41Å; G554-A557 PolarHBondContact O-N 2.88Å; G554-D558 PolarHBondContact O-N 3Å; G554-S600 WeakPolarHBondContact O-CB 3.26Å |
| 555 | T | 93.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -45 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | A513 E516 E517 D551 A557 D558 S559 | A513-T555 HydrophobicContact CB-CG2 4.49Å; E516-T555 HydrophobicContact CB-CG2 3.91Å; E517-T555 HydrophobicContact CG-CG2 3.5Å; E517-T555 WeakPolarHBondContact OE1-CG2 3.24Å; D551-T555 PolarHBondContact O-N 3.21Å; D551-T555 PolarHBondContact O-OG1 3.18Å; T555-A557 VanDerWaalsContact C-N 3.31Å; T555-A557 PolarHBondContact O-N 3.44Å; T555-D558 PolarHBondContact O-N 3.46Å; T555-S559 VanDerWaalsContact O-CB 3.24Å; T555-S559 WeakPolarHBondContact O-CB 3.49Å; T555-S559 PolarHBondContact O-N 2.8Å; T555-S559 PolarHBondContact O-OG 2.76Å |
| 556 | L | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 173.7 | -177.7 | 59.1 | 0 | 0 | 0 | 112 | E516 L523 L527 I530 L531 L534 A552 G554 S559 V560 | E516-L556 HydrophobicContact CG-CD1 4.32Å; E516-L556 WeakPolarHBondContact OE1-CB 3.29Å; E516-L556 WeakPolarHBondContact OE1-CD1 3.39Å; L523-L556 HydrophobicContact CD1-CD1 4.43Å; L527-L556 HydrophobicContact CD1-CD1 4.07Å; L527-L556 HydrophobicContact CD1-CD2 4.09Å; L527-L556 HydrophobicContact CD1-CG 4.29Å; I530-L556 HydrophobicContact CG2-CD1 4.32Å; I530-L556 HydrophobicContact CG2-CD2 3.76Å; L531-L556 HydrophobicContact CD2-CD2 4.02Å; L534-L556 HydrophobicContact CD1-CD2 3.78Å; A552-L556 WeakPolarHBondContact O-CB 3.33Å; A552-L556 PolarHBondContact O-N 3.12Å; G554-L556 VanDerWaalsContact C-N 3.34Å; G554-L556 PolarHBondContact O-N 3.32Å; L556-S559 PolarHBondContact O-N 3.12Å; L556-V560 HydrophobicContact CD1-CG1 3.86Å; L556-V560 WeakPolarHBondContact O-CG2 3.5Å; L556-V560 PolarHBondContact O-N 3.16Å |
| 557 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I553 G554 T555 G561 L564 V601 A604 | I553-A557 WeakPolarHBondContact O-CB 3.46Å; I553-A557 PolarHBondContact O-N 3.16Å; G554-A557 WeakPolarHBondContact O-CA 3.33Å; G554-A557 WeakPolarHBondContact O-CB 3.41Å; G554-A557 PolarHBondContact O-N 2.88Å; T555-A557 VanDerWaalsContact C-N 3.31Å; T555-A557 PolarHBondContact O-N 3.44Å; A557-G561 VanDerWaalsContact O-CA 3.25Å; A557-G561 WeakPolarHBondContact O-CA 3.48Å; A557-G561 PolarHBondContact O-N 3.49Å; A557-L564 HydrophobicContact CB-CD2 3.89Å; A557-V601 HydrophobicContact CB-CG2 3.98Å; A557-A604 HydrophobicContact CB-CB 3.97Å; A557-A604 WeakPolarHBondContact O-CB 3.26Å |
| 558 | D | 91.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 36.5 Ų | 36.5 | 52% | 0.524 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.7 | -68.2 | -31.6 | 0 | 0 | 0 | 111.5 | G554 T555 S600 | G554-D558 PolarHBondContact O-N 3Å; T555-D558 PolarHBondContact O-N 3.46Å; D558-S600 VanDerWaalsContact CG-OG 3.31Å; D558-S600 WeakPolarHBondContact OD1-CB 3.49Å; D558-S600 PolarHBondContact OD1-OG 2.87Å; D558-S600 VanDerWaalsContact OD2-CB 3.29Å; D558-S600 WeakPolarHBondContact OD2-CB 3.39Å; D558-S600 PolarHBondContact OD2-OG 3.46Å |
| 559 | S | 90.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | -179.5 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | E516 C520 T555 L556 | E516-S559 PolarHBondContact O-OG 3.36Å; E516-S559 VanDerWaalsContact O-OG 3.06Å; C520-S559 CarbonylContact C-O 3.58Å; T555-S559 VanDerWaalsContact O-CB 3.24Å; T555-S559 WeakPolarHBondContact O-CB 3.49Å; T555-S559 PolarHBondContact O-N 2.8Å; T555-S559 PolarHBondContact O-OG 2.76Å; L556-S559 PolarHBondContact O-N 3.12Å |
| 560 | V | 94.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -94 | -16.9 | -178 | -51.6 | 0 | 0 | 0 | 0 | 113.3 | L523 V524 L527 L556 H562 H563 L564 | L523-V560 HydrophobicContact CB-CG1 4.39Å; V524-V560 HydrophobicContact CG2-CB 4.15Å; V524-V560 HydrophobicContact CG2-CG1 4.25Å; L527-V560 HydrophobicContact CD1-CG1 4.32Å; L527-V560 HydrophobicContact CD1-CG2 4.29Å; L527-V560 HydrophobicContact CD2-CG2 4.16Å; L556-V560 HydrophobicContact CD1-CG1 3.86Å; L556-V560 WeakPolarHBondContact O-CG2 3.5Å; L556-V560 PolarHBondContact O-N 3.16Å; V560-H562 PolarHBondContact O-N 2.89Å; V560-H563 HydrophobicContact CB-CB 4.42Å; V560-H563 WeakPolarHBondContact O-CB 3.5Å; V560-H563 PolarHBondContact O-N 3.12Å; V560-H563 PolarHBondContact O-ND1 2.88Å; V560-L564 HydrophobicContact CG2-CB 3.93Å |
| 561 | G | 94.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | 50.1 | -132.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A557 H563 L564 | A557-G561 VanDerWaalsContact O-CA 3.25Å; A557-G561 WeakPolarHBondContact O-CA 3.48Å; A557-G561 PolarHBondContact O-N 3.49Å; G561-H563 PolarHBondContact O-N 2.76Å; G561-L564 WeakPolarHBondContact O-CB 3.3Å; G561-L564 PolarHBondContact O-N 2.67Å |
| 562 | H | 95 | Very high | 95.9 | Very high | 118 Ų | 118 | 43.9 Ų | 43.9 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.7 | -13 | -175.5 | 70.1 | -79.6 | 0 | 0 | 0 | 115.3 | V560 L564 N565 A604 | V560-H562 PolarHBondContact O-N 2.89Å; H562-L564 PolarHBondContact O-N 2.64Å; H562-N565 VanDerWaalsContact O-CB 3.3Å; H562-N565 WeakPolarHBondContact O-CB 3.27Å; H562-N565 PolarHBondContact O-N 3.32Å; H562-A604 WeakPolarHBondContact CA-O 3.26Å |
| 563 | H | 97 | Very high | 96.1 | Very high | 65 Ų | 65 | 44 Ų | 44 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -64.3 | -22.3 | 173.3 | -61.5 | 96.6 | 0 | 0 | 0 | 112.7 | V524 V560 G561 N565 | V524-H563 HydrophobicContact CG1-CB 4.09Å; V524-H563 HydrophobicContact CG2-CB 3.91Å; V560-H563 HydrophobicContact CB-CB 4.42Å; V560-H563 WeakPolarHBondContact O-CB 3.5Å; V560-H563 PolarHBondContact O-N 3.12Å; V560-H563 PolarHBondContact O-ND1 2.88Å; G561-H563 PolarHBondContact O-N 2.76Å; H563-N565 PolarHBondContact O-N 3.36Å |
| 564 | L | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -69.3 | -21.3 | 173.8 | -167.3 | 61.9 | 0 | 0 | 0 | 112.7 | L527 L531 A557 V560 G561 H562 K566 Y569 L573 A604 L605 | L527-L564 HydrophobicContact CD1-CD1 4.36Å; L527-L564 HydrophobicContact CD2-CD1 4.34Å; L531-L564 HydrophobicContact CD1-CD1 3.89Å; L531-L564 HydrophobicContact CD2-CD1 4.18Å; A557-L564 HydrophobicContact CB-CD2 3.89Å; V560-L564 HydrophobicContact CG2-CB 3.93Å; G561-L564 WeakPolarHBondContact O-CB 3.3Å; G561-L564 PolarHBondContact O-N 2.67Å; H562-L564 PolarHBondContact O-N 2.64Å; L564-K566 PolarHBondContact O-N 3.13Å; L564-Y569 HydrophobicContact CD1-CD2 4.46Å; L564-L573 HydrophobicContact CD2-CD2 4.33Å; L564-A604 HydrophobicContact CB-CB 4.43Å; L564-A604 HydrophobicContact CD2-CB 4.22Å; L564-L605 HydrophobicContact CB-CD2 4.23Å; L564-L605 HydrophobicContact CD2-CD2 4.25Å; L564-L605 HydrophobicContact CG-CD2 3.9Å; L564-L605 WeakPolarHBondContact O-CD2 3.38Å |
| 565 | N | 97.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | trans | -76.2 | 64.7 | -177.4 | -169.7 | 9 | 0 | 0 | 0 | 112.8 | H562 H563 L605 | H562-N565 VanDerWaalsContact O-CB 3.3Å; H562-N565 WeakPolarHBondContact O-CB 3.27Å; H562-N565 PolarHBondContact O-N 3.32Å; H563-N565 PolarHBondContact O-N 3.36Å; N565-L605 HydrophobicContact CB-CD2 4.37Å; N565-L605 PolarHBondContact ND2-O 2.73Å; N565-L605 PolarHBondContact OD1-O 3.49Å | ||
| 566 | K | 97.7 | Very high | 96.4 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | trans | -123.8 | 141.7 | 171.3 | -59 | -170.2 | -162.6 | 161.6 | 0 | 110.6 | L564 E568 Y569 I570 | L564-K566 PolarHBondContact O-N 3.13Å; K566-E568 HydrophobicContact CB-CG 4.06Å; K566-E568 PolarHBondContact O-N 2.99Å; K566-E568 VanDerWaalsContact O-N 3.12Å; K566-Y569 HydrophobicContact CB-CD2 3.79Å; K566-Y569 HydrophobicContact CB-CE2 4.05Å; K566-Y569 HydrophobicContact CB-CG 4.3Å; K566-Y569 HydrophobicContact CD-CD2 4.12Å; K566-Y569 HydrophobicContact CD-CE2 3.51Å; K566-Y569 HydrophobicContact CG-CD2 4.05Å; K566-Y569 HydrophobicContact CG-CE2 3.94Å; K566-Y569 PolarHBondContact NZ-OH 3.38Å; K566-Y569 PolarHBondContact O-N 3.26Å; K566-Y569 VanDerWaalsContact O-N 3.08Å; K566-I570 WeakPolarHBondContact O-CG1 3.33Å; K566-I570 PolarHBondContact O-N 2.99Å | ||
| 567 | P | 97.4 | Very high | 96.4 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -54.1 | -37.2 | -178 | -27.9 | 34.9 | 0 | 0 | 0 | 114.2 | Q571 | P567-Q571 VanDerWaalsContact O-CB 3.27Å; P567-Q571 WeakPolarHBondContact O-CB 3.34Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 2.85Å |
| 568 | E | 97.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 48.7 Ų | 48.7 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.6 | 56.8 | -172.3 | -166.9 | 0 | 0 | 112.9 | K566 M572 | K566-E568 HydrophobicContact CB-CG 4.06Å; K566-E568 PolarHBondContact O-N 2.99Å; K566-E568 VanDerWaalsContact O-N 3.12Å; E568-M572 PolarHBondContact O-N 2.99Å |
| 569 | Y | 98.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.9 | -43.4 | 179.9 | -56.3 | -25.1 | 0 | 0 | 0 | 111.2 | L527 A528 L531 L564 K566 Q571 M572 L573 | L527-Y569 HydrophobicContact CD2-CD2 3.85Å; L527-Y569 HydrophobicContact CD2-CE2 3.52Å; L527-Y569 HydrophobicContact CG-CD2 4.29Å; L527-Y569 HydrophobicContact CG-CE2 3.98Å; A528-Y569 HydrophobicContact CB-CE1 3.98Å; L531-Y569 HydrophobicContact CD1-CD1 3.52Å; L531-Y569 HydrophobicContact CD1-CD2 4.12Å; L531-Y569 HydrophobicContact CD1-CE1 4.32Å; L531-Y569 HydrophobicContact CD1-CG 3.45Å; L531-Y569 VanDerWaalsContact CD1-CG 3.45Å; L564-Y569 HydrophobicContact CD1-CD2 4.46Å; K566-Y569 HydrophobicContact CB-CD2 3.79Å; K566-Y569 HydrophobicContact CB-CE2 4.05Å; K566-Y569 HydrophobicContact CB-CG 4.3Å; K566-Y569 HydrophobicContact CD-CD2 4.12Å; K566-Y569 HydrophobicContact CD-CE2 3.51Å; K566-Y569 HydrophobicContact CG-CD2 4.05Å; K566-Y569 HydrophobicContact CG-CE2 3.94Å; K566-Y569 PolarHBondContact NZ-OH 3.38Å; K566-Y569 PolarHBondContact O-N 3.26Å; K566-Y569 VanDerWaalsContact O-N 3.08Å; Y569-Q571 VanDerWaalsContact C-N 3.35Å; Y569-Q571 PolarHBondContact O-N 3.07Å; Y569-M572 PolarHBondContact O-N 3.37Å; Y569-M572 VanDerWaalsContact O-N 3.14Å; Y569-L573 WeakPolarHBondContact O-CB 3.34Å; Y569-L573 PolarHBondContact O-N 2.89Å |
| 570 | I | 97.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 178.3 | -61.9 | 168.7 | 0 | 0 | 0 | 111 | K566 M572 L573 M574 L605 Y612 | K566-I570 WeakPolarHBondContact O-CG1 3.33Å; K566-I570 PolarHBondContact O-N 2.99Å; I570-M572 PolarHBondContact O-N 2.92Å; I570-L573 PolarHBondContact O-N 3.27Å; I570-M574 HydrophobicContact CG2-CG 3.8Å; I570-M574 WeakPolarHBondContact O-CB 3.41Å; I570-M574 WeakPolarHBondContact O-CG 3.44Å; I570-M574 PolarHBondContact O-N 3.09Å; I570-L605 HydrophobicContact CD1-CD2 3.97Å; I570-L605 HydrophobicContact CG1-CD1 3.97Å; I570-L605 HydrophobicContact CG1-CD2 3.56Å; I570-L605 HydrophobicContact CG1-CG 4.39Å; I570-L605 HydrophobicContact CG2-CD1 4.48Å; I570-Y612 HydrophobicContact CG2-CE2 3.91Å |
| 571 | Q | 96.3 | Very high | 96.7 | Very high | 140 Ų | 140 | 52 Ų | 52 | 65% | 0.654 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.5 | -23.2 | 179.8 | -74.5 | 170.7 | 29.4 | 0 | 0 | 113.1 | P567 Y569 P575 | P567-Q571 VanDerWaalsContact O-CB 3.27Å; P567-Q571 WeakPolarHBondContact O-CB 3.34Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 2.85Å; Y569-Q571 VanDerWaalsContact C-N 3.35Å; Y569-Q571 PolarHBondContact O-N 3.07Å; Q571-P575 WeakPolarHBondContact O-CD 3.33Å; Q571-P575 VanDerWaalsContact O-CG 3.28Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å |
| 572 | M | 95.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -85.9 | -46 | 177.3 | -167.2 | -163.6 | -70.1 | 0 | 0 | 111.8 | L531 D532 V535 E568 Y569 I570 P576 | L531-M572 HydrophobicContact CB-SD 3.96Å; D532-M572 WeakPolarHBondContact OD1-CE 3.39Å; V535-M572 HydrophobicContact CB-CG 4.19Å; V535-M572 HydrophobicContact CB-SD 4.29Å; V535-M572 HydrophobicContact CG1-CG 4.02Å; V535-M572 HydrophobicContact CG2-CG 3.9Å; V535-M572 HydrophobicContact CG2-SD 4.04Å; E568-M572 PolarHBondContact O-N 2.99Å; Y569-M572 PolarHBondContact O-N 3.37Å; Y569-M572 VanDerWaalsContact O-N 3.14Å; I570-M572 PolarHBondContact O-N 2.92Å; M572-P576 WeakPolarHBondContact O-CD 3.34Å |
| 573 | L | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -82.4 | -40.3 | -170.7 | -176.7 | 62.2 | 0 | 0 | 0 | 114 | L531 V535 I553 L564 Y569 I570 P576 L577 V601 | L531-L573 HydrophobicContact CD2-CD2 4.41Å; V535-L573 HydrophobicContact CG2-CD1 4.17Å; I553-L573 HydrophobicContact CD1-CD1 4.12Å; I553-L573 HydrophobicContact CG2-CD1 3.95Å; I553-L573 HydrophobicContact CG2-CD2 4.13Å; L564-L573 HydrophobicContact CD2-CD2 4.33Å; Y569-L573 WeakPolarHBondContact O-CB 3.34Å; Y569-L573 PolarHBondContact O-N 2.89Å; I570-L573 PolarHBondContact O-N 3.27Å; L573-P576 WeakPolarHBondContact O-CD 3.46Å; L573-P576 VanDerWaalsContact O-CG 3.25Å; L573-P576 WeakPolarHBondContact O-CG 3.36Å; L573-L577 HydrophobicContact CD1-CD1 4.25Å; L573-L577 HydrophobicContact CG-CD1 3.97Å; L573-V601 HydrophobicContact CD2-CG1 4.49Å; L573-V601 HydrophobicContact CD2-CG2 4.32Å |
| 574 | M | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -39.1 | -173.5 | -67.6 | -55.5 | -55.5 | 0 | 0 | 114.6 | I570 L577 I578 L598 V601 L605 F609 Y612 | I570-M574 HydrophobicContact CG2-CG 3.8Å; I570-M574 WeakPolarHBondContact O-CB 3.41Å; I570-M574 WeakPolarHBondContact O-CG 3.44Å; I570-M574 PolarHBondContact O-N 3.09Å; M574-L577 PolarHBondContact O-N 3.37Å; M574-L577 HydrophobicContact SD-CD1 4.41Å; M574-I578 HydrophobicContact CE-CD1 4.06Å; M574-I578 HydrophobicContact CE-CG1 4.05Å; M574-I578 WeakPolarHBondContact O-CB 3.49Å; M574-I578 VanDerWaalsContact O-CG1 3.29Å; M574-I578 WeakPolarHBondContact O-CG1 3.46Å; M574-I578 PolarHBondContact O-N 2.97Å; M574-L598 HydrophobicContact CE-CD2 4.41Å; M574-V601 HydrophobicContact SD-CG1 4.08Å; M574-L605 HydrophobicContact SD-CD1 4.1Å; M574-F609 HydrophobicContact CE-CD2 4.23Å; M574-F609 HydrophobicContact CE-CE2 3.47Å; M574-F609 VanDerWaalsContact CE-CE2 3.47Å; M574-F609 HydrophobicContact CE-CZ 4.1Å; M574-F609 HydrophobicContact SD-CD2 4.35Å; M574-F609 HydrophobicContact SD-CE2 3.96Å; M574-Y612 HydrophobicContact CB-CE1 3.86Å; M574-Y612 HydrophobicContact CB-CE2 4.16Å; M574-Y612 HydrophobicContact CE-CD1 4.01Å; M574-Y612 HydrophobicContact CE-CD2 3.91Å; M574-Y612 HydrophobicContact CE-CE1 4.4Å; M574-Y612 HydrophobicContact CE-CE2 4.33Å; M574-Y612 HydrophobicContact CE-CG 3.74Å; M574-Y612 HydrophobicContact CG-CD2 4.2Å; M574-Y612 HydrophobicContact CG-CE1 4.26Å; M574-Y612 HydrophobicContact CG-CE2 3.68Å |
| 575 | P | 97.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.8 | -50.1 | -180 | -25.8 | 34.8 | 0 | 0 | 0 | 115.4 | Q571 I578 Q579 | Q571-P575 WeakPolarHBondContact O-CD 3.33Å; Q571-P575 VanDerWaalsContact O-CG 3.28Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å; P575-I578 PolarHBondContact O-N 3.38Å; P575-Q579 WeakPolarHBondContact O-CB 3.45Å; P575-Q579 PolarHBondContact O-N 3.24Å |
| 576 | P | 97.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 60.8 Ų | 60.8 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 178.2 | 24.9 | -34.5 | 0 | 0 | 0 | 113.3 | V535 F538 M572 L573 Q579 K580 | V535-P576 HydrophobicContact CG1-CG 4.38Å; F538-P576 HydrophobicContact CB-CB 4.05Å; F538-P576 HydrophobicContact CD1-CB 4.22Å; F538-P576 HydrophobicContact CD2-CB 3.58Å; F538-P576 HydrophobicContact CD2-CG 3.73Å; F538-P576 HydrophobicContact CE2-CB 4.05Å; F538-P576 HydrophobicContact CE2-CG 3.96Å; F538-P576 HydrophobicContact CG-CB 3.68Å; F538-P576 HydrophobicContact CG-CG 4.35Å; M572-P576 WeakPolarHBondContact O-CD 3.34Å; L573-P576 WeakPolarHBondContact O-CD 3.46Å; L573-P576 VanDerWaalsContact O-CG 3.25Å; L573-P576 WeakPolarHBondContact O-CG 3.36Å; P576-Q579 WeakPolarHBondContact O-CB 3.49Å; P576-Q579 PolarHBondContact O-N 3.27Å; P576-K580 WeakPolarHBondContact O-CG 3.18Å; P576-K580 PolarHBondContact O-N 3.31Å; P576-K580 VanDerWaalsContact O-N 3.14Å |
| 577 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 175.7 | -70.8 | 175.2 | 0 | 0 | 0 | 111.7 | F538 Y550 L573 M574 Q579 K580 W581 L594 L598 | F538-L577 HydrophobicContact CE1-CD2 4.38Å; F538-L577 HydrophobicContact CZ-CD2 3.72Å; F538-L577 HydrophobicContact CZ-CG 4.32Å; Y550-L577 HydrophobicContact CD1-CD2 4.05Å; Y550-L577 HydrophobicContact CE1-CD2 4.05Å; L573-L577 HydrophobicContact CD1-CD1 4.25Å; L573-L577 HydrophobicContact CG-CD1 3.97Å; M574-L577 PolarHBondContact O-N 3.37Å; M574-L577 HydrophobicContact SD-CD1 4.41Å; L577-Q579 VanDerWaalsContact C-N 3.3Å; L577-Q579 PolarHBondContact O-N 3.49Å; L577-K580 PolarHBondContact O-N 3.07Å; L577-W581 WeakPolarHBondContact O-CB 3.44Å; L577-W581 PolarHBondContact O-N 3.4Å; L577-L594 HydrophobicContact CD2-CD1 3.92Å; L577-L598 HydrophobicContact CB-CD2 4.47Å; L577-L598 HydrophobicContact CD1-CD2 4.22Å |
| 578 | I | 95.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 178.6 | -64.3 | -62.7 | 0 | 0 | 0 | 111.6 | M574 P575 K580 N582 Y612 | M574-I578 HydrophobicContact CE-CD1 4.06Å; M574-I578 HydrophobicContact CE-CG1 4.05Å; M574-I578 WeakPolarHBondContact O-CB 3.49Å; M574-I578 VanDerWaalsContact O-CG1 3.29Å; M574-I578 WeakPolarHBondContact O-CG1 3.46Å; M574-I578 PolarHBondContact O-N 2.97Å; P575-I578 PolarHBondContact O-N 3.38Å; I578-K580 VanDerWaalsContact C-N 3.35Å; I578-N582 WeakPolarHBondContact CG2-ND2 3.17Å; I578-N582 PolarHBondContact O-N 3.25Å; I578-N582 VanDerWaalsContact O-N 3.09Å; I578-N582 PolarHBondContact O-ND2 3.22Å; I578-Y612 HydrophobicContact CD1-CD1 4.32Å; I578-Y612 HydrophobicContact CG1-CD1 4.19Å |
| 579 | Q | 96.4 | Very high | 95.6 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59 | -48.9 | 172.6 | -178.5 | -178.6 | -4.8 | 0 | 0 | 110.7 | P575 P576 L577 N582 M583 | P575-Q579 WeakPolarHBondContact O-CB 3.45Å; P575-Q579 PolarHBondContact O-N 3.24Å; P576-Q579 WeakPolarHBondContact O-CB 3.49Å; P576-Q579 PolarHBondContact O-N 3.27Å; L577-Q579 VanDerWaalsContact C-N 3.3Å; L577-Q579 PolarHBondContact O-N 3.49Å; Q579-N582 PolarHBondContact O-N 3.18Å; Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.27Å; Q579-M583 PolarHBondContact O-N 2.99Å |
| 580 | K | 95.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 60 Ų | 60 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 179.4 | -67.4 | -73.8 | -175.1 | 171.4 | 0 | 112.2 | L546 Y550 P576 L577 I578 N582 M583 L584 L594 | L546-K580 VanDerWaalsContact CD1-NZ 3.27Å; Y550-K580 VanDerWaalsContact OH-CB 3.28Å; Y550-K580 WeakPolarHBondContact OH-CB 3.3Å; Y550-K580 WeakPolarHBondContact OH-CD 3.17Å; Y550-K580 WeakPolarHBondContact OH-CG 3.26Å; P576-K580 WeakPolarHBondContact O-CG 3.18Å; P576-K580 PolarHBondContact O-N 3.31Å; P576-K580 VanDerWaalsContact O-N 3.14Å; L577-K580 PolarHBondContact O-N 3.07Å; I578-K580 VanDerWaalsContact C-N 3.35Å; K580-N582 VanDerWaalsContact C-N 3.28Å; K580-N582 PolarHBondContact O-N 3.2Å; K580-M583 HydrophobicContact CD-SD 4.46Å; K580-M583 WeakPolarHBondContact O-CB 3.28Å; K580-M583 PolarHBondContact O-N 2.86Å; K580-L584 PolarHBondContact O-N 3.43Å; K580-L584 VanDerWaalsContact O-N 3.16Å; K580-L594 HydrophobicContact CB-CD2 4.38Å |
| 581 | W | 93.9 | Very high | 95 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -50.9 | -46.2 | 173.1 | 171.2 | -85.8 | 0 | 0 | 0 | 112.9 | L577 M583 L594 L595 L598 V616 R619 L655 | L577-W581 WeakPolarHBondContact O-CB 3.44Å; L577-W581 PolarHBondContact O-N 3.4Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 3.18Å; W581-L594 HydrophobicContact CB-CD2 4.21Å; W581-L595 HydrophobicContact CE3-CD2 3.71Å; W581-L595 HydrophobicContact CH2-CD2 4.32Å; W581-L595 HydrophobicContact CZ3-CD2 3.26Å; W581-L598 HydrophobicContact CE3-CD1 3.49Å; W581-L598 VanDerWaalsContact CE3-CD1 3.49Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; W581-V616 HydrophobicContact CH2-CB 4.12Å; W581-V616 HydrophobicContact CH2-CG1 3.89Å; W581-V616 HydrophobicContact CH2-CG2 4.16Å; W581-V616 HydrophobicContact CZ2-CB 4.38Å; W581-V616 HydrophobicContact CZ2-CG2 4.22Å; W581-V616 HydrophobicContact CZ3-CG1 4.18Å; W581-V616 HydrophobicContact CZ3-CG2 4.41Å; W581-R619 HydrophobicContact CH2-CB 3.76Å; W581-R619 VanDerWaalsContact CH2-CD 3.5Å; W581-R619 HydrophobicContact CH2-CG 4.14Å; W581-R619 HydrophobicContact CZ2-CB 3.45Å; W581-R619 VanDerWaalsContact CZ2-CB 3.45Å; W581-R619 HydrophobicContact CZ2-CG 3.9Å; W581-R619 PolarHBondContact O-NH1 2.92Å; W581-L655 HydrophobicContact CZ3-CD2 4.3Å |
| 582 | N | 94.9 | Very high | 94.8 | Very high | 118 Ų | 118 | 52.6 Ų | 52.6 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.8 | -17.7 | -179.2 | -69.8 | -44.2 | 0 | 0 | 0 | 113.6 | I578 Q579 K580 | I578-N582 WeakPolarHBondContact CG2-ND2 3.17Å; I578-N582 PolarHBondContact O-N 3.25Å; I578-N582 VanDerWaalsContact O-N 3.09Å; I578-N582 PolarHBondContact O-ND2 3.22Å; Q579-N582 PolarHBondContact O-N 3.18Å; K580-N582 VanDerWaalsContact C-N 3.28Å; K580-N582 PolarHBondContact O-N 3.2Å |
| 583 | M | 95.3 | Very high | 94.7 | Very high | 120 Ų | 120 | 50.1 Ų | 50.1 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -84.3 | -40.2 | 179.6 | -72.3 | 173.4 | 61.2 | 0 | 0 | 112.4 | Q579 K580 W581 | Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.27Å; Q579-M583 PolarHBondContact O-N 2.99Å; K580-M583 HydrophobicContact CD-SD 4.46Å; K580-M583 WeakPolarHBondContact O-CB 3.28Å; K580-M583 PolarHBondContact O-N 2.86Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 3.18Å |
| 584 | L | 94.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73.1 | 141.4 | -175.4 | -63.7 | 178.4 | 0 | 0 | 0 | 111.7 | K580 D588 D590 L591 L594 R619 | K580-L584 PolarHBondContact O-N 3.43Å; K580-L584 VanDerWaalsContact O-N 3.16Å; L584-D588 HydrophobicContact CD2-CB 4.5Å; L584-D590 HydrophobicContact CD1-CB 3.78Å; L584-D590 HydrophobicContact CD2-CB 3.78Å; L584-D590 HydrophobicContact CG-CB 4.44Å; L584-L591 HydrophobicContact CB-CD2 3.85Å; L584-L591 HydrophobicContact CB-CG 4.26Å; L584-L591 HydrophobicContact CD1-CD2 3.97Å; L584-L591 HydrophobicContact CD1-CG 4.39Å; L584-L594 HydrophobicContact CD1-CD2 3.8Å; L584-R619 PolarHBondContact O-NH2 3.21Å |
| 585 | K | 96.1 | Very high | 94.5 | Very high | 149 Ų | 149 | 50 Ų | 50 | 65% | 0.648 | 25% | 0.247 | S | C | * | . | trans | -87.5 | 166.7 | 173.9 | -63.8 | 178.6 | -174.5 | 165.7 | 0 | 110.8 | E587 D588 L591 | K585-E587 WeakPolarHBondContact CB-OE2 3.45Å; K585-E587 PolarHBondContact O-N 2.91Å; K585-D588 WeakPolarHBondContact O-CB 3.16Å; K585-D588 PolarHBondContact O-N 3.05Å; K585-L591 WeakPolarHBondContact O-CD1 3.23Å | ||
| 586 | D | 94.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.6 | -178.1 | -73.2 | -4.4 | 0 | 0 | 0 | 113.5 | R619 L623 K626 F648 | D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 IonicContact OD1-NE 2.86Å; D586-R619 PolarHBondContact OD1-NE 2.68Å; D586-R619 IonicContact OD1-NH2 3.66Å; D586-R619 PolarHBondContact OD1-NH2 3.15Å; D586-L623 HydrophobicContact CB-CD2 3.66Å; D586-K626 IonicContact OD2-NZ 2.84Å; D586-K626 PolarHBondContact OD2-NZ 3.43Å; D586-F648 WeakPolarHBondContact O-CD1 3.4Å; D586-F648 VanDerWaalsContact O-CE1 3.22Å; D586-F648 WeakPolarHBondContact O-CE1 3.4Å |
| 587 | E | 92.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 48.7 Ų | 48.7 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2 | 178 | -47.3 | 79 | -160.3 | 0 | 0 | 112.6 | K585 F648 | K585-E587 WeakPolarHBondContact CB-OE2 3.45Å; K585-E587 PolarHBondContact O-N 2.91Å; E587-F648 VanDerWaalsContact C-CZ 3.49Å |
| 588 | D | 92.5 | Very high | 94.2 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | -88.3 | 121.2 | -175 | -159.4 | -31.5 | 0 | 0 | 0 | 111 | L584 K585 D590 L591 F648 | L584-D588 HydrophobicContact CD2-CB 4.5Å; K585-D588 WeakPolarHBondContact O-CB 3.16Å; K585-D588 PolarHBondContact O-N 3.05Å; D588-D590 PolarHBondContact O-N 3.4Å; D588-D590 WeakPolarHBondContact OD1-CB 3.49Å; D588-D590 PolarHBondContact OD1-N 2.84Å; D588-L591 VanDerWaalsContact O-CB 3.27Å; D588-L591 WeakPolarHBondContact O-CB 3.3Å; D588-L591 WeakPolarHBondContact O-CG 3.39Å; D588-L591 PolarHBondContact O-N 3.18Å; D588-F648 WeakPolarHBondContact O-CE1 3.47Å | ||
| 589 | K | 90.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 32% | 0.317 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18 | -177.2 | -67.6 | -165.8 | 170 | -133.7 | 0 | 113.2 | L591 F592 D645 F648 | K589-L591 PolarHBondContact O-N 3.1Å; K589-F592 HydrophobicContact CB-CD2 4.32Å; K589-F592 HydrophobicContact CB-CE2 3.98Å; K589-F592 HydrophobicContact CB-CZ 4.34Å; K589-F592 HydrophobicContact CD-CE2 4.13Å; K589-F592 HydrophobicContact CG-CE2 3.94Å; K589-F592 HydrophobicContact CG-CZ 4.05Å; K589-F592 WeakPolarHBondContact O-CD2 3.49Å; K589-F592 VanDerWaalsContact O-CG 3.3Å; K589-F592 WeakPolarHBondContact O-CG 3.23Å; K589-F592 PolarHBondContact O-N 2.95Å; K589-D645 VanDerWaalsContact CE-OD2 3.26Å; K589-D645 WeakPolarHBondContact CE-OD2 3.2Å; K589-D645 IonicContact NZ-OD2 2.78Å; K589-D645 PolarHBondContact NZ-OD2 3.39Å; K589-F648 HydrophobicContact CG-CZ 4.23Å |
| 590 | D | 90.5 | Very high | 94.2 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16 | 170.4 | -69.9 | -6 | 0 | 0 | 0 | 112.8 | H543 L547 L584 D588 F592 | H543-D590 IonicContact CD2-OD1 3.07Å; H543-D590 IonicContact CD2-OD2 2.85Å; H543-D590 IonicContact CE1-OD1 3.83Å; H543-D590 IonicContact CE1-OD2 2.65Å; H543-D590 PolarHBondContact CE1-OD2 3.31Å; H543-D590 IonicContact ND1-OD2 3.24Å; H543-D590 IonicContact NE2-OD1 3.67Å; H543-D590 PolarHBondContact NE2-OD1 2.97Å; H543-D590 IonicContact NE2-OD2 2.7Å; H543-D590 PolarHBondContact NE2-OD2 3.36Å; L547-D590 HydrophobicContact CD2-CB 4.25Å; L584-D590 HydrophobicContact CD1-CB 3.78Å; L584-D590 HydrophobicContact CD2-CB 3.78Å; L584-D590 HydrophobicContact CG-CB 4.44Å; D588-D590 PolarHBondContact O-N 3.4Å; D588-D590 WeakPolarHBondContact OD1-CB 3.49Å; D588-D590 PolarHBondContact OD1-N 2.84Å; D590-F592 PolarHBondContact O-N 3.48Å |
| 591 | L | 92.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -31.6 | 171.2 | -76.9 | 179.6 | 0 | 0 | 0 | 112.2 | L584 K585 D588 K589 L594 L595 F648 | L584-L591 HydrophobicContact CB-CD2 3.85Å; L584-L591 HydrophobicContact CB-CG 4.26Å; L584-L591 HydrophobicContact CD1-CD2 3.97Å; L584-L591 HydrophobicContact CD1-CG 4.39Å; K585-L591 WeakPolarHBondContact O-CD1 3.23Å; D588-L591 VanDerWaalsContact O-CB 3.27Å; D588-L591 WeakPolarHBondContact O-CB 3.3Å; D588-L591 WeakPolarHBondContact O-CG 3.39Å; D588-L591 PolarHBondContact O-N 3.18Å; K589-L591 PolarHBondContact O-N 3.1Å; L591-L594 PolarHBondContact O-N 3.12Å; L591-L595 HydrophobicContact CB-CG 4.37Å; L591-L595 HydrophobicContact CD2-CD2 4.28Å; L591-L595 VanDerWaalsContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CG 3.08Å; L591-L595 PolarHBondContact O-N 3.37Å; L591-F648 HydrophobicContact CB-CE1 4.45Å; L591-F648 HydrophobicContact CD1-CD1 4.38Å; L591-F648 HydrophobicContact CD1-CE1 4.15Å |
| 592 | F | 92.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -61.7 | -174.5 | -52.5 | -21.7 | 0 | 0 | 0 | 112.1 | R346 H348 K589 D590 L594 L595 E596 D647 F648 V651 | R346-F592 WeakPolarHBondContact O-CD2 2.99Å; R346-F592 WeakPolarHBondContact O-CE2 3.49Å; H348-F592 HydrophobicContact CB-CB 4.33Å; H348-F592 HydrophobicContact CB-CG 4.29Å; K589-F592 HydrophobicContact CB-CD2 4.32Å; K589-F592 HydrophobicContact CB-CE2 3.98Å; K589-F592 HydrophobicContact CB-CZ 4.34Å; K589-F592 HydrophobicContact CD-CE2 4.13Å; K589-F592 HydrophobicContact CG-CE2 3.94Å; K589-F592 HydrophobicContact CG-CZ 4.05Å; K589-F592 WeakPolarHBondContact O-CD2 3.49Å; K589-F592 VanDerWaalsContact O-CG 3.3Å; K589-F592 WeakPolarHBondContact O-CG 3.23Å; K589-F592 PolarHBondContact O-N 2.95Å; D590-F592 PolarHBondContact O-N 3.48Å; F592-L594 VanDerWaalsContact C-N 3.31Å; F592-L594 PolarHBondContact O-N 2.92Å; F592-L595 PolarHBondContact O-N 2.91Å; F592-L595 VanDerWaalsContact O-N 3.14Å; F592-E596 WeakPolarHBondContact O-CG 3.41Å; F592-E596 PolarHBondContact O-N 3.1Å; F592-D647 HydrophobicContact CE1-CB 3.97Å; F592-D647 HydrophobicContact CE2-CB 3.94Å; F592-D647 HydrophobicContact CZ-CB 3.56Å; F592-F648 HydrophobicContact CD1-CD1 4.49Å; F592-F648 HydrophobicContact CD1-CE1 4.48Å; F592-F648 AromaticContact CE1-CD1 3.64Å; F592-F648 HydrophobicContact CE1-CD1 3.64Å; F592-F648 AromaticContact CE1-CD2 3.96Å; F592-F648 HydrophobicContact CE1-CD2 3.96Å; F592-F648 AromaticContact CE1-CE1 3.65Å; F592-F648 HydrophobicContact CE1-CE1 3.65Å; F592-F648 AromaticContact CE1-CE2 3.97Å; F592-F648 HydrophobicContact CE1-CE2 3.97Å; F592-F648 AromaticContact CE1-CG 3.79Å; F592-F648 HydrophobicContact CE1-CG 3.79Å; F592-F648 AromaticContact CE1-CZ 3.82Å; F592-F648 HydrophobicContact CE1-CZ 3.82Å; F592-F648 HydrophobicContact CZ-CD1 4.45Å; F592-F648 HydrophobicContact CZ-CD2 4.05Å; F592-F648 HydrophobicContact CZ-CE1 4.24Å; F592-F648 AromaticContact CZ-CE2 3.82Å; F592-F648 HydrophobicContact CZ-CE2 3.82Å; F592-F648 HydrophobicContact CZ-CG 4.35Å; F592-F648 AromaticContact CZ-CZ 3.92Å; F592-F648 HydrophobicContact CZ-CZ 3.92Å; F592-V651 HydrophobicContact CD1-CG1 4.03Å |
| 593 | P | 91.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -33.1 | 179.6 | 24.4 | -33.7 | 0 | 0 | 0 | 112.8 | L547 Y550 D551 L595 E596 C597 | L547-P593 HydrophobicContact CB-CG 4.23Å; L547-P593 HydrophobicContact CD2-CG 3.75Å; L547-P593 HydrophobicContact CG-CG 4.48Å; Y550-P593 WeakPolarHBondContact CB-O 3.4Å; Y550-P593 HydrophobicContact CD2-CB 4.13Å; Y550-P593 HydrophobicContact CD2-CG 4.21Å; D551-P593 WeakPolarHBondContact OD1-CB 3.28Å; P593-L595 PolarHBondContact O-N 3.24Å; P593-E596 WeakPolarHBondContact CA-OE2 3.42Å; P593-C597 WeakPolarHBondContact O-CB 3.32Å; P593-C597 PolarHBondContact O-N 3.42Å |
| 594 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.7 | 178.1 | 63.3 | 0 | 0 | 0 | 112.2 | Y550 L577 K580 W581 L584 L591 F592 L598 | Y550-L594 HydrophobicContact CD1-CD1 3.92Å; Y550-L594 HydrophobicContact CD2-CB 4.32Å; Y550-L594 HydrophobicContact CE1-CD1 3.58Å; Y550-L594 HydrophobicContact CE2-CB 4.27Å; L577-L594 HydrophobicContact CD2-CD1 3.92Å; K580-L594 HydrophobicContact CB-CD2 4.38Å; W581-L594 HydrophobicContact CB-CD2 4.21Å; L584-L594 HydrophobicContact CD1-CD2 3.8Å; L591-L594 PolarHBondContact O-N 3.12Å; F592-L594 VanDerWaalsContact C-N 3.31Å; F592-L594 PolarHBondContact O-N 2.92Å; L594-L598 HydrophobicContact CD1-CD1 4.35Å; L594-L598 HydrophobicContact CD1-CG 4.47Å; L594-L598 HydrophobicContact CG-CD1 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.31Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.06Å |
| 595 | L | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -77.5 | -36.7 | -177.8 | -67.8 | -143.6 | 0 | 0 | 0 | 111.7 | W581 L591 F592 P593 L598 S599 L623 V651 L655 | W581-L595 HydrophobicContact CE3-CD2 3.71Å; W581-L595 HydrophobicContact CH2-CD2 4.32Å; W581-L595 HydrophobicContact CZ3-CD2 3.26Å; L591-L595 HydrophobicContact CB-CG 4.37Å; L591-L595 HydrophobicContact CD2-CD2 4.28Å; L591-L595 VanDerWaalsContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CG 3.08Å; L591-L595 PolarHBondContact O-N 3.37Å; F592-L595 PolarHBondContact O-N 2.91Å; F592-L595 VanDerWaalsContact O-N 3.14Å; P593-L595 PolarHBondContact O-N 3.24Å; L595-L598 HydrophobicContact CD2-CD1 4.25Å; L595-L598 PolarHBondContact O-N 2.97Å; L595-S599 PolarHBondContact O-N 3.17Å; L595-L623 HydrophobicContact CD1-CD1 4.37Å; L595-V651 HydrophobicContact CB-CG1 4.47Å; L595-V651 HydrophobicContact CB-CG2 3.51Å; L595-V651 HydrophobicContact CD1-CG1 4.14Å; L595-V651 HydrophobicContact CG-CG2 4.45Å; L595-L655 HydrophobicContact CB-CD2 4.1Å; L595-L655 HydrophobicContact CD1-CD2 4.03Å; L595-L655 HydrophobicContact CD2-CD2 3.98Å; L595-L655 HydrophobicContact CG-CD2 4.24Å |
| 596 | E | 92.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 29% | 0.29 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58 | -51.4 | 169.2 | -71.7 | 166.7 | 144.3 | 0 | 0 | 110.3 | H348 F592 P593 L598 S599 S600 V651 | H348-E596 IonicContact CE1-OE1 3.76Å; H348-E596 PolarHBondContact CE1-OE1 3.1Å; H348-E596 IonicContact CG-OE1 3.35Å; H348-E596 VanDerWaalsContact ND1-CD 3.33Å; H348-E596 WeakPolarHBondContact ND1-CG 3.31Å; H348-E596 IonicContact ND1-OE1 2.82Å; H348-E596 PolarHBondContact ND1-OE1 3.41Å; F592-E596 WeakPolarHBondContact O-CG 3.41Å; F592-E596 PolarHBondContact O-N 3.1Å; P593-E596 WeakPolarHBondContact CA-OE2 3.42Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 2.88Å; E596-S599 WeakPolarHBondContact O-CA 3.15Å; E596-S599 WeakPolarHBondContact O-CB 3.47Å; E596-S599 PolarHBondContact O-N 3.41Å; E596-S600 PolarHBondContact O-N 3.32Å; E596-V651 HydrophobicContact CG-CG2 4.08Å |
| 597 | C | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.9 | -47.4 | 175.1 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | Y550 I553 P593 S599 S600 V601 | Y550-C597 WeakPolarHBondContact O-CB 3.43Å; Y550-C597 PolarHBondContact O-SG 3.09Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; P593-C597 WeakPolarHBondContact O-CB 3.32Å; P593-C597 PolarHBondContact O-N 3.42Å; C597-S599 PolarHBondContact O-N 3.15Å; C597-S600 PolarHBondContact O-N 2.94Å; C597-V601 WeakPolarHBondContact O-CB 3.33Å; C597-V601 VanDerWaalsContact O-CG2 3.27Å; C597-V601 WeakPolarHBondContact O-CG2 3.41Å; C597-V601 PolarHBondContact O-N 3.48Å |
| 598 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -26.2 | 177.8 | -77.9 | 171.5 | 0 | 0 | 0 | 112.8 | M574 L577 W581 L594 L595 E596 A602 F609 L655 | M574-L598 HydrophobicContact CE-CD2 4.41Å; L577-L598 HydrophobicContact CB-CD2 4.47Å; L577-L598 HydrophobicContact CD1-CD2 4.22Å; W581-L598 HydrophobicContact CE3-CD1 3.49Å; W581-L598 VanDerWaalsContact CE3-CD1 3.49Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; L594-L598 HydrophobicContact CD1-CD1 4.35Å; L594-L598 HydrophobicContact CD1-CG 4.47Å; L594-L598 HydrophobicContact CG-CD1 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.31Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.06Å; L595-L598 HydrophobicContact CD2-CD1 4.25Å; L595-L598 PolarHBondContact O-N 2.97Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 2.88Å; L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; L598-F609 HydrophobicContact CD2-CE2 4.32Å; L598-F609 HydrophobicContact CD2-CZ 4.25Å; L598-L655 HydrophobicContact CB-CD1 3.98Å; L598-L655 HydrophobicContact CB-CD2 4.25Å |
| 599 | S | 95.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -50.9 | 177.7 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | L595 E596 C597 A602 T603 D654 | L595-S599 PolarHBondContact O-N 3.17Å; E596-S599 WeakPolarHBondContact O-CA 3.15Å; E596-S599 WeakPolarHBondContact O-CB 3.47Å; E596-S599 PolarHBondContact O-N 3.41Å; C597-S599 PolarHBondContact O-N 3.15Å; S599-A602 PolarHBondContact O-N 3Å; S599-T603 PolarHBondContact O-N 3.16Å; S599-T603 VanDerWaalsContact O-N 3.11Å; S599-T603 PolarHBondContact O-OG1 3.34Å; S599-D654 PolarHBondContact OG-O 2.95Å |
| 600 | S | 96 | Very high | 95.7 | Very high | 19 Ų | 19 | 19 Ų | 19 | 13% | 0.133 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | G554 D558 E596 C597 A602 T603 A604 | G554-S600 WeakPolarHBondContact O-CB 3.26Å; D558-S600 VanDerWaalsContact CG-OG 3.31Å; D558-S600 WeakPolarHBondContact OD1-CB 3.49Å; D558-S600 PolarHBondContact OD1-OG 2.87Å; D558-S600 VanDerWaalsContact OD2-CB 3.29Å; D558-S600 WeakPolarHBondContact OD2-CB 3.39Å; D558-S600 PolarHBondContact OD2-OG 3.46Å; E596-S600 PolarHBondContact O-N 3.32Å; C597-S600 PolarHBondContact O-N 2.94Å; S600-A602 PolarHBondContact O-N 2.85Å; S600-T603 PolarHBondContact O-N 3.44Å; S600-A604 WeakPolarHBondContact O-CB 3.24Å; S600-A604 PolarHBondContact O-N 3.4Å |
| 601 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 112 | I553 A557 L573 M574 C597 T603 A604 L605 F609 | I553-V601 HydrophobicContact CG2-CG2 4.02Å; A557-V601 HydrophobicContact CB-CG2 3.98Å; L573-V601 HydrophobicContact CD2-CG1 4.49Å; L573-V601 HydrophobicContact CD2-CG2 4.32Å; M574-V601 HydrophobicContact SD-CG1 4.08Å; C597-V601 WeakPolarHBondContact O-CB 3.33Å; C597-V601 VanDerWaalsContact O-CG2 3.27Å; C597-V601 WeakPolarHBondContact O-CG2 3.41Å; C597-V601 PolarHBondContact O-N 3.48Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; V601-A604 PolarHBondContact O-N 3.42Å; V601-L605 HydrophobicContact CG1-CD1 3.67Å; V601-L605 HydrophobicContact CG1-CG 4.05Å; V601-L605 VanDerWaalsContact O-CB 3.26Å; V601-L605 WeakPolarHBondContact O-CB 3.48Å; V601-L605 VanDerWaalsContact O-CG 3.23Å; V601-L605 WeakPolarHBondContact O-CG 3.34Å; V601-L605 PolarHBondContact O-N 2.97Å; V601-F609 HydrophobicContact CG1-CE2 4.39Å |
| 602 | A | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L598 S599 S600 Q606 F609 L659 | L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; S599-A602 PolarHBondContact O-N 3Å; S600-A602 PolarHBondContact O-N 2.85Å; A602-Q606 PolarHBondContact O-N 3.01Å; A602-F609 HydrophobicContact CB-CD1 4.09Å; A602-F609 HydrophobicContact CB-CD2 4.24Å; A602-F609 HydrophobicContact CB-CE1 4.23Å; A602-F609 HydrophobicContact CB-CE2 4.35Å; A602-F609 HydrophobicContact CB-CG 4.1Å; A602-F609 HydrophobicContact CB-CZ 4.35Å; A602-L659 HydrophobicContact CB-CD2 3.94Å |
| 603 | T | 95.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 17% | 0.172 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 177.5 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | S599 S600 V601 Q606 G658 E661 | S599-T603 PolarHBondContact O-N 3.16Å; S599-T603 VanDerWaalsContact O-N 3.11Å; S599-T603 PolarHBondContact O-OG1 3.34Å; S600-T603 PolarHBondContact O-N 3.44Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; T603-Q606 VanDerWaalsContact O-CG 3.26Å; T603-Q606 WeakPolarHBondContact O-CG 3.33Å; T603-Q606 PolarHBondContact O-N 2.94Å; T603-G658 PolarHBondContact OG1-O 3.41Å; T603-E661 HydrophobicContact CG2-CG 4.06Å |
| 604 | A | 96.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A557 H562 L564 S600 V601 Q606 | A557-A604 HydrophobicContact CB-CB 3.97Å; A557-A604 WeakPolarHBondContact O-CB 3.26Å; H562-A604 WeakPolarHBondContact CA-O 3.26Å; L564-A604 HydrophobicContact CB-CB 4.43Å; L564-A604 HydrophobicContact CD2-CB 4.22Å; S600-A604 WeakPolarHBondContact O-CB 3.24Å; S600-A604 PolarHBondContact O-N 3.4Å; V601-A604 PolarHBondContact O-N 3.42Å; A604-Q606 VanDerWaalsContact C-N 3.35Å |
| 605 | L | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.6 | -19.9 | -179.3 | -68.6 | -172.1 | 0 | 0 | 0 | 113.5 | L564 N565 I570 M574 V601 S607 G608 F609 | L564-L605 HydrophobicContact CB-CD2 4.23Å; L564-L605 HydrophobicContact CD2-CD2 4.25Å; L564-L605 HydrophobicContact CG-CD2 3.9Å; L564-L605 WeakPolarHBondContact O-CD2 3.38Å; N565-L605 HydrophobicContact CB-CD2 4.37Å; N565-L605 PolarHBondContact ND2-O 2.73Å; N565-L605 PolarHBondContact OD1-O 3.49Å; I570-L605 HydrophobicContact CD1-CD2 3.97Å; I570-L605 HydrophobicContact CG1-CD1 3.97Å; I570-L605 HydrophobicContact CG1-CD2 3.56Å; I570-L605 HydrophobicContact CG1-CG 4.39Å; I570-L605 HydrophobicContact CG2-CD1 4.48Å; M574-L605 HydrophobicContact SD-CD1 4.1Å; V601-L605 HydrophobicContact CG1-CD1 3.67Å; V601-L605 HydrophobicContact CG1-CG 4.05Å; V601-L605 VanDerWaalsContact O-CB 3.26Å; V601-L605 WeakPolarHBondContact O-CB 3.48Å; V601-L605 VanDerWaalsContact O-CG 3.23Å; V601-L605 WeakPolarHBondContact O-CG 3.34Å; V601-L605 PolarHBondContact O-N 2.97Å; L605-S607 PolarHBondContact O-N 2.97Å; L605-G608 WeakPolarHBondContact O-CA 3.49Å; L605-G608 PolarHBondContact O-N 2.9Å; L605-F609 HydrophobicContact CB-CB 4.15Å; L605-F609 HydrophobicContact CD1-CD2 4.05Å |
| 606 | Q | 96.6 | Very high | 96.9 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | 48.7 | -127.4 | -178.9 | -57.7 | 178.3 | -20.5 | 0 | 0 | 111.8 | A602 T603 A604 G608 F609 G662 L663 | A602-Q606 PolarHBondContact O-N 3.01Å; T603-Q606 VanDerWaalsContact O-CG 3.26Å; T603-Q606 WeakPolarHBondContact O-CG 3.33Å; T603-Q606 PolarHBondContact O-N 2.94Å; A604-Q606 VanDerWaalsContact C-N 3.35Å; Q606-G608 PolarHBondContact O-N 3.49Å; Q606-F609 WeakPolarHBondContact O-CB 3.39Å; Q606-F609 PolarHBondContact O-N 3.36Å; Q606-G662 CarbonylContact C-O 3.59Å; Q606-G662 WeakPolarHBondContact CA-O 3.3Å; Q606-G662 WeakPolarHBondContact CB-O 3.44Å; Q606-L663 WeakPolarHBondContact O-CD2 3.31Å |
| 607 | S | 96.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 44% | 0.441 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -59.7 | -18.6 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | L605 F609 L610 | L605-S607 PolarHBondContact O-N 2.97Å; S607-F609 PolarHBondContact O-N 3.06Å; S607-L610 WeakPolarHBondContact O-CB 3.38Å; S607-L610 WeakPolarHBondContact O-CD1 3.47Å; S607-L610 WeakPolarHBondContact O-CG 3.49Å; S607-L610 PolarHBondContact O-N 3.02Å |
| 608 | G | 97.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 37 Ų | 37 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.9 | -22.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L605 Q606 L610 P611 | L605-G608 WeakPolarHBondContact O-CA 3.49Å; L605-G608 PolarHBondContact O-N 2.9Å; Q606-G608 PolarHBondContact O-N 3.49Å; G608-L610 VanDerWaalsContact C-N 3.34Å; G608-P611 VanDerWaalsContact O-CD 3.29Å; G608-P611 WeakPolarHBondContact O-CD 3.22Å |
| 609 | F | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -81.7 | -8.3 | 178 | -157.7 | -98.2 | 0 | 0 | 0 | 114.1 | M574 L598 V601 A602 L605 Q606 S607 P611 Y612 C613 V616 L659 L663 | M574-F609 HydrophobicContact CE-CD2 4.23Å; M574-F609 HydrophobicContact CE-CE2 3.47Å; M574-F609 VanDerWaalsContact CE-CE2 3.47Å; M574-F609 HydrophobicContact CE-CZ 4.1Å; M574-F609 HydrophobicContact SD-CD2 4.35Å; M574-F609 HydrophobicContact SD-CE2 3.96Å; L598-F609 HydrophobicContact CD2-CE2 4.32Å; L598-F609 HydrophobicContact CD2-CZ 4.25Å; V601-F609 HydrophobicContact CG1-CE2 4.39Å; A602-F609 HydrophobicContact CB-CD1 4.09Å; A602-F609 HydrophobicContact CB-CD2 4.24Å; A602-F609 HydrophobicContact CB-CE1 4.23Å; A602-F609 HydrophobicContact CB-CE2 4.35Å; A602-F609 HydrophobicContact CB-CG 4.1Å; A602-F609 HydrophobicContact CB-CZ 4.35Å; L605-F609 HydrophobicContact CB-CB 4.15Å; L605-F609 HydrophobicContact CD1-CD2 4.05Å; Q606-F609 WeakPolarHBondContact O-CB 3.39Å; Q606-F609 PolarHBondContact O-N 3.36Å; S607-F609 PolarHBondContact O-N 3.06Å; F609-P611 VanDerWaalsContact C-N 3.32Å; F609-P611 VanDerWaalsContact O-N 3.14Å; F609-Y612 HydrophobicContact CD2-CD2 4.35Å; F609-Y612 PolarHBondContact O-N 3.38Å; F609-C613 HydrophobicContact CD1-CB 4.08Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 3.33Å; F609-V616 HydrophobicContact CE1-CG2 4.24Å; F609-V616 HydrophobicContact CZ-CG2 4.27Å; F609-L659 HydrophobicContact CD1-CD2 3.67Å; F609-L659 HydrophobicContact CE1-CD2 3.63Å; F609-L663 HydrophobicContact CB-CD2 4.28Å |
| 610 | L | 97.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 38 Ų | 38 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -39.1 | -178.4 | -76.3 | 170.9 | 0 | 0 | 0 | 115.5 | S607 G608 Y612 C613 L663 N666 | S607-L610 WeakPolarHBondContact O-CB 3.38Å; S607-L610 WeakPolarHBondContact O-CD1 3.47Å; S607-L610 WeakPolarHBondContact O-CG 3.49Å; S607-L610 PolarHBondContact O-N 3.02Å; G608-L610 VanDerWaalsContact C-N 3.34Å; L610-Y612 PolarHBondContact O-N 3.4Å; L610-Y612 VanDerWaalsContact O-N 3.11Å; L610-C613 PolarHBondContact O-SG 3.17Å; L610-L663 HydrophobicContact CD2-CD2 3.84Å; L610-L663 HydrophobicContact CG-CD2 4.06Å; L610-N666 HydrophobicContact CD2-CB 3.74Å |
| 611 | P | 98.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 37.1 Ų | 37.1 | 66% | 0.656 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.5 | 178.7 | -23 | 35.7 | 0 | 0 | 0 | 114.5 | G608 F609 | G608-P611 VanDerWaalsContact O-CD 3.29Å; G608-P611 WeakPolarHBondContact O-CD 3.22Å; F609-P611 VanDerWaalsContact C-N 3.32Å; F609-P611 VanDerWaalsContact O-N 3.14Å |
| 612 | Y | 97.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 40 Ų | 40 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -13.9 | -171.8 | -47.7 | -77.8 | 0 | 0 | 0 | 113.1 | I570 M574 I578 F609 L610 E614 P615 V616 | I570-Y612 HydrophobicContact CG2-CE2 3.91Å; M574-Y612 HydrophobicContact CB-CE1 3.86Å; M574-Y612 HydrophobicContact CB-CE2 4.16Å; M574-Y612 HydrophobicContact CE-CD1 4.01Å; M574-Y612 HydrophobicContact CE-CD2 3.91Å; M574-Y612 HydrophobicContact CE-CE1 4.4Å; M574-Y612 HydrophobicContact CE-CE2 4.33Å; M574-Y612 HydrophobicContact CE-CG 3.74Å; M574-Y612 HydrophobicContact CG-CD2 4.2Å; M574-Y612 HydrophobicContact CG-CE1 4.26Å; M574-Y612 HydrophobicContact CG-CE2 3.68Å; I578-Y612 HydrophobicContact CD1-CD1 4.32Å; I578-Y612 HydrophobicContact CG1-CD1 4.19Å; F609-Y612 HydrophobicContact CD2-CD2 4.35Å; F609-Y612 PolarHBondContact O-N 3.38Å; L610-Y612 PolarHBondContact O-N 3.4Å; L610-Y612 VanDerWaalsContact O-N 3.11Å; Y612-E614 PolarHBondContact O-N 2.88Å; Y612-P615 WeakPolarHBondContact O-CD 3.44Å; Y612-P615 WeakPolarHBondContact O-CG 3.33Å; Y612-V616 WeakPolarHBondContact O-CG2 3.27Å |
| 613 | C | 96.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.5 | -34.7 | -165.4 | 65.3 | 0 | 0 | 0 | 0 | 115.2 | F609 L610 V616 Y617 L659 L663 L670 | F609-C613 HydrophobicContact CD1-CB 4.08Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 3.33Å; L610-C613 PolarHBondContact O-SG 3.17Å; C613-V616 PolarHBondContact O-N 3.18Å; C613-Y617 VanDerWaalsContact O-CB 3.24Å; C613-Y617 WeakPolarHBondContact O-CB 3.3Å; C613-Y617 PolarHBondContact O-N 3.28Å; C613-L659 HydrophobicContact CB-CD2 4.25Å; C613-L663 HydrophobicContact CB-CD1 3.56Å; C613-L670 HydrophobicContact CB-CD1 4.47Å |
| 614 | E | 97.9 | Very high | 97.8 | Very high | 125 Ų | 125 | 38.8 Ų | 38.8 | 58% | 0.584 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.6 | -52.4 | -175.3 | -175.4 | 171.3 | -159.2 | 0 | 0 | 113.6 | Y612 V616 Q618 L670 | Y612-E614 PolarHBondContact O-N 2.88Å; E614-V616 VanDerWaalsContact C-N 3.32Å; E614-V616 PolarHBondContact O-N 2.86Å; E614-Q618 WeakPolarHBondContact O-CB 3.45Å; E614-Q618 PolarHBondContact O-N 2.8Å; E614-Q618 VanDerWaalsContact O-N 3.09Å; E614-L670 HydrophobicContact CB-CD2 4.16Å; E614-L670 HydrophobicContact CG-CD2 3.99Å |
| 615 | P | 97.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 49% | 0.494 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.2 | -33.1 | 176.6 | 25.4 | -34.7 | 0 | 0 | 0 | 113.1 | Y612 R619 | Y612-P615 WeakPolarHBondContact O-CD 3.44Å; Y612-P615 WeakPolarHBondContact O-CG 3.33Å; P615-R619 PolarHBondContact O-N 3.06Å; P615-R619 VanDerWaalsContact O-N 3.16Å |
| 616 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -53.6 | 178 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | W581 F609 Y612 C613 E614 Q618 R619 C620 L655 L659 | W581-V616 HydrophobicContact CH2-CB 4.12Å; W581-V616 HydrophobicContact CH2-CG1 3.89Å; W581-V616 HydrophobicContact CH2-CG2 4.16Å; W581-V616 HydrophobicContact CZ2-CB 4.38Å; W581-V616 HydrophobicContact CZ2-CG2 4.22Å; W581-V616 HydrophobicContact CZ3-CG1 4.18Å; W581-V616 HydrophobicContact CZ3-CG2 4.41Å; F609-V616 HydrophobicContact CE1-CG2 4.24Å; F609-V616 HydrophobicContact CZ-CG2 4.27Å; Y612-V616 WeakPolarHBondContact O-CG2 3.27Å; C613-V616 PolarHBondContact O-N 3.18Å; E614-V616 VanDerWaalsContact C-N 3.32Å; E614-V616 PolarHBondContact O-N 2.86Å; V616-Q618 VanDerWaalsContact C-N 3.33Å; V616-Q618 PolarHBondContact O-N 3.38Å; V616-R619 PolarHBondContact O-N 3.37Å; V616-C620 PolarHBondContact O-N 3.47Å; V616-C620 VanDerWaalsContact O-N 3.13Å; V616-C620 PolarHBondContact O-SG 3.43Å; V616-C620 VanDerWaalsContact O-SG 3.39Å; V616-L655 HydrophobicContact CG1-CD1 4.33Å; V616-L655 HydrophobicContact CG1-CD2 3.63Å; V616-L655 HydrophobicContact CG1-CG 4.03Å; V616-L659 HydrophobicContact CB-CD1 4.44Å; V616-L659 HydrophobicContact CG1-CD1 3.94Å |
| 617 | Y | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.6 | -47.5 | 177.4 | -177.6 | -84.8 | 0 | 0 | 0 | 111.9 | C613 R619 C620 V621 L656 L659 I667 L670 V671 S674 I676 | C613-Y617 VanDerWaalsContact O-CB 3.24Å; C613-Y617 WeakPolarHBondContact O-CB 3.3Å; C613-Y617 PolarHBondContact O-N 3.28Å; Y617-R619 VanDerWaalsContact C-N 3.33Å; Y617-R619 PolarHBondContact O-N 3.46Å; Y617-C620 PolarHBondContact O-N 2.66Å; Y617-V621 HydrophobicContact CD1-CG2 4.11Å; Y617-V621 HydrophobicContact CE1-CG2 3.66Å; Y617-V621 WeakPolarHBondContact O-CG2 3.49Å; Y617-V621 PolarHBondContact O-N 2.94Å; Y617-V621 VanDerWaalsContact O-N 3.1Å; Y617-L656 HydrophobicContact CD2-CD2 3.35Å; Y617-L656 HydrophobicContact CE2-CD2 3.55Å; Y617-L656 HydrophobicContact CG-CD2 3.98Å; Y617-L659 HydrophobicContact CD2-CD1 4.42Å; Y617-I667 HydrophobicContact CD2-CD1 4.05Å; Y617-I667 HydrophobicContact CD2-CG1 4.27Å; Y617-I667 HydrophobicContact CE2-CD1 4.02Å; Y617-I667 HydrophobicContact CE2-CG1 4.23Å; Y617-L670 HydrophobicContact CD1-CB 3.94Å; Y617-L670 HydrophobicContact CD2-CB 4.2Å; Y617-L670 HydrophobicContact CD2-CD1 4.26Å; Y617-L670 HydrophobicContact CE1-CB 3.99Å; Y617-L670 HydrophobicContact CE2-CB 4.23Å; Y617-L670 HydrophobicContact CG-CB 4.07Å; Y617-L670 HydrophobicContact CG-CD1 4.04Å; Y617-V671 HydrophobicContact CE2-CG2 4.3Å; Y617-S674 WeakPolarHBondContact OH-CB 3.37Å; Y617-S674 PolarHBondContact OH-OG 3.26Å; Y617-I676 WeakPolarHBondContact OH-CG2 3.21Å |
| 618 | Q | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.9 | -37.7 | -177.5 | -173 | 60.8 | 55 | 0 | 0 | 112.5 | E614 V616 N622 | E614-Q618 WeakPolarHBondContact O-CB 3.45Å; E614-Q618 PolarHBondContact O-N 2.8Å; E614-Q618 VanDerWaalsContact O-N 3.09Å; V616-Q618 VanDerWaalsContact C-N 3.33Å; V616-Q618 PolarHBondContact O-N 3.38Å; Q618-N622 PolarHBondContact NE2-OD1 3.45Å; Q618-N622 WeakPolarHBondContact O-CB 3.44Å; Q618-N622 PolarHBondContact O-N 3.37Å; Q618-N622 VanDerWaalsContact O-N 3.12Å; Q618-N622 PolarHBondContact O-ND2 3.41Å |
| 619 | R | 98.4 | Very high | 98 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 178 | -168.2 | 179.6 | -168.5 | 171.7 | 2.2 | 111.5 | W581 L584 D586 P615 V616 Y617 V621 N622 L623 | W581-R619 HydrophobicContact CH2-CB 3.76Å; W581-R619 VanDerWaalsContact CH2-CD 3.5Å; W581-R619 HydrophobicContact CH2-CG 4.14Å; W581-R619 HydrophobicContact CZ2-CB 3.45Å; W581-R619 VanDerWaalsContact CZ2-CB 3.45Å; W581-R619 HydrophobicContact CZ2-CG 3.9Å; W581-R619 PolarHBondContact O-NH1 2.92Å; L584-R619 PolarHBondContact O-NH2 3.21Å; D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 IonicContact OD1-NE 2.86Å; D586-R619 PolarHBondContact OD1-NE 2.68Å; D586-R619 IonicContact OD1-NH2 3.66Å; D586-R619 PolarHBondContact OD1-NH2 3.15Å; P615-R619 PolarHBondContact O-N 3.06Å; P615-R619 VanDerWaalsContact O-N 3.16Å; V616-R619 PolarHBondContact O-N 3.37Å; Y617-R619 VanDerWaalsContact C-N 3.33Å; Y617-R619 PolarHBondContact O-N 3.46Å; R619-V621 PolarHBondContact O-N 3.28Å; R619-N622 WeakPolarHBondContact O-CB 3.27Å; R619-N622 PolarHBondContact O-N 3.14Å; R619-N622 VanDerWaalsContact O-N 3.14Å; R619-L623 HydrophobicContact CG-CD1 4.44Å; R619-L623 WeakPolarHBondContact O-CG 3.28Å; R619-L623 PolarHBondContact O-N 2.79Å |
| 620 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 177.4 | -64.8 | 0 | 0 | 0 | 0 | 112 | V616 Y617 N622 L623 V624 A652 L656 | V616-C620 PolarHBondContact O-N 3.47Å; V616-C620 VanDerWaalsContact O-N 3.13Å; V616-C620 PolarHBondContact O-SG 3.43Å; V616-C620 VanDerWaalsContact O-SG 3.39Å; Y617-C620 PolarHBondContact O-N 2.66Å; C620-N622 VanDerWaalsContact C-N 3.26Å; C620-N622 PolarHBondContact O-N 2.79Å; C620-L623 PolarHBondContact O-N 2.9Å; C620-V624 WeakPolarHBondContact O-CG2 3.49Å; C620-V624 PolarHBondContact O-N 3Å; C620-V624 VanDerWaalsContact O-N 3.08Å; C620-A652 HydrophobicContact CB-CB 3.99Å; C620-L656 HydrophobicContact CB-CD1 3.8Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.56Å |
| 621 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | Y617 R619 Q625 L656 I676 L679 | Y617-V621 HydrophobicContact CD1-CG2 4.11Å; Y617-V621 HydrophobicContact CE1-CG2 3.66Å; Y617-V621 WeakPolarHBondContact O-CG2 3.49Å; Y617-V621 PolarHBondContact O-N 2.94Å; Y617-V621 VanDerWaalsContact O-N 3.1Å; R619-V621 PolarHBondContact O-N 3.28Å; V621-Q625 WeakPolarHBondContact O-CB 3.24Å; V621-Q625 PolarHBondContact O-N 3.05Å; V621-L656 HydrophobicContact CG2-CD1 4.22Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; V621-I676 HydrophobicContact CG2-CD1 4.47Å; V621-L679 HydrophobicContact CG1-CD1 3.94Å |
| 622 | N | 98.4 | Very high | 97.6 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.8 | -72.3 | -21.6 | 0 | 0 | 0 | 112.8 | Q618 R619 C620 Q625 K626 | Q618-N622 PolarHBondContact NE2-OD1 3.45Å; Q618-N622 WeakPolarHBondContact O-CB 3.44Å; Q618-N622 PolarHBondContact O-N 3.37Å; Q618-N622 VanDerWaalsContact O-N 3.12Å; Q618-N622 PolarHBondContact O-ND2 3.41Å; R619-N622 WeakPolarHBondContact O-CB 3.27Å; R619-N622 PolarHBondContact O-N 3.14Å; R619-N622 VanDerWaalsContact O-N 3.14Å; C620-N622 VanDerWaalsContact C-N 3.26Å; C620-N622 PolarHBondContact O-N 2.79Å; N622-Q625 PolarHBondContact O-N 2.79Å; N622-K626 WeakPolarHBondContact O-CB 3.43Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.25Å; N622-K626 PolarHBondContact O-N 3.41Å |
| 623 | L | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 176.4 | -74.5 | 171.4 | 0 | 0 | 0 | 110.6 | D586 L595 R619 C620 Q625 K626 T627 A652 | D586-L623 HydrophobicContact CB-CD2 3.66Å; L595-L623 HydrophobicContact CD1-CD1 4.37Å; R619-L623 HydrophobicContact CG-CD1 4.44Å; R619-L623 WeakPolarHBondContact O-CG 3.28Å; R619-L623 PolarHBondContact O-N 2.79Å; C620-L623 PolarHBondContact O-N 2.9Å; L623-Q625 VanDerWaalsContact C-N 3.29Å; L623-Q625 PolarHBondContact O-N 3.4Å; L623-K626 PolarHBondContact O-N 2.85Å; L623-T627 PolarHBondContact O-N 2.79Å; L623-T627 PolarHBondContact O-OG1 3.07Å; L623-T627 VanDerWaalsContact O-OG1 3.09Å; L623-A652 HydrophobicContact CB-CB 4.04Å; L623-A652 HydrophobicContact CD1-CB 4.26Å |
| 624 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.7 | -47.1 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | C620 K626 T627 L628 M649 A652 L653 L679 | C620-V624 WeakPolarHBondContact O-CG2 3.49Å; C620-V624 PolarHBondContact O-N 3Å; C620-V624 VanDerWaalsContact O-N 3.08Å; V624-K626 PolarHBondContact O-N 3.24Å; V624-T627 PolarHBondContact O-N 3.33Å; V624-L628 HydrophobicContact CG1-CD1 4.03Å; V624-L628 WeakPolarHBondContact O-CG 3.19Å; V624-L628 PolarHBondContact O-N 2.97Å; V624-M649 HydrophobicContact CB-CG 4.39Å; V624-M649 HydrophobicContact CG1-CG 4.12Å; V624-M649 HydrophobicContact CG1-SD 4.23Å; V624-M649 HydrophobicContact CG2-CG 4.15Å; V624-A652 HydrophobicContact CG2-CB 3.92Å; V624-L653 HydrophobicContact CG2-CD2 4.03Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; V624-L679 HydrophobicContact CB-CD1 4.44Å; V624-L679 HydrophobicContact CG1-CB 4.11Å; V624-L679 HydrophobicContact CG1-CD1 4.17Å |
| 625 | Q | 98.4 | Very high | 97.1 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -42.6 | -179.4 | -174.8 | 172.9 | -46.3 | 0 | 0 | 112.9 | V621 N622 L623 A629 N675 L679 | V621-Q625 WeakPolarHBondContact O-CB 3.24Å; V621-Q625 PolarHBondContact O-N 3.05Å; N622-Q625 PolarHBondContact O-N 2.79Å; L623-Q625 VanDerWaalsContact C-N 3.29Å; L623-Q625 PolarHBondContact O-N 3.4Å; Q625-A629 WeakPolarHBondContact O-CB 3.5Å; Q625-A629 PolarHBondContact O-N 2.83Å; Q625-A629 VanDerWaalsContact O-N 3.11Å; Q625-N675 PolarHBondContact OE1-ND2 3.36Å; Q625-L679 HydrophobicContact CB-CD1 4.07Å; Q625-L679 HydrophobicContact CB-CD2 4.25Å; Q625-L679 HydrophobicContact CG-CD2 4.31Å |
| 626 | K | 97.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 178 | -75.5 | 174.9 | 179.5 | -178.7 | 0 | 111.4 | D586 N622 L623 V624 A629 Q630 | D586-K626 IonicContact OD2-NZ 2.84Å; D586-K626 PolarHBondContact OD2-NZ 3.43Å; N622-K626 WeakPolarHBondContact O-CB 3.43Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.25Å; N622-K626 PolarHBondContact O-N 3.41Å; L623-K626 PolarHBondContact O-N 2.85Å; V624-K626 PolarHBondContact O-N 3.24Å; K626-A629 PolarHBondContact O-N 2.77Å; K626-Q630 WeakPolarHBondContact O-CB 3.45Å; K626-Q630 PolarHBondContact O-N 2.97Å |
| 627 | T | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | L623 V624 A629 Q630 A631 P644 K646 M649 | L623-T627 PolarHBondContact O-N 2.79Å; L623-T627 PolarHBondContact O-OG1 3.07Å; L623-T627 VanDerWaalsContact O-OG1 3.09Å; V624-T627 PolarHBondContact O-N 3.33Å; T627-A629 PolarHBondContact O-N 2.98Å; T627-Q630 PolarHBondContact O-N 3.45Å; T627-A631 WeakPolarHBondContact O-CB 3.47Å; T627-A631 PolarHBondContact O-N 3.32Å; T627-P644 HydrophobicContact CG2-CB 4.07Å; T627-P644 HydrophobicContact CG2-CG 4.24Å; T627-K646 HydrophobicContact CG2-CG 4.38Å; T627-M649 HydrophobicContact CG2-CB 3.8Å; T627-M649 HydrophobicContact CG2-CE 4.2Å; T627-M649 HydrophobicContact CG2-SD 4.37Å |
| 628 | L | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.1 | -73.3 | 172.7 | 0 | 0 | 0 | 112.2 | V624 A631 M632 M649 L679 Q682 | V624-L628 HydrophobicContact CG1-CD1 4.03Å; V624-L628 WeakPolarHBondContact O-CG 3.19Å; V624-L628 PolarHBondContact O-N 2.97Å; L628-A631 PolarHBondContact O-N 2.85Å; L628-M632 WeakPolarHBondContact O-CG 3.31Å; L628-M632 PolarHBondContact O-N 3.43Å; L628-M649 HydrophobicContact CD2-SD 3.85Å; L628-M649 HydrophobicContact CG-SD 3.85Å; L628-L679 HydrophobicContact CD1-CB 4.38Å; L628-L679 HydrophobicContact CD1-CD2 4.14Å; L628-Q682 HydrophobicContact CD1-CB 4.03Å; L628-Q682 HydrophobicContact CD2-CB 4.23Å |
| 629 | A | 96.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 58 Ų | 58 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q625 K626 T627 M632 L633 | Q625-A629 WeakPolarHBondContact O-CB 3.5Å; Q625-A629 PolarHBondContact O-N 2.83Å; Q625-A629 VanDerWaalsContact O-N 3.11Å; K626-A629 PolarHBondContact O-N 2.77Å; T627-A629 PolarHBondContact O-N 2.98Å; A629-M632 PolarHBondContact O-N 3.34Å; A629-L633 WeakPolarHBondContact O-CG 3.46Å; A629-L633 PolarHBondContact O-N 3.41Å |
| 630 | Q | 95.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 63 Ų | 63 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.1 | -174.8 | 62.2 | 27 | 0 | 0 | 111.7 | K626 T627 M632 L633 N634 E642 P644 | K626-Q630 WeakPolarHBondContact O-CB 3.45Å; K626-Q630 PolarHBondContact O-N 2.97Å; T627-Q630 PolarHBondContact O-N 3.45Å; Q630-M632 VanDerWaalsContact C-N 3.32Å; Q630-M632 PolarHBondContact O-N 3.37Å; Q630-L633 PolarHBondContact O-N 2.98Å; Q630-N634 PolarHBondContact O-N 2.86Å; Q630-E642 PolarHBondContact NE2-O 2.85Å; Q630-P644 HydrophobicContact CB-CB 3.97Å; Q630-P644 HydrophobicContact CB-CG 4.19Å; Q630-P644 HydrophobicContact CG-CB 3.77Å; Q630-P644 HydrophobicContact CG-CG 4.16Å |
| 631 | A | 95.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 67 Ų | 67 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T627 L628 N635 P644 | T627-A631 WeakPolarHBondContact O-CB 3.47Å; T627-A631 PolarHBondContact O-N 3.32Å; L628-A631 PolarHBondContact O-N 2.85Å; A631-N635 WeakPolarHBondContact O-CB 3.37Å; A631-N635 PolarHBondContact O-N 2.95Å; A631-P644 HydrophobicContact CB-CG 3.74Å |
| 632 | M | 94.1 | Very high | 94.5 | Very high | 105 Ų | 105 | 75 Ų | 75 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.6 | -68.7 | 178.5 | -173.2 | 0 | 0 | 112.2 | L628 A629 Q630 N635 A636 | L628-M632 WeakPolarHBondContact O-CG 3.31Å; L628-M632 PolarHBondContact O-N 3.43Å; A629-M632 PolarHBondContact O-N 3.34Å; Q630-M632 VanDerWaalsContact C-N 3.32Å; Q630-M632 PolarHBondContact O-N 3.37Å; M632-N635 PolarHBondContact O-N 3.45Å; M632-A636 WeakPolarHBondContact O-CB 3.27Å; M632-A636 PolarHBondContact O-N 2.59Å; M632-A636 VanDerWaalsContact O-N 3.07Å |
| 633 | L | 94.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.3 | -71 | 174.7 | 0 | 0 | 0 | 112.1 | A629 Q630 N635 A636 Q637 Y641 | A629-L633 WeakPolarHBondContact O-CG 3.46Å; A629-L633 PolarHBondContact O-N 3.41Å; Q630-L633 PolarHBondContact O-N 2.98Å; L633-N635 PolarHBondContact O-N 2.66Å; L633-A636 PolarHBondContact O-N 3.25Å; L633-Q637 PolarHBondContact O-N 3.04Å; L633-Y641 HydrophobicContact CB-CD1 4.25Å; L633-Y641 HydrophobicContact CB-CD2 4.01Å; L633-Y641 HydrophobicContact CB-CE2 4.42Å; L633-Y641 HydrophobicContact CB-CG 3.92Å; L633-Y641 HydrophobicContact CD1-CD1 4.37Å; L633-Y641 HydrophobicContact CD1-CE1 4.25Å |
| 634 | N | 95.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 76 Ų | 76 | 19% | 0.187 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.4 | 169.1 | -102.2 | 0 | 0 | 0 | 111.6 | Q630 A636 Q637 P638 Y641 A643 | Q630-N634 PolarHBondContact O-N 2.86Å; N634-A636 VanDerWaalsContact C-N 3.26Å; N634-A636 PolarHBondContact O-N 3.1Å; N634-Q637 CarbonylContact O-C 3.51Å; N634-Q637 VanDerWaalsContact O-C 3.26Å; N634-Q637 PolarHBondContact O-N 3.38Å; N634-P638 WeakPolarHBondContact O-CA 3.34Å; N634-P638 VanDerWaalsContact O-CD 3.23Å; N634-P638 WeakPolarHBondContact O-CD 3.43Å; N634-P638 VanDerWaalsContact O-CG 3.25Å; N634-P638 WeakPolarHBondContact O-CG 3.44Å; N634-Y641 PolarHBondContact ND2-O 2.88Å; N634-A643 PolarHBondContact ND2-N 3.05Å |
| 635 | N | 92.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 78.5 Ų | 78.5 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.8 | -31.5 | 178.6 | -171.4 | 61.2 | 0 | 0 | 0 | 113 | A631 M632 L633 | A631-N635 WeakPolarHBondContact O-CB 3.37Å; A631-N635 PolarHBondContact O-N 2.95Å; M632-N635 PolarHBondContact O-N 3.45Å; L633-N635 PolarHBondContact O-N 2.66Å |
| 636 | A | 94.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 75.6 Ų | 75.6 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -77.8 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | M632 L633 N634 | M632-A636 WeakPolarHBondContact O-CB 3.27Å; M632-A636 PolarHBondContact O-N 2.59Å; M632-A636 VanDerWaalsContact O-N 3.07Å; L633-A636 PolarHBondContact O-N 3.25Å; N634-A636 VanDerWaalsContact C-N 3.26Å; N634-A636 PolarHBondContact O-N 3.1Å |
| 637 | Q | 93.1 | Very high | 93.6 | Very high | 86 Ų | 86 | 71.4 Ų | 71.4 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | trans | -142.2 | 76.9 | -177.3 | -65.7 | -179.9 | -12.8 | 0 | 0 | 111.1 | L633 N634 D639 Q640 Y641 | L633-Q637 PolarHBondContact O-N 3.04Å; N634-Q637 CarbonylContact O-C 3.51Å; N634-Q637 VanDerWaalsContact O-C 3.26Å; N634-Q637 PolarHBondContact O-N 3.38Å; Q637-D639 PolarHBondContact O-N 3.3Å; Q637-Q640 HydrophobicContact CB-CB 4.22Å; Q637-Q640 PolarHBondContact O-N 3.33Å; Q637-Q640 VanDerWaalsContact O-N 3.08Å; Q637-Q640 VanDerWaalsContact OE1-OE1 3.1Å; Q637-Y641 HydrophobicContact CB-CD2 4.02Å; Q637-Y641 HydrophobicContact CB-CE2 4.27Å; Q637-Y641 PolarHBondContact O-N 3.2Å; Q637-Y641 VanDerWaalsContact O-N 3.16Å | ||
| 638 | P | 90.2 | Very high | 93.5 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.4 | -174.1 | -23.1 | 32.1 | 0 | 0 | 0 | 114 | N634 Q640 | N634-P638 WeakPolarHBondContact O-CA 3.34Å; N634-P638 VanDerWaalsContact O-CD 3.23Å; N634-P638 WeakPolarHBondContact O-CD 3.43Å; N634-P638 VanDerWaalsContact O-CG 3.25Å; N634-P638 WeakPolarHBondContact O-CG 3.44Å; P638-Q640 VanDerWaalsContact C-N 3.29Å; P638-Q640 PolarHBondContact O-N 2.74Å |
| 639 | D | 87.3 | Confident | 93.4 | Very high | 169 Ų | 169 | 71 Ų | 71 | 90% | 0.904 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.1 | -179.5 | -55.4 | -41.5 | 0 | 0 | 0 | 113.4 | Q637 | Q637-D639 PolarHBondContact O-N 3.3Š|
| 640 | Q | 89.2 | Confident | 93.4 | Very high | 138 Ų | 138 | 68.7 Ų | 68.7 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -32.8 | -176.5 | -66.4 | -174.7 | 31.5 | 0 | 0 | 113.5 | Q637 P638 | Q637-Q640 HydrophobicContact CB-CB 4.22Å; Q637-Q640 PolarHBondContact O-N 3.33Å; Q637-Q640 VanDerWaalsContact O-N 3.08Å; Q637-Q640 VanDerWaalsContact OE1-OE1 3.1Å; P638-Q640 VanDerWaalsContact C-N 3.29Å; P638-Q640 PolarHBondContact O-N 2.74Å |
| 641 | Y | 89.6 | Confident | 93.4 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -119.4 | 129.6 | -177.9 | -61.4 | -80.6 | 0 | 0 | 0 | 109.5 | L633 N634 Q637 | L633-Y641 HydrophobicContact CB-CD1 4.25Å; L633-Y641 HydrophobicContact CB-CD2 4.01Å; L633-Y641 HydrophobicContact CB-CE2 4.42Å; L633-Y641 HydrophobicContact CB-CG 3.92Å; L633-Y641 HydrophobicContact CD1-CD1 4.37Å; L633-Y641 HydrophobicContact CD1-CE1 4.25Å; N634-Y641 PolarHBondContact ND2-O 2.88Å; Q637-Y641 HydrophobicContact CB-CD2 4.02Å; Q637-Y641 HydrophobicContact CB-CE2 4.27Å; Q637-Y641 PolarHBondContact O-N 3.2Å; Q637-Y641 VanDerWaalsContact O-N 3.16Å |
| 642 | E | 91.1 | Very high | 93.5 | Very high | 167 Ų | 167 | 64.8 Ų | 64.8 | 78% | 0.78 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 146.4 | 173.2 | -166.9 | 170.2 | -173 | 0 | 0 | 110.7 | Q630 | Q630-E642 PolarHBondContact NE2-O 2.85Š|
| 643 | A | 91.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | N634 | N634-A643 PolarHBondContact ND2-N 3.05Š|
| 644 | P | 95.2 | Very high | 93.8 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 149.5 | 178.9 | 31.1 | -34.8 | 0 | 0 | 0 | 111 | T627 Q630 A631 K646 | T627-P644 HydrophobicContact CG2-CB 4.07Å; T627-P644 HydrophobicContact CG2-CG 4.24Å; Q630-P644 HydrophobicContact CB-CB 3.97Å; Q630-P644 HydrophobicContact CB-CG 4.19Å; Q630-P644 HydrophobicContact CG-CB 3.77Å; Q630-P644 HydrophobicContact CG-CG 4.16Å; A631-P644 HydrophobicContact CB-CG 3.74Å; P644-K646 PolarHBondContact O-N 3.43Å |
| 645 | D | 94.3 | Very high | 94 | Very high | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -71 | 117.3 | 163.8 | -167.6 | -21 | 0 | 0 | 0 | 108.9 | K589 D647 F648 | K589-D645 VanDerWaalsContact CE-OD2 3.26Å; K589-D645 WeakPolarHBondContact CE-OD2 3.2Å; K589-D645 IonicContact NZ-OD2 2.78Å; K589-D645 PolarHBondContact NZ-OD2 3.39Å; D645-D647 VanDerWaalsContact C-N 3.33Å; D645-D647 WeakPolarHBondContact OD1-CB 3.25Å; D645-D647 PolarHBondContact OD1-N 3.2Å; D645-D647 VanDerWaalsContact OD1-N 3.12Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.16Å |
| 646 | K | 95.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.8 | -10.9 | -174.4 | -69 | -165.5 | -178.3 | -163.9 | 0 | 112.8 | T627 P644 F648 M649 I650 D686 M688 V691 | T627-K646 HydrophobicContact CG2-CG 4.38Å; P644-K646 PolarHBondContact O-N 3.43Å; K646-F648 PolarHBondContact O-N 3.21Å; K646-M649 HydrophobicContact CB-CE 4.28Å; K646-M649 HydrophobicContact CD-CE 4.04Å; K646-M649 HydrophobicContact CG-CE 4.19Å; K646-M649 WeakPolarHBondContact O-CA 3.42Å; K646-M649 WeakPolarHBondContact O-CB 3.19Å; K646-M649 PolarHBondContact O-N 2.87Å; K646-I650 WeakPolarHBondContact O-CG1 3.41Å; K646-I650 PolarHBondContact O-N 2.9Å; K646-D686 IonicContact NZ-OD1 3.21Å; K646-D686 PolarHBondContact NZ-OD1 3.02Å; K646-D686 IonicContact NZ-OD2 3.5Å; K646-D686 PolarHBondContact NZ-OD2 3.36Å; K646-M688 HydrophobicContact CB-CE 4.32Å; K646-M688 HydrophobicContact CB-SD 3.58Å; K646-M688 VanDerWaalsContact CB-SD 3.58Å; K646-M688 HydrophobicContact CD-CB 4.25Å; K646-M688 HydrophobicContact CD-CE 4.31Å; K646-M688 HydrophobicContact CD-SD 3.72Å; K646-M688 HydrophobicContact CG-SD 4.2Å; K646-V691 HydrophobicContact CB-CG2 4.29Å; K646-V691 HydrophobicContact CD-CG2 4.11Å |
| 647 | D | 93.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 178.2 | -69.3 | 3.2 | 0 | 0 | 0 | 111.4 | F347 H348 F592 D645 M649 I650 V651 | F347-D647 WeakPolarHBondContact CA-OD2 3.37Å; F347-D647 WeakPolarHBondContact CB-OD2 3.28Å; F347-D647 WeakPolarHBondContact CD1-OD2 3.25Å; H348-D647 HydrophobicContact CB-CB 4.21Å; H348-D647 PolarHBondContact N-OD2 3.05Å; F592-D647 HydrophobicContact CE1-CB 3.97Å; F592-D647 HydrophobicContact CE2-CB 3.94Å; F592-D647 HydrophobicContact CZ-CB 3.56Å; D645-D647 VanDerWaalsContact C-N 3.33Å; D645-D647 WeakPolarHBondContact OD1-CB 3.25Å; D645-D647 PolarHBondContact OD1-N 3.2Å; D645-D647 VanDerWaalsContact OD1-N 3.12Å; D647-M649 PolarHBondContact O-N 3.13Å; D647-I650 PolarHBondContact O-N 3.29Å; D647-I650 VanDerWaalsContact O-N 3.13Å; D647-V651 WeakPolarHBondContact O-CG1 3.46Å; D647-V651 PolarHBondContact O-N 2.99Å |
| 648 | F | 95.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -34.3 | 172.2 | -72.4 | -78.7 | 0 | 0 | 0 | 113.4 | D586 E587 D588 K589 L591 F592 D645 K646 A652 | D586-F648 WeakPolarHBondContact O-CD1 3.4Å; D586-F648 VanDerWaalsContact O-CE1 3.22Å; D586-F648 WeakPolarHBondContact O-CE1 3.4Å; E587-F648 VanDerWaalsContact C-CZ 3.49Å; D588-F648 WeakPolarHBondContact O-CE1 3.47Å; K589-F648 HydrophobicContact CG-CZ 4.23Å; L591-F648 HydrophobicContact CB-CE1 4.45Å; L591-F648 HydrophobicContact CD1-CD1 4.38Å; L591-F648 HydrophobicContact CD1-CE1 4.15Å; F592-F648 HydrophobicContact CD1-CD1 4.49Å; F592-F648 HydrophobicContact CD1-CE1 4.48Å; F592-F648 AromaticContact CE1-CD1 3.64Å; F592-F648 HydrophobicContact CE1-CD1 3.64Å; F592-F648 AromaticContact CE1-CD2 3.96Å; F592-F648 HydrophobicContact CE1-CD2 3.96Å; F592-F648 AromaticContact CE1-CE1 3.65Å; F592-F648 HydrophobicContact CE1-CE1 3.65Å; F592-F648 AromaticContact CE1-CE2 3.97Å; F592-F648 HydrophobicContact CE1-CE2 3.97Å; F592-F648 AromaticContact CE1-CG 3.79Å; F592-F648 HydrophobicContact CE1-CG 3.79Å; F592-F648 AromaticContact CE1-CZ 3.82Å; F592-F648 HydrophobicContact CE1-CZ 3.82Å; F592-F648 HydrophobicContact CZ-CD1 4.45Å; F592-F648 HydrophobicContact CZ-CD2 4.05Å; F592-F648 HydrophobicContact CZ-CE1 4.24Å; F592-F648 AromaticContact CZ-CE2 3.82Å; F592-F648 HydrophobicContact CZ-CE2 3.82Å; F592-F648 HydrophobicContact CZ-CG 4.35Å; F592-F648 AromaticContact CZ-CZ 3.92Å; F592-F648 HydrophobicContact CZ-CZ 3.92Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.16Å; K646-F648 PolarHBondContact O-N 3.21Å; F648-A652 WeakPolarHBondContact O-CB 3.14Å; F648-A652 PolarHBondContact O-N 3.45Å |
| 649 | M | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.8 | -41.5 | 177.1 | 173.2 | 171.6 | 59.7 | 0 | 0 | 110.9 | V624 T627 L628 K646 D647 A652 L653 V691 | V624-M649 HydrophobicContact CB-CG 4.39Å; V624-M649 HydrophobicContact CG1-CG 4.12Å; V624-M649 HydrophobicContact CG1-SD 4.23Å; V624-M649 HydrophobicContact CG2-CG 4.15Å; T627-M649 HydrophobicContact CG2-CB 3.8Å; T627-M649 HydrophobicContact CG2-CE 4.2Å; T627-M649 HydrophobicContact CG2-SD 4.37Å; L628-M649 HydrophobicContact CD2-SD 3.85Å; L628-M649 HydrophobicContact CG-SD 3.85Å; K646-M649 HydrophobicContact CB-CE 4.28Å; K646-M649 HydrophobicContact CD-CE 4.04Å; K646-M649 HydrophobicContact CG-CE 4.19Å; K646-M649 WeakPolarHBondContact O-CA 3.42Å; K646-M649 WeakPolarHBondContact O-CB 3.19Å; K646-M649 PolarHBondContact O-N 2.87Å; D647-M649 PolarHBondContact O-N 3.13Å; M649-A652 PolarHBondContact O-N 3.21Å; M649-L653 HydrophobicContact CG-CD1 3.98Å; M649-L653 HydrophobicContact CG-CG 4.46Å; M649-L653 WeakPolarHBondContact O-CB 3.44Å; M649-L653 WeakPolarHBondContact O-CG 3.27Å; M649-L653 PolarHBondContact O-N 3.08Å; M649-V691 HydrophobicContact CE-CB 4.11Å; M649-V691 HydrophobicContact CE-CG1 3.42Å; M649-V691 VanDerWaalsContact CE-CG1 3.42Å; M649-V691 HydrophobicContact CE-CG2 3.48Å; M649-V691 VanDerWaalsContact CE-CG2 3.48Å; M649-V691 HydrophobicContact SD-CG1 4.08Å |
| 650 | I | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -51.9 | 179.5 | -59.7 | 165.1 | 0 | 0 | 0 | 109.5 | H348 K646 D647 A652 L653 D654 M688 E690 V691 S694 | H348-I650 WeakPolarHBondContact CD2-CG2 3.27Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.43Å; K646-I650 WeakPolarHBondContact O-CG1 3.41Å; K646-I650 PolarHBondContact O-N 2.9Å; D647-I650 PolarHBondContact O-N 3.29Å; D647-I650 VanDerWaalsContact O-N 3.13Å; I650-A652 VanDerWaalsContact C-N 3.28Å; I650-A652 PolarHBondContact O-N 3.38Å; I650-L653 WeakPolarHBondContact O-CB 3.16Å; I650-L653 PolarHBondContact O-N 3.3Å; I650-D654 PolarHBondContact O-N 3.42Å; I650-M688 HydrophobicContact CD1-SD 4.11Å; I650-E690 HydrophobicContact CD1-CB 3.62Å; I650-E690 HydrophobicContact CG1-CB 4.42Å; I650-V691 HydrophobicContact CD1-CG2 4.08Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; I650-S694 VanDerWaalsContact CG2-OG 3.24Å; I650-S694 WeakPolarHBondContact CG2-OG 3.46Å |
| 651 | V | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -33.5 | -179.2 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | H348 F592 L595 E596 D647 D654 L655 | H348-V651 HydrophobicContact CB-CB 4.29Å; H348-V651 VanDerWaalsContact CD2-CA 3.46Å; H348-V651 WeakPolarHBondContact CD2-CA 3.36Å; H348-V651 PolarHBondContact CD2-N 3.29Å; H348-V651 VanDerWaalsContact NE2-CA 3.31Å; H348-V651 WeakPolarHBondContact NE2-CA 3.32Å; H348-V651 PolarHBondContact NE2-N 3.47Å; F592-V651 HydrophobicContact CD1-CG1 4.03Å; L595-V651 HydrophobicContact CB-CG1 4.47Å; L595-V651 HydrophobicContact CB-CG2 3.51Å; L595-V651 HydrophobicContact CD1-CG1 4.14Å; L595-V651 HydrophobicContact CG-CG2 4.45Å; E596-V651 HydrophobicContact CG-CG2 4.08Å; D647-V651 WeakPolarHBondContact O-CG1 3.46Å; D647-V651 PolarHBondContact O-N 2.99Å; V651-D654 PolarHBondContact O-N 3.23Å; V651-L655 WeakPolarHBondContact O-CB 3.36Å; V651-L655 PolarHBondContact O-N 3.27Å |
| 652 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.6 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C620 L623 V624 F648 M649 I650 L656 | C620-A652 HydrophobicContact CB-CB 3.99Å; L623-A652 HydrophobicContact CB-CB 4.04Å; L623-A652 HydrophobicContact CD1-CB 4.26Å; V624-A652 HydrophobicContact CG2-CB 3.92Å; F648-A652 WeakPolarHBondContact O-CB 3.14Å; F648-A652 PolarHBondContact O-N 3.45Å; M649-A652 PolarHBondContact O-N 3.21Å; I650-A652 VanDerWaalsContact C-N 3.28Å; I650-A652 PolarHBondContact O-N 3.38Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.25Å; A652-L656 PolarHBondContact O-N 3.27Å; A652-L656 VanDerWaalsContact O-N 3.1Å |
| 653 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.6 | -72.3 | 168.3 | 0 | 0 | 0 | 111.1 | V624 M649 I650 L656 S657 C683 L698 | V624-L653 HydrophobicContact CG2-CD2 4.03Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; M649-L653 HydrophobicContact CG-CD1 3.98Å; M649-L653 HydrophobicContact CG-CG 4.46Å; M649-L653 WeakPolarHBondContact O-CB 3.44Å; M649-L653 WeakPolarHBondContact O-CG 3.27Å; M649-L653 PolarHBondContact O-N 3.08Å; I650-L653 WeakPolarHBondContact O-CB 3.16Å; I650-L653 PolarHBondContact O-N 3.3Å; L653-L656 WeakPolarHBondContact O-CB 3.39Å; L653-L656 PolarHBondContact O-N 2.97Å; L653-S657 PolarHBondContact O-N 3.28Å; L653-C683 HydrophobicContact CD1-CB 4.3Å; L653-L698 HydrophobicContact CD2-CD2 3.76Å |
| 654 | D | 96.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.043 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 179.8 | -73.7 | -3 | 0 | 0 | 0 | 111.8 | H348 R351 S599 I650 V651 L656 S657 G658 S694 | H348-D654 IonicContact CE1-OD2 3.82Å; H348-D654 IonicContact NE2-OD2 3.53Å; H348-D654 PolarHBondContact NE2-OD2 3.04Å; R351-D654 WeakPolarHBondContact CB-OD2 3.41Å; R351-D654 PolarHBondContact N-OD2 3.14Å; S599-D654 PolarHBondContact OG-O 2.95Å; I650-D654 PolarHBondContact O-N 3.42Å; V651-D654 PolarHBondContact O-N 3.23Å; D654-L656 VanDerWaalsContact C-N 3.33Å; D654-L656 PolarHBondContact O-N 3.34Å; D654-S657 WeakPolarHBondContact O-CA 3.44Å; D654-S657 WeakPolarHBondContact O-CB 3.4Å; D654-S657 PolarHBondContact O-N 2.97Å; D654-S657 VanDerWaalsContact O-N 3.12Å; D654-G658 PolarHBondContact O-N 2.86Å; D654-S694 WeakPolarHBondContact OD1-CA 3.43Å; D654-S694 WeakPolarHBondContact OD1-CB 3.3Å; D654-S694 PolarHBondContact OD1-OG 3.19Å; D654-S694 PolarHBondContact OD2-OG 3.31Å |
| 655 | L | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.2 | -35 | 171.5 | 179.1 | 53.5 | 0 | 0 | 0 | 112.5 | W581 L595 L598 V616 V651 S657 G658 L659 | W581-L655 HydrophobicContact CZ3-CD2 4.3Å; L595-L655 HydrophobicContact CB-CD2 4.1Å; L595-L655 HydrophobicContact CD1-CD2 4.03Å; L595-L655 HydrophobicContact CD2-CD2 3.98Å; L595-L655 HydrophobicContact CG-CD2 4.24Å; L598-L655 HydrophobicContact CB-CD1 3.98Å; L598-L655 HydrophobicContact CB-CD2 4.25Å; V616-L655 HydrophobicContact CG1-CD1 4.33Å; V616-L655 HydrophobicContact CG1-CD2 3.63Å; V616-L655 HydrophobicContact CG1-CG 4.03Å; V651-L655 WeakPolarHBondContact O-CB 3.36Å; V651-L655 PolarHBondContact O-N 3.27Å; L655-S657 VanDerWaalsContact C-N 3.3Å; L655-G658 PolarHBondContact O-N 2.96Å; L655-L659 HydrophobicContact CD1-CG 4.46Å; L655-L659 WeakPolarHBondContact O-CB 3.22Å; L655-L659 WeakPolarHBondContact O-CG 3.36Å; L655-L659 PolarHBondContact O-N 2.96Å |
| 656 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 172.2 | -73.9 | 166.3 | 0 | 0 | 0 | 111.7 | Y617 C620 V621 A652 L653 D654 A660 I676 L698 | Y617-L656 HydrophobicContact CD2-CD2 3.35Å; Y617-L656 HydrophobicContact CE2-CD2 3.55Å; Y617-L656 HydrophobicContact CG-CD2 3.98Å; C620-L656 HydrophobicContact CB-CD1 3.8Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.56Å; V621-L656 HydrophobicContact CG2-CD1 4.22Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.25Å; A652-L656 PolarHBondContact O-N 3.27Å; A652-L656 VanDerWaalsContact O-N 3.1Å; L653-L656 WeakPolarHBondContact O-CB 3.39Å; L653-L656 PolarHBondContact O-N 2.97Å; D654-L656 VanDerWaalsContact C-N 3.33Å; D654-L656 PolarHBondContact O-N 3.34Å; L656-A660 WeakPolarHBondContact O-CB 3.41Å; L656-A660 PolarHBondContact O-N 3.3Å; L656-I676 HydrophobicContact CD1-CD1 3.87Å; L656-L698 HydrophobicContact CB-CD1 3.79Å; L656-L698 HydrophobicContact CB-CD2 4Å; L656-L698 HydrophobicContact CD1-CD2 4.32Å |
| 657 | S | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | 174 | 159.6 | 0 | 0 | 0 | 0 | 110.1 | R351 L653 D654 L655 L659 A660 E661 D701 | R351-S657 PolarHBondContact NH1-OG 2.91Å; L653-S657 PolarHBondContact O-N 3.28Å; D654-S657 WeakPolarHBondContact O-CA 3.44Å; D654-S657 WeakPolarHBondContact O-CB 3.4Å; D654-S657 PolarHBondContact O-N 2.97Å; D654-S657 VanDerWaalsContact O-N 3.12Å; L655-S657 VanDerWaalsContact C-N 3.3Å; S657-L659 VanDerWaalsContact C-N 3.32Å; S657-L659 PolarHBondContact O-N 2.92Å; S657-A660 PolarHBondContact O-N 3.45Å; S657-E661 WeakPolarHBondContact O-CB 3.45Å; S657-E661 PolarHBondContact O-N 3.37Å; S657-D701 PolarHBondContact OG-OD2 2.84Å |
| 658 | G | 96.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T603 D654 L655 E661 G662 | T603-G658 PolarHBondContact OG1-O 3.41Å; D654-G658 PolarHBondContact O-N 2.86Å; L655-G658 PolarHBondContact O-N 2.96Å; G658-E661 PolarHBondContact O-N 2.99Å; G658-G662 PolarHBondContact O-N 2.9Å |
| 659 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 172.1 | -75.3 | 175.2 | 0 | 0 | 0 | 112.6 | A602 F609 C613 V616 Y617 L655 S657 E661 L663 I667 | A602-L659 HydrophobicContact CB-CD2 3.94Å; F609-L659 HydrophobicContact CD1-CD2 3.67Å; F609-L659 HydrophobicContact CE1-CD2 3.63Å; C613-L659 HydrophobicContact CB-CD2 4.25Å; V616-L659 HydrophobicContact CB-CD1 4.44Å; V616-L659 HydrophobicContact CG1-CD1 3.94Å; Y617-L659 HydrophobicContact CD2-CD1 4.42Å; L655-L659 HydrophobicContact CD1-CG 4.46Å; L655-L659 WeakPolarHBondContact O-CB 3.22Å; L655-L659 WeakPolarHBondContact O-CG 3.36Å; L655-L659 PolarHBondContact O-N 2.96Å; S657-L659 VanDerWaalsContact C-N 3.32Å; S657-L659 PolarHBondContact O-N 2.92Å; L659-E661 VanDerWaalsContact C-N 3.34Å; L659-L663 HydrophobicContact CB-CD1 4.49Å; L659-L663 HydrophobicContact CD2-CD1 4.16Å; L659-L663 WeakPolarHBondContact O-CB 3.2Å; L659-L663 VanDerWaalsContact O-CG 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 3.06Å; L659-I667 HydrophobicContact CB-CD1 3.98Å |
| 660 | A | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L656 S657 G664 I667 D701 L702 | L656-A660 WeakPolarHBondContact O-CB 3.41Å; L656-A660 PolarHBondContact O-N 3.3Å; S657-A660 PolarHBondContact O-N 3.45Å; A660-G664 VanDerWaalsContact O-CA 3.29Å; A660-G664 WeakPolarHBondContact O-CA 3.47Å; A660-G664 PolarHBondContact O-N 2.96Å; A660-G664 VanDerWaalsContact O-N 3.08Å; A660-I667 HydrophobicContact CB-CD1 3.95Å; A660-D701 HydrophobicContact CB-CB 3.74Å; A660-L702 HydrophobicContact CB-CD2 3.99Å; A660-L702 HydrophobicContact CB-CG 4.48Å |
| 661 | E | 95.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 23 Ų | 23 | 36% | 0.355 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.3 | -54.2 | 174.7 | -172.8 | 175.3 | -179.6 | 0 | 0 | 111.8 | R351 T603 S657 G658 L659 | R351-E661 IonicContact CZ-OE2 2.89Å; R351-E661 VanDerWaalsContact CZ-OE2 3.24Å; R351-E661 IonicContact NH1-OE2 2.64Å; R351-E661 PolarHBondContact NH1-OE2 3.14Å; R351-E661 IonicContact NH2-OE1 3.8Å; R351-E661 IonicContact NH2-OE2 3.78Å; R351-E661 PolarHBondContact NH2-OE2 2.81Å; T603-E661 HydrophobicContact CG2-CG 4.06Å; S657-E661 WeakPolarHBondContact O-CB 3.45Å; S657-E661 PolarHBondContact O-N 3.37Å; G658-E661 PolarHBondContact O-N 2.99Å; L659-E661 VanDerWaalsContact C-N 3.34Å |
| 662 | G | 94.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -45.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q606 G658 | Q606-G662 CarbonylContact C-O 3.59Å; Q606-G662 WeakPolarHBondContact CA-O 3.3Å; Q606-G662 WeakPolarHBondContact CB-O 3.44Å; G658-G662 PolarHBondContact O-N 2.9Å |
| 663 | L | 97.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.2 | -22.6 | -177.8 | -59.2 | 176.8 | 0 | 0 | 0 | 112.7 | Q606 F609 L610 C613 L659 G665 N666 I667 | Q606-L663 WeakPolarHBondContact O-CD2 3.31Å; F609-L663 HydrophobicContact CB-CD2 4.28Å; L610-L663 HydrophobicContact CD2-CD2 3.84Å; L610-L663 HydrophobicContact CG-CD2 4.06Å; C613-L663 HydrophobicContact CB-CD1 3.56Å; L659-L663 HydrophobicContact CB-CD1 4.49Å; L659-L663 HydrophobicContact CD2-CD1 4.16Å; L659-L663 WeakPolarHBondContact O-CB 3.2Å; L659-L663 VanDerWaalsContact O-CG 3.27Å; L659-L663 WeakPolarHBondContact O-CG 3.25Å; L659-L663 PolarHBondContact O-N 3.06Å; L663-G665 PolarHBondContact O-N 3.29Å; L663-N666 HydrophobicContact CB-CB 4.35Å; L663-N666 WeakPolarHBondContact O-CB 3.46Å; L663-N666 PolarHBondContact O-N 3.24Å; L663-N666 VanDerWaalsContact O-N 3.13Å; L663-N666 PolarHBondContact O-ND2 3.44Å; L663-I667 HydrophobicContact CB-CB 4.3Å; L663-I667 HydrophobicContact CD1-CB 4.46Å; L663-I667 HydrophobicContact CD1-CG1 4.41Å |
| 664 | G | 96 | Very high | 97.2 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | 50.3 | -132.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A660 N666 I667 | A660-G664 VanDerWaalsContact O-CA 3.29Å; A660-G664 WeakPolarHBondContact O-CA 3.47Å; A660-G664 PolarHBondContact O-N 2.96Å; A660-G664 VanDerWaalsContact O-N 3.08Å; G664-N666 PolarHBondContact O-N 3.22Å; G664-I667 VanDerWaalsContact O-CG2 3.26Å; G664-I667 WeakPolarHBondContact O-CG2 3.46Å; G664-I667 PolarHBondContact O-N 2.89Å |
| 665 | G | 96.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -58.2 | -14.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L663 I667 E668 A705 | L663-G665 PolarHBondContact O-N 3.29Å; G665-I667 VanDerWaalsContact C-N 3.25Å; G665-I667 PolarHBondContact O-N 3.16Å; G665-E668 WeakPolarHBondContact O-CB 3.27Å; G665-E668 PolarHBondContact O-N 3.14Å; G665-A705 WeakPolarHBondContact CA-O 3.48Å |
| 666 | N | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -71.8 | -18.3 | 176.2 | -60.7 | -65.6 | 0 | 0 | 0 | 113.3 | L610 L663 G664 E668 | L610-N666 HydrophobicContact CD2-CB 3.74Å; L663-N666 HydrophobicContact CB-CB 4.35Å; L663-N666 WeakPolarHBondContact O-CB 3.46Å; L663-N666 PolarHBondContact O-N 3.24Å; L663-N666 VanDerWaalsContact O-N 3.13Å; L663-N666 PolarHBondContact O-ND2 3.44Å; G664-N666 PolarHBondContact O-N 3.22Å; N666-E668 PolarHBondContact O-N 3.42Å |
| 667 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -71.9 | -15.5 | 176.4 | -155.1 | 172.3 | 0 | 0 | 0 | 112.8 | Y617 L659 A660 L663 G664 G665 Q669 L670 V671 L702 A705 | Y617-I667 HydrophobicContact CD2-CD1 4.05Å; Y617-I667 HydrophobicContact CD2-CG1 4.27Å; Y617-I667 HydrophobicContact CE2-CD1 4.02Å; Y617-I667 HydrophobicContact CE2-CG1 4.23Å; L659-I667 HydrophobicContact CB-CD1 3.98Å; A660-I667 HydrophobicContact CB-CD1 3.95Å; L663-I667 HydrophobicContact CB-CB 4.3Å; L663-I667 HydrophobicContact CD1-CB 4.46Å; L663-I667 HydrophobicContact CD1-CG1 4.41Å; G664-I667 VanDerWaalsContact O-CG2 3.26Å; G664-I667 WeakPolarHBondContact O-CG2 3.46Å; G664-I667 PolarHBondContact O-N 2.89Å; G665-I667 VanDerWaalsContact C-N 3.25Å; G665-I667 PolarHBondContact O-N 3.16Å; I667-Q669 VanDerWaalsContact C-N 3.28Å; I667-Q669 PolarHBondContact O-N 3.48Å; I667-Q669 VanDerWaalsContact O-N 3.13Å; I667-L670 HydrophobicContact CG1-CB 4.47Å; I667-L670 HydrophobicContact CG1-CD1 4.28Å; I667-L670 WeakPolarHBondContact O-CB 3.21Å; I667-L670 PolarHBondContact O-N 3.34Å; I667-V671 HydrophobicContact CG1-CG2 4.28Å; I667-V671 HydrophobicContact CG2-CG2 4.23Å; I667-V671 PolarHBondContact O-N 3.14Å; I667-V671 VanDerWaalsContact O-N 3.15Å; I667-L702 HydrophobicContact CG2-CD2 4.49Å; I667-A705 HydrophobicContact CG2-CB 3.94Å |
| 668 | E | 97.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -49 | -44.8 | -173.3 | -174.6 | -77.5 | 152.6 | 0 | 0 | 113.6 | G665 N666 L670 V671 A672 C706 H709 | G665-E668 WeakPolarHBondContact O-CB 3.27Å; G665-E668 PolarHBondContact O-N 3.14Å; N666-E668 PolarHBondContact O-N 3.42Å; E668-L670 VanDerWaalsContact C-N 3.28Å; E668-L670 PolarHBondContact O-N 3.35Å; E668-V671 PolarHBondContact O-N 3.21Å; E668-A672 WeakPolarHBondContact O-CB 3.48Å; E668-A672 PolarHBondContact O-N 2.9Å; E668-C706 HydrophobicContact CB-CB 4.08Å; E668-C706 HydrophobicContact CG-CB 4.07Å; E668-H709 IonicContact OE1-CD2 3.65Å; E668-H709 IonicContact OE1-CE1 2.67Å; E668-H709 PolarHBondContact OE1-CE1 3.21Å; E668-H709 IonicContact OE1-NE2 3.93Å; E668-H709 PolarHBondContact OE1-NE2 3.1Å |
| 669 | Q | 96.9 | Very high | 97.3 | Very high | 121 Ų | 121 | 45.7 Ų | 45.7 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.9 | -30 | -177 | -65.3 | -172.1 | 12.9 | 0 | 0 | 112.8 | I667 R673 | I667-Q669 VanDerWaalsContact C-N 3.28Å; I667-Q669 PolarHBondContact O-N 3.48Å; I667-Q669 VanDerWaalsContact O-N 3.13Å; Q669-R673 WeakPolarHBondContact O-CG 3.29Å |
| 670 | L | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.3 | -44.7 | 176.8 | -61.4 | 173.8 | 0 | 0 | 0 | 109.9 | C613 E614 Y617 I667 E668 R673 S674 | C613-L670 HydrophobicContact CB-CD1 4.47Å; E614-L670 HydrophobicContact CB-CD2 4.16Å; E614-L670 HydrophobicContact CG-CD2 3.99Å; Y617-L670 HydrophobicContact CD1-CB 3.94Å; Y617-L670 HydrophobicContact CD2-CB 4.2Å; Y617-L670 HydrophobicContact CD2-CD1 4.26Å; Y617-L670 HydrophobicContact CE1-CB 3.99Å; Y617-L670 HydrophobicContact CE2-CB 4.23Å; Y617-L670 HydrophobicContact CG-CB 4.07Å; Y617-L670 HydrophobicContact CG-CD1 4.04Å; I667-L670 HydrophobicContact CG1-CB 4.47Å; I667-L670 HydrophobicContact CG1-CD1 4.28Å; I667-L670 WeakPolarHBondContact O-CB 3.21Å; I667-L670 PolarHBondContact O-N 3.34Å; E668-L670 VanDerWaalsContact C-N 3.28Å; E668-L670 PolarHBondContact O-N 3.35Å; L670-R673 PolarHBondContact O-N 3.41Å; L670-S674 VanDerWaalsContact O-CB 3.3Å; L670-S674 WeakPolarHBondContact O-CB 3.44Å; L670-S674 PolarHBondContact O-N 2.98Å |
| 671 | V | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | Y617 I667 E668 R673 S674 I676 L702 H709 | Y617-V671 HydrophobicContact CE2-CG2 4.3Å; I667-V671 HydrophobicContact CG1-CG2 4.28Å; I667-V671 HydrophobicContact CG2-CG2 4.23Å; I667-V671 PolarHBondContact O-N 3.14Å; I667-V671 VanDerWaalsContact O-N 3.15Å; E668-V671 PolarHBondContact O-N 3.21Å; V671-R673 PolarHBondContact O-N 3.34Å; V671-R673 VanDerWaalsContact O-N 3.1Å; V671-S674 PolarHBondContact O-N 3.4Å; V671-I676 HydrophobicContact CG1-CG2 4.12Å; V671-L702 HydrophobicContact CG2-CD2 3.75Å; V671-H709 HydrophobicContact CG1-CB 4.19Å |
| 672 | A | 97.4 | Very high | 97.4 | Very high | 54 Ų | 54 | 50 Ų | 50 | 45% | 0.446 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.8 | -24.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E668 | E668-A672 WeakPolarHBondContact O-CB 3.48Å; E668-A672 PolarHBondContact O-N 2.9Å |
| 673 | R | 96.8 | Very high | 97.6 | Very high | 193 Ų | 193 | 49.6 Ų | 49.6 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 6.6 | -179.8 | -62.3 | 176.8 | -171 | 170.9 | 8.2 | 113 | Q669 L670 V671 | Q669-R673 WeakPolarHBondContact O-CG 3.29Å; L670-R673 PolarHBondContact O-N 3.41Å; V671-R673 PolarHBondContact O-N 3.34Å; V671-R673 VanDerWaalsContact O-N 3.1Å |
| 674 | S | 97.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -117.6 | 162.8 | -172.4 | 179.9 | 0 | 0 | 0 | 0 | 112 | Y617 L670 V671 I676 | Y617-S674 WeakPolarHBondContact OH-CB 3.37Å; Y617-S674 PolarHBondContact OH-OG 3.26Å; L670-S674 VanDerWaalsContact O-CB 3.3Å; L670-S674 WeakPolarHBondContact O-CB 3.44Å; L670-S674 PolarHBondContact O-N 2.98Å; V671-S674 PolarHBondContact O-N 3.4Å; S674-I676 PolarHBondContact OG-N 3.34Å |
| 675 | N | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | trans | -99.2 | 15.9 | 172.4 | 62.8 | -27.9 | 0 | 0 | 0 | 112.9 | Q625 L677 T678 L679 | Q625-N675 PolarHBondContact OE1-ND2 3.36Å; N675-L677 VanDerWaalsContact C-N 3.28Å; N675-L677 PolarHBondContact O-N 3.14Å; N675-T678 WeakPolarHBondContact O-CB 3.38Å; N675-T678 PolarHBondContact O-N 3.49Å; N675-L679 PolarHBondContact O-N 3.23Å; N675-L679 VanDerWaalsContact O-N 3.16Å | ||
| 676 | I | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52.9 | -40.8 | -174.4 | -174.5 | 55.7 | 0 | 0 | 0 | 113.4 | Y617 V621 L656 V671 S674 T678 L679 M680 L698 | Y617-I676 WeakPolarHBondContact OH-CG2 3.21Å; V621-I676 HydrophobicContact CG2-CD1 4.47Å; L656-I676 HydrophobicContact CD1-CD1 3.87Å; V671-I676 HydrophobicContact CG1-CG2 4.12Å; S674-I676 PolarHBondContact OG-N 3.34Å; I676-T678 VanDerWaalsContact C-N 3.29Å; I676-T678 PolarHBondContact O-N 3.45Å; I676-L679 PolarHBondContact O-N 3.18Å; I676-L679 VanDerWaalsContact O-N 3.1Å; I676-M680 HydrophobicContact CD1-CG 4.28Å; I676-M680 HydrophobicContact CG1-CG 4.3Å; I676-M680 WeakPolarHBondContact O-CG 3.25Å; I676-M680 PolarHBondContact O-N 3.17Å; I676-L698 HydrophobicContact CD1-CD2 4.03Å; I676-L698 HydrophobicContact CG1-CD2 4.16Å |
| 677 | L | 97.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | 178.2 | -74.4 | 158.5 | 0 | 0 | 0 | 112.8 | N675 M680 Y681 H709 V710 F717 | N675-L677 VanDerWaalsContact C-N 3.28Å; N675-L677 PolarHBondContact O-N 3.14Å; L677-M680 HydrophobicContact CB-CE 4.43Å; L677-M680 HydrophobicContact CD2-CE 3.28Å; L677-M680 HydrophobicContact CG-CE 3.96Å; L677-Y681 PolarHBondContact O-N 3.37Å; L677-H709 HydrophobicContact CD1-CB 3.93Å; L677-H709 WeakPolarHBondContact CD1-O 3.45Å; L677-V710 HydrophobicContact CD2-CG2 4.27Å; L677-F717 HydrophobicContact CD2-CE2 4.11Å; L677-F717 HydrophobicContact CD2-CZ 4.43Å |
| 678 | T | 97.7 | Very high | 97.6 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.8 | -38.8 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | N675 I676 Y681 | N675-T678 WeakPolarHBondContact O-CB 3.38Å; N675-T678 PolarHBondContact O-N 3.49Å; I676-T678 VanDerWaalsContact C-N 3.29Å; I676-T678 PolarHBondContact O-N 3.45Å; T678-Y681 PolarHBondContact O-N 3.49Å |
| 679 | L | 98.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 176 | -59 | 178.1 | 0 | 0 | 0 | 110.7 | V621 V624 Q625 L628 N675 I676 Y681 Q682 C683 | V621-L679 HydrophobicContact CG1-CD1 3.94Å; V624-L679 HydrophobicContact CB-CD1 4.44Å; V624-L679 HydrophobicContact CG1-CB 4.11Å; V624-L679 HydrophobicContact CG1-CD1 4.17Å; Q625-L679 HydrophobicContact CB-CD1 4.07Å; Q625-L679 HydrophobicContact CB-CD2 4.25Å; Q625-L679 HydrophobicContact CG-CD2 4.31Å; L628-L679 HydrophobicContact CD1-CB 4.38Å; L628-L679 HydrophobicContact CD1-CD2 4.14Å; N675-L679 PolarHBondContact O-N 3.23Å; N675-L679 VanDerWaalsContact O-N 3.16Å; I676-L679 PolarHBondContact O-N 3.18Å; I676-L679 VanDerWaalsContact O-N 3.1Å; L679-Y681 VanDerWaalsContact C-N 3.28Å; L679-Y681 PolarHBondContact O-N 3.13Å; L679-Q682 WeakPolarHBondContact O-CA 3.21Å; L679-Q682 WeakPolarHBondContact O-CB 3.25Å; L679-Q682 PolarHBondContact O-N 3.05Å; L679-C683 PolarHBondContact O-N 3.22Å; L679-C683 PolarHBondContact O-SG 2.89Å; L679-C683 VanDerWaalsContact O-SG 3.35Å |
| 680 | M | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57 | -40.1 | 176.1 | -74.5 | -163.8 | -58.4 | 0 | 0 | 112.2 | I676 L677 Q682 C683 M684 L698 L702 | I676-M680 HydrophobicContact CD1-CG 4.28Å; I676-M680 HydrophobicContact CG1-CG 4.3Å; I676-M680 WeakPolarHBondContact O-CG 3.25Å; I676-M680 PolarHBondContact O-N 3.17Å; L677-M680 HydrophobicContact CB-CE 4.43Å; L677-M680 HydrophobicContact CD2-CE 3.28Å; L677-M680 HydrophobicContact CG-CE 3.96Å; M680-Q682 PolarHBondContact O-N 3.4Å; M680-C683 PolarHBondContact O-N 3.23Å; M680-C683 VanDerWaalsContact O-N 3.12Å; M680-M684 WeakPolarHBondContact O-CB 3.32Å; M680-M684 WeakPolarHBondContact O-CG 3.4Å; M680-M684 PolarHBondContact O-N 3.5Å; M680-L698 HydrophobicContact CG-CD2 4.18Å; M680-L698 HydrophobicContact SD-CB 4.34Å; M680-L698 HydrophobicContact SD-CD2 3.76Å; M680-L698 HydrophobicContact SD-CG 3.77Å; M680-L702 HydrophobicContact CE-CD1 3.67Å; M680-L702 HydrophobicContact SD-CD1 3.97Å |
| 681 | Y | 98.1 | Very high | 97.4 | Very high | 90 Ų | 90 | 54.2 Ų | 54.2 | 35% | 0.353 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.1 | -37.6 | 175 | -177.1 | -105.7 | 0 | 0 | 0 | 112.4 | L677 T678 L679 Q685 D716 F717 I720 | L677-Y681 PolarHBondContact O-N 3.37Å; T678-Y681 PolarHBondContact O-N 3.49Å; L679-Y681 VanDerWaalsContact C-N 3.28Å; L679-Y681 PolarHBondContact O-N 3.13Å; Y681-Q685 PolarHBondContact O-NE2 3.14Å; Y681-D716 HydrophobicContact CE2-CB 4.18Å; Y681-F717 HydrophobicContact CD2-CD1 4.21Å; Y681-F717 AromaticContact CD2-CE1 3.91Å; Y681-F717 HydrophobicContact CD2-CE1 3.91Å; Y681-F717 HydrophobicContact CG-CE1 4.47Å; Y681-I720 HydrophobicContact CD2-CD1 3.96Å; Y681-I720 HydrophobicContact CE2-CD1 3.77Å |
| 682 | Q | 98.2 | Very high | 97.4 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74.7 | -45.3 | 175.1 | -61.1 | -65.8 | -50 | 0 | 0 | 111.6 | L628 L679 M680 M684 Q685 D686 | L628-Q682 HydrophobicContact CD1-CB 4.03Å; L628-Q682 HydrophobicContact CD2-CB 4.23Å; L679-Q682 WeakPolarHBondContact O-CA 3.21Å; L679-Q682 WeakPolarHBondContact O-CB 3.25Å; L679-Q682 PolarHBondContact O-N 3.05Å; M680-Q682 PolarHBondContact O-N 3.4Å; Q682-M684 PolarHBondContact O-N 2.92Å; Q682-Q685 CarbonylContact O-C 3.42Å; Q682-Q685 PolarHBondContact O-N 2.69Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; Q682-D686 PolarHBondContact O-N 3.26Å |
| 683 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | -179.3 | -62 | 0 | 0 | 0 | 0 | 112.7 | L653 L679 M680 Q685 D686 V691 | L653-C683 HydrophobicContact CD1-CB 4.3Å; L679-C683 PolarHBondContact O-N 3.22Å; L679-C683 PolarHBondContact O-SG 2.89Å; L679-C683 VanDerWaalsContact O-SG 3.35Å; M680-C683 PolarHBondContact O-N 3.23Å; M680-C683 VanDerWaalsContact O-N 3.12Å; C683-Q685 PolarHBondContact O-N 2.85Å; C683-Q685 VanDerWaalsContact O-N 3.1Å; C683-D686 VanDerWaalsContact O-CB 3.31Å; C683-D686 WeakPolarHBondContact O-CB 3.47Å; C683-D686 PolarHBondContact O-N 3.42Å; C683-V691 HydrophobicContact CB-CG1 4Å |
| 684 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | 178.6 | -66.7 | 167 | 67.3 | 0 | 0 | 113.4 | M680 Q682 R692 S695 F696 L699 F717 I720 L721 | M680-M684 WeakPolarHBondContact O-CB 3.32Å; M680-M684 WeakPolarHBondContact O-CG 3.4Å; M680-M684 PolarHBondContact O-N 3.5Å; Q682-M684 PolarHBondContact O-N 2.92Å; M684-R692 WeakPolarHBondContact O-CD 3.41Å; M684-S695 WeakPolarHBondContact CA-OG 3.38Å; M684-S695 VanDerWaalsContact CG-OG 3.29Å; M684-S695 WeakPolarHBondContact CG-OG 3.46Å; M684-F696 HydrophobicContact CB-CE1 3.78Å; M684-F696 HydrophobicContact CB-CZ 4.34Å; M684-F696 HydrophobicContact CE-CD1 4.04Å; M684-F696 HydrophobicContact CE-CE1 3.61Å; M684-F696 HydrophobicContact CG-CD1 3.95Å; M684-F696 HydrophobicContact CG-CE1 3.61Å; M684-F696 HydrophobicContact SD-CE1 4.4Å; M684-L699 HydrophobicContact CE-CD2 3.84Å; M684-L699 HydrophobicContact SD-CD2 4.25Å; M684-F717 HydrophobicContact CE-CB 3.91Å; M684-F717 HydrophobicContact CE-CD1 4.07Å; M684-F717 HydrophobicContact CE-CD2 4.47Å; M684-F717 HydrophobicContact CE-CG 3.91Å; M684-F717 HydrophobicContact SD-CD1 3.99Å; M684-F717 HydrophobicContact SD-CD2 4.39Å; M684-F717 HydrophobicContact SD-CE1 4.1Å; M684-F717 HydrophobicContact SD-CE2 4.48Å; M684-F717 HydrophobicContact SD-CG 4.15Å; M684-F717 HydrophobicContact SD-CZ 4.33Å; M684-I720 HydrophobicContact CB-CG2 3.92Å; M684-I720 HydrophobicContact CE-CB 4.2Å; M684-I720 HydrophobicContact CE-CG2 4.16Å; M684-I720 WeakPolarHBondContact O-CG2 3.45Å; M684-L721 HydrophobicContact CE-CG 4.32Å |
| 685 | Q | 97.7 | Very high | 97.5 | Very high | 98 Ų | 98 | 42.5 Ų | 42.5 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 5.7 | 178.7 | -67.1 | 175.5 | 91 | 0 | 0 | 112.6 | Y681 Q682 C683 I720 | Y681-Q685 PolarHBondContact O-NE2 3.14Å; Q682-Q685 CarbonylContact O-C 3.42Å; Q682-Q685 PolarHBondContact O-N 2.69Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; C683-Q685 PolarHBondContact O-N 2.85Å; C683-Q685 VanDerWaalsContact O-N 3.1Å; Q685-I720 HydrophobicContact CG-CD1 3.92Å; Q685-I720 HydrophobicContact CG-CG1 4.38Å; Q685-I720 HydrophobicContact CG-CG2 4.42Å |
| 686 | D | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.102 | 19% | 0.189 | C | C | . | . | trans | -64.7 | 147.6 | -179.3 | -161.8 | -68 | 0 | 0 | 0 | 111.1 | K646 Q682 C683 M688 V691 R692 | K646-D686 IonicContact NZ-OD1 3.21Å; K646-D686 PolarHBondContact NZ-OD1 3.02Å; K646-D686 IonicContact NZ-OD2 3.5Å; K646-D686 PolarHBondContact NZ-OD2 3.36Å; Q682-D686 PolarHBondContact O-N 3.26Å; C683-D686 VanDerWaalsContact O-CB 3.31Å; C683-D686 WeakPolarHBondContact O-CB 3.47Å; C683-D686 PolarHBondContact O-N 3.42Å; D686-M688 VanDerWaalsContact C-N 3.26Å; D686-M688 PolarHBondContact O-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.27Å; D686-M688 PolarHBondContact OD1-N 3.38Å; D686-V691 HydrophobicContact CB-CB 3.98Å; D686-V691 HydrophobicContact CB-CG1 3.67Å; D686-R692 VanDerWaalsContact O-CD 3.24Å; D686-R692 WeakPolarHBondContact O-CD 3.16Å; D686-R692 WeakPolarHBondContact O-CG 3.4Å; D686-R692 PolarHBondContact O-NH1 3.07Å | ||
| 687 | K | 95.6 | Very high | 97.5 | Very high | 182 Ų | 182 | 39.4 Ų | 39.4 | 79% | 0.791 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -64.1 | -31.1 | 176.1 | 63.1 | 176.6 | -177.1 | 175 | 0 | 112.8 | P689 R692 | K687-P689 WeakPolarHBondContact O-CD 3.36Å; K687-R692 VanDerWaalsContact C-NH1 3.31Å; K687-R692 PolarHBondContact O-NH1 3.19Å |
| 688 | M | 95.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -79.5 | 119.7 | -177.4 | -176.7 | 171.5 | -92.9 | 0 | 0 | 110.4 | K646 I650 D686 E690 V691 R692 | K646-M688 HydrophobicContact CB-CE 4.32Å; K646-M688 HydrophobicContact CB-SD 3.58Å; K646-M688 VanDerWaalsContact CB-SD 3.58Å; K646-M688 HydrophobicContact CD-CB 4.25Å; K646-M688 HydrophobicContact CD-CE 4.31Å; K646-M688 HydrophobicContact CD-SD 3.72Å; K646-M688 HydrophobicContact CG-SD 4.2Å; I650-M688 HydrophobicContact CD1-SD 4.11Å; D686-M688 VanDerWaalsContact C-N 3.26Å; D686-M688 PolarHBondContact O-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.27Å; D686-M688 PolarHBondContact OD1-N 3.38Å; M688-E690 VanDerWaalsContact C-N 3.34Å; M688-E690 HydrophobicContact CG-CB 4.43Å; M688-E690 WeakPolarHBondContact CG-OE2 3.45Å; M688-E690 PolarHBondContact O-N 3.45Å; M688-V691 HydrophobicContact CB-CB 4.41Å; M688-V691 HydrophobicContact CB-CG2 3.88Å; M688-V691 HydrophobicContact CG-CG2 3.97Å; M688-V691 PolarHBondContact O-N 3.19Å; M688-V691 HydrophobicContact SD-CG2 3.88Å; M688-R692 PolarHBondContact O-N 3.38Å |
| 689 | P | 96.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 19% | 0.188 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.1 | -46.1 | -179.1 | -28.4 | 36.1 | 0 | 0 | 0 | 114.5 | K687 V691 R692 Q693 F729 V732 | K687-P689 WeakPolarHBondContact O-CD 3.36Å; P689-V691 VanDerWaalsContact C-N 3.29Å; P689-V691 PolarHBondContact O-N 2.75Å; P689-R692 CarbonylContact O-C 3.55Å; P689-R692 WeakPolarHBondContact O-CA 3.43Å; P689-R692 WeakPolarHBondContact O-CB 3.4Å; P689-R692 PolarHBondContact O-N 2.96Å; P689-Q693 PolarHBondContact O-N 3.41Å; P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.42Å; P689-F729 HydrophobicContact CG-CD1 3.69Å; P689-F729 HydrophobicContact CG-CE1 3.63Å; P689-F729 HydrophobicContact CG-CZ 4.41Å; P689-V732 HydrophobicContact CB-CG2 3.75Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.46Å |
| 690 | E | 94.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 32.6 Ų | 32.6 | 38% | 0.383 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | -175 | -59.1 | 84.2 | 173 | 0 | 0 | 111.5 | S350 I650 M688 Q693 S694 | S350-E690 PolarHBondContact OG-O 3.15Å; S350-E690 VanDerWaalsContact OG-O 3.1Å; I650-E690 HydrophobicContact CD1-CB 3.62Å; I650-E690 HydrophobicContact CG1-CB 4.42Å; M688-E690 VanDerWaalsContact C-N 3.34Å; M688-E690 HydrophobicContact CG-CB 4.43Å; M688-E690 WeakPolarHBondContact CG-OE2 3.45Å; M688-E690 PolarHBondContact O-N 3.45Å; E690-Q693 WeakPolarHBondContact O-CB 3.26Å; E690-Q693 PolarHBondContact O-N 2.89Å; E690-S694 PolarHBondContact O-N 3.42Å; E690-S694 PolarHBondContact O-OG 2.94Å |
| 691 | V | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | K646 M649 I650 C683 D686 M688 P689 S695 | K646-V691 HydrophobicContact CB-CG2 4.29Å; K646-V691 HydrophobicContact CD-CG2 4.11Å; M649-V691 HydrophobicContact CE-CB 4.11Å; M649-V691 HydrophobicContact CE-CG1 3.42Å; M649-V691 VanDerWaalsContact CE-CG1 3.42Å; M649-V691 HydrophobicContact CE-CG2 3.48Å; M649-V691 VanDerWaalsContact CE-CG2 3.48Å; M649-V691 HydrophobicContact SD-CG1 4.08Å; I650-V691 HydrophobicContact CD1-CG2 4.08Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; C683-V691 HydrophobicContact CB-CG1 4Å; D686-V691 HydrophobicContact CB-CB 3.98Å; D686-V691 HydrophobicContact CB-CG1 3.67Å; M688-V691 HydrophobicContact CB-CB 4.41Å; M688-V691 HydrophobicContact CB-CG2 3.88Å; M688-V691 HydrophobicContact CG-CG2 3.97Å; M688-V691 PolarHBondContact O-N 3.19Å; M688-V691 HydrophobicContact SD-CG2 3.88Å; P689-V691 VanDerWaalsContact C-N 3.29Å; P689-V691 PolarHBondContact O-N 2.75Å; V691-S695 WeakPolarHBondContact O-CB 3.32Å; V691-S695 PolarHBondContact O-N 3.37Å; V691-S695 VanDerWaalsContact O-N 3.1Å; V691-S695 PolarHBondContact O-OG 3.43Å |
| 692 | R | 98.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.4 | -60.1 | -164.5 | -60.8 | -77.2 | -3.2 | 110.2 | M684 D686 K687 M688 P689 S695 F696 N724 V732 | M684-R692 WeakPolarHBondContact O-CD 3.41Å; D686-R692 VanDerWaalsContact O-CD 3.24Å; D686-R692 WeakPolarHBondContact O-CD 3.16Å; D686-R692 WeakPolarHBondContact O-CG 3.4Å; D686-R692 PolarHBondContact O-NH1 3.07Å; K687-R692 VanDerWaalsContact C-NH1 3.31Å; K687-R692 PolarHBondContact O-NH1 3.19Å; M688-R692 PolarHBondContact O-N 3.38Å; P689-R692 CarbonylContact O-C 3.55Å; P689-R692 WeakPolarHBondContact O-CA 3.43Å; P689-R692 WeakPolarHBondContact O-CB 3.4Å; P689-R692 PolarHBondContact O-N 2.96Å; R692-S695 PolarHBondContact O-N 2.95Å; R692-S695 PolarHBondContact O-OG 3.45Å; R692-F696 HydrophobicContact CB-CD2 4.48Å; R692-F696 HydrophobicContact CB-CE2 3.87Å; R692-F696 HydrophobicContact CB-CZ 4.27Å; R692-F696 WeakPolarHBondContact O-CD2 3.29Å; R692-F696 VanDerWaalsContact O-CG 3.29Å; R692-F696 WeakPolarHBondContact O-CG 3.13Å; R692-F696 PolarHBondContact O-N 3.4Å; R692-N724 WeakPolarHBondContact CD-OD1 3.26Å; R692-N724 PolarHBondContact NE-OD1 2.8Å; R692-V732 HydrophobicContact CB-CG1 4.08Å |
| 693 | Q | 97.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.8 | -55.9 | 177.2 | 176.8 | -175.6 | -17.6 | 0 | 0 | 112.4 | S350 R351 T352 P689 E690 S695 F696 A697 S731 V732 N735 | S350-Q693 PolarHBondContact O-NE2 3.21Å; S350-Q693 WeakPolarHBondContact OG-CB 3.46Å; S350-Q693 VanDerWaalsContact OG-CG 3.28Å; S350-Q693 WeakPolarHBondContact OG-CG 3.3Å; R351-Q693 PolarHBondContact O-NE2 3.3Å; T352-Q693 PolarHBondContact OG1-NE2 3.47Å; T352-Q693 VanDerWaalsContact OG1-NE2 3.16Å; P689-Q693 PolarHBondContact O-N 3.41Å; E690-Q693 WeakPolarHBondContact O-CB 3.26Å; E690-Q693 PolarHBondContact O-N 2.89Å; Q693-S695 VanDerWaalsContact C-N 3.32Å; Q693-S695 PolarHBondContact O-N 3.27Å; Q693-F696 PolarHBondContact O-N 2.91Å; Q693-A697 PolarHBondContact O-N 3.43Å; Q693-A697 VanDerWaalsContact O-N 3.14Å; Q693-S731 VanDerWaalsContact OE1-CB 3.3Å; Q693-V732 HydrophobicContact CB-CG2 4.04Å; Q693-N735 VanDerWaalsContact CG-ND2 3.27Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.26Å; Q693-N735 PolarHBondContact O-ND2 2.87Å |
| 694 | S | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 177.7 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | S350 I650 D654 E690 F696 A697 L698 | S350-S694 PolarHBondContact OG-N 2.67Å; S350-S694 PolarHBondContact OG-OG 3.03Å; I650-S694 VanDerWaalsContact CG2-OG 3.24Å; I650-S694 WeakPolarHBondContact CG2-OG 3.46Å; D654-S694 WeakPolarHBondContact OD1-CA 3.43Å; D654-S694 WeakPolarHBondContact OD1-CB 3.3Å; D654-S694 PolarHBondContact OD1-OG 3.19Å; D654-S694 PolarHBondContact OD2-OG 3.31Å; E690-S694 PolarHBondContact O-N 3.42Å; E690-S694 PolarHBondContact O-OG 2.94Å; S694-F696 VanDerWaalsContact C-N 3.32Å; S694-F696 PolarHBondContact O-N 2.86Å; S694-A697 PolarHBondContact O-N 3.17Å; S694-L698 PolarHBondContact O-N 2.69Å |
| 695 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -33.2 | 178.1 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | M684 V691 R692 Q693 L699 | M684-S695 WeakPolarHBondContact CA-OG 3.38Å; M684-S695 VanDerWaalsContact CG-OG 3.29Å; M684-S695 WeakPolarHBondContact CG-OG 3.46Å; V691-S695 WeakPolarHBondContact O-CB 3.32Å; V691-S695 PolarHBondContact O-N 3.37Å; V691-S695 VanDerWaalsContact O-N 3.1Å; V691-S695 PolarHBondContact O-OG 3.43Å; R692-S695 PolarHBondContact O-N 2.95Å; R692-S695 PolarHBondContact O-OG 3.45Å; Q693-S695 VanDerWaalsContact C-N 3.32Å; Q693-S695 PolarHBondContact O-N 3.27Å; S695-L699 WeakPolarHBondContact O-CB 3.37Å; S695-L699 PolarHBondContact O-N 3.23Å |
| 696 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.4 | -36 | 176.2 | -61.8 | -39.1 | 0 | 0 | 0 | 112.3 | M684 R692 Q693 S694 L699 G700 I720 L721 N724 V732 N735 A736 | M684-F696 HydrophobicContact CB-CE1 3.78Å; M684-F696 HydrophobicContact CB-CZ 4.34Å; M684-F696 HydrophobicContact CE-CD1 4.04Å; M684-F696 HydrophobicContact CE-CE1 3.61Å; M684-F696 HydrophobicContact CG-CD1 3.95Å; M684-F696 HydrophobicContact CG-CE1 3.61Å; M684-F696 HydrophobicContact SD-CE1 4.4Å; R692-F696 HydrophobicContact CB-CD2 4.48Å; R692-F696 HydrophobicContact CB-CE2 3.87Å; R692-F696 HydrophobicContact CB-CZ 4.27Å; R692-F696 WeakPolarHBondContact O-CD2 3.29Å; R692-F696 VanDerWaalsContact O-CG 3.29Å; R692-F696 WeakPolarHBondContact O-CG 3.13Å; R692-F696 PolarHBondContact O-N 3.4Å; Q693-F696 PolarHBondContact O-N 2.91Å; S694-F696 VanDerWaalsContact C-N 3.32Å; S694-F696 PolarHBondContact O-N 2.86Å; F696-L699 PolarHBondContact O-N 3.42Å; F696-G700 PolarHBondContact O-N 3.42Å; F696-G700 VanDerWaalsContact O-N 3.1Å; F696-I720 HydrophobicContact CE1-CG2 4.39Å; F696-I720 HydrophobicContact CZ-CG2 4.38Å; F696-L721 HydrophobicContact CD1-CD2 3.52Å; F696-L721 HydrophobicContact CE1-CD2 3.76Å; F696-L721 HydrophobicContact CE1-CG 4.49Å; F696-L721 HydrophobicContact CG-CD2 4.11Å; F696-N724 HydrophobicContact CE2-CB 3.67Å; F696-N724 HydrophobicContact CZ-CB 3.83Å; F696-V732 HydrophobicContact CD2-CG1 4.03Å; F696-V732 HydrophobicContact CE2-CG1 3.63Å; F696-N735 HydrophobicContact CB-CB 3.89Å; F696-A736 HydrophobicContact CD2-CB 3.81Å; F696-A736 HydrophobicContact CE2-CB 4.09Å; F696-A736 HydrophobicContact CG-CB 4.23Å |
| 697 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -52.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V353 Q693 S694 L699 G700 D701 W738 | V353-A697 HydrophobicContact CG2-CB 4.22Å; Q693-A697 PolarHBondContact O-N 3.43Å; Q693-A697 VanDerWaalsContact O-N 3.14Å; S694-A697 PolarHBondContact O-N 3.17Å; A697-L699 VanDerWaalsContact C-N 3.29Å; A697-L699 PolarHBondContact O-N 3.18Å; A697-G700 PolarHBondContact O-N 3Å; A697-G700 VanDerWaalsContact O-N 3.12Å; A697-D701 PolarHBondContact O-N 3.05Å; A697-W738 WeakPolarHBondContact O-CZ3 3.27Å |
| 698 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.1 | -39.8 | 176.7 | 178.8 | 59.9 | 0 | 0 | 0 | 112.8 | L653 L656 I676 M680 S694 G700 D701 L702 | L653-L698 HydrophobicContact CD2-CD2 3.76Å; L656-L698 HydrophobicContact CB-CD1 3.79Å; L656-L698 HydrophobicContact CB-CD2 4Å; L656-L698 HydrophobicContact CD1-CD2 4.32Å; I676-L698 HydrophobicContact CD1-CD2 4.03Å; I676-L698 HydrophobicContact CG1-CD2 4.16Å; M680-L698 HydrophobicContact CG-CD2 4.18Å; M680-L698 HydrophobicContact SD-CB 4.34Å; M680-L698 HydrophobicContact SD-CD2 3.76Å; M680-L698 HydrophobicContact SD-CG 3.77Å; S694-L698 PolarHBondContact O-N 2.69Å; L698-G700 PolarHBondContact O-N 3.17Å; L698-D701 PolarHBondContact O-N 3.45Å; L698-L702 HydrophobicContact CD1-CD1 3.91Å; L698-L702 HydrophobicContact CD1-CD2 4.46Å; L698-L702 HydrophobicContact CD1-CG 3.83Å; L698-L702 HydrophobicContact CG-CD1 3.92Å; L698-L702 HydrophobicContact CG-CG 4.26Å; L698-L702 WeakPolarHBondContact O-CB 3.39Å; L698-L702 WeakPolarHBondContact O-CG 3.24Å; L698-L702 PolarHBondContact O-N 2.78Å |
| 699 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 177 | 175.6 | 60.5 | 0 | 0 | 0 | 111.9 | M684 S695 F696 A697 T703 V710 F717 L721 I743 | M684-L699 HydrophobicContact CE-CD2 3.84Å; M684-L699 HydrophobicContact SD-CD2 4.25Å; S695-L699 WeakPolarHBondContact O-CB 3.37Å; S695-L699 PolarHBondContact O-N 3.23Å; F696-L699 PolarHBondContact O-N 3.42Å; A697-L699 VanDerWaalsContact C-N 3.29Å; A697-L699 PolarHBondContact O-N 3.18Å; L699-T703 VanDerWaalsContact O-CB 3.26Å; L699-T703 WeakPolarHBondContact O-CB 3.31Å; L699-T703 PolarHBondContact O-N 3.05Å; L699-T703 PolarHBondContact O-OG1 2.93Å; L699-V710 HydrophobicContact CD1-CG1 3.68Å; L699-F717 HydrophobicContact CD1-CD2 3.67Å; L699-F717 HydrophobicContact CD1-CE2 3.83Å; L699-F717 HydrophobicContact CD2-CD2 4.08Å; L699-L721 HydrophobicContact CD2-CD1 4Å; L699-L721 HydrophobicContact CD2-CD2 4.34Å; L699-L721 HydrophobicContact CD2-CG 4.45Å; L699-I743 HydrophobicContact CD2-CD1 4.17Å; L699-I743 HydrophobicContact CG-CD1 4.37Å |
| 700 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F696 A697 L698 T703 K704 W738 | F696-G700 PolarHBondContact O-N 3.42Å; F696-G700 VanDerWaalsContact O-N 3.1Å; A697-G700 PolarHBondContact O-N 3Å; A697-G700 VanDerWaalsContact O-N 3.12Å; L698-G700 PolarHBondContact O-N 3.17Å; G700-T703 WeakPolarHBondContact O-CB 3.42Å; G700-T703 PolarHBondContact O-N 2.96Å; G700-K704 PolarHBondContact O-N 2.89Å; G700-W738 VanDerWaalsContact CA-CZ3 3.43Å |
| 701 | D | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.1 | -42.5 | 177.1 | -70.5 | -43.7 | 0 | 0 | 0 | 113 | S657 A660 A697 L698 T703 K704 A705 W738 | S657-D701 PolarHBondContact OG-OD2 2.84Å; A660-D701 HydrophobicContact CB-CB 3.74Å; A697-D701 PolarHBondContact O-N 3.05Å; L698-D701 PolarHBondContact O-N 3.45Å; D701-T703 PolarHBondContact O-N 3.49Å; D701-K704 PolarHBondContact O-N 3.47Å; D701-K704 WeakPolarHBondContact OD1-CE 2.99Å; D701-K704 IonicContact OD1-NZ 2.76Å; D701-K704 PolarHBondContact OD1-NZ 2.92Å; D701-A705 WeakPolarHBondContact O-CB 3.46Å; D701-A705 PolarHBondContact O-N 3.45Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.12Å |
| 702 | L | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -31.3 | 173.4 | -70.7 | 178.9 | 0 | 0 | 0 | 112.2 | A660 I667 V671 M680 L698 A705 C706 V710 | A660-L702 HydrophobicContact CB-CD2 3.99Å; A660-L702 HydrophobicContact CB-CG 4.48Å; I667-L702 HydrophobicContact CG2-CD2 4.49Å; V671-L702 HydrophobicContact CG2-CD2 3.75Å; M680-L702 HydrophobicContact CE-CD1 3.67Å; M680-L702 HydrophobicContact SD-CD1 3.97Å; L698-L702 HydrophobicContact CD1-CD1 3.91Å; L698-L702 HydrophobicContact CD1-CD2 4.46Å; L698-L702 HydrophobicContact CD1-CG 3.83Å; L698-L702 HydrophobicContact CG-CD1 3.92Å; L698-L702 HydrophobicContact CG-CG 4.26Å; L698-L702 WeakPolarHBondContact O-CB 3.39Å; L698-L702 WeakPolarHBondContact O-CG 3.24Å; L698-L702 PolarHBondContact O-N 2.78Å; L702-A705 PolarHBondContact O-N 3.33Å; L702-C706 CarbonylContact O-C 3.49Å; L702-C706 PolarHBondContact O-N 3.43Å; L702-V710 HydrophobicContact CB-CG2 4.08Å |
| 703 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 173.6 | -66 | 0 | 0 | 0 | 0 | 111.2 | L699 G700 D701 F707 E742 I743 Q746 | L699-T703 VanDerWaalsContact O-CB 3.26Å; L699-T703 WeakPolarHBondContact O-CB 3.31Å; L699-T703 PolarHBondContact O-N 3.05Å; L699-T703 PolarHBondContact O-OG1 2.93Å; G700-T703 WeakPolarHBondContact O-CB 3.42Å; G700-T703 PolarHBondContact O-N 2.96Å; D701-T703 PolarHBondContact O-N 3.49Å; T703-F707 HydrophobicContact CG2-CD2 3.88Å; T703-F707 HydrophobicContact CG2-CE2 4.29Å; T703-F707 WeakPolarHBondContact O-CB 3.37Å; T703-E742 HydrophobicContact CG2-CB 4.13Å; T703-I743 HydrophobicContact CG2-CB 4.37Å; T703-I743 HydrophobicContact CG2-CG1 3.81Å; T703-Q746 HydrophobicContact CG2-CB 4.33Å; T703-Q746 HydrophobicContact CG2-CG 3.74Å |
| 704 | K | 96.4 | Very high | 98 | Very high | 77 Ų | 77 | 23.3 Ų | 23.3 | 34% | 0.335 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -66 | -43.8 | 173 | -71.1 | -179.1 | -68 | 173.9 | 0 | 112 | G700 D701 W738 E742 | G700-K704 PolarHBondContact O-N 2.89Å; D701-K704 PolarHBondContact O-N 3.47Å; D701-K704 WeakPolarHBondContact OD1-CE 2.99Å; D701-K704 IonicContact OD1-NZ 2.76Å; D701-K704 PolarHBondContact OD1-NZ 2.92Å; K704-W738 HydrophobicContact CD-CZ2 4.5Å; K704-E742 HydrophobicContact CD-CG 4.37Å; K704-E742 HydrophobicContact CG-CG 4.22Å; K704-E742 VanDerWaalsContact CG-OE2 3.27Å; K704-E742 WeakPolarHBondContact CG-OE2 3.37Å |
| 705 | A | 97.3 | Very high | 98 | Very high | 17 Ų | 17 | 26 Ų | 26 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.1 | -45.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | G665 I667 D701 L702 | G665-A705 WeakPolarHBondContact CA-O 3.48Å; I667-A705 HydrophobicContact CG2-CB 3.94Å; D701-A705 WeakPolarHBondContact O-CB 3.46Å; D701-A705 PolarHBondContact O-N 3.45Å; L702-A705 PolarHBondContact O-N 3.33Å |
| 706 | C | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -151.5 | 54.3 | -169.8 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | E668 L702 Q708 H709 | E668-C706 HydrophobicContact CB-CB 4.08Å; E668-C706 HydrophobicContact CG-CB 4.07Å; L702-C706 CarbonylContact O-C 3.49Å; L702-C706 PolarHBondContact O-N 3.43Å; C706-Q708 PolarHBondContact O-N 3.42Å; C706-Q708 PolarHBondContact O-OE1 3.41Å; C706-H709 PolarHBondContact O-N 2.99Å |
| 707 | F | 98.3 | Very high | 98 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.3 | -27.7 | -176.6 | -172.7 | -119.6 | 0 | 0 | 0 | 115.7 | T703 H709 V710 K711 I714 Q746 M747 | T703-F707 HydrophobicContact CG2-CD2 3.88Å; T703-F707 HydrophobicContact CG2-CE2 4.29Å; T703-F707 WeakPolarHBondContact O-CB 3.37Å; F707-H709 PolarHBondContact O-N 2.73Å; F707-H709 VanDerWaalsContact O-N 3.09Å; F707-V710 HydrophobicContact CD2-CB 4.09Å; F707-V710 HydrophobicContact CE2-CB 4.48Å; F707-V710 PolarHBondContact O-N 3.05Å; F707-K711 HydrophobicContact CD1-CB 4.19Å; F707-K711 HydrophobicContact CE1-CB 3.78Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.04Å; F707-K711 HydrophobicContact CE2-CB 4.31Å; F707-K711 HydrophobicContact CZ-CB 3.82Å; F707-K711 HydrophobicContact CZ-CD 4.43Å; F707-K711 HydrophobicContact CZ-CG 4.14Å; F707-K711 WeakPolarHBondContact O-CB 3.23Å; F707-K711 PolarHBondContact O-N 3.21Å; F707-I714 HydrophobicContact CE2-CD1 4.24Å; F707-I714 HydrophobicContact CE2-CG1 4.21Å; F707-I714 HydrophobicContact CZ-CG1 4.4Å; F707-Q746 HydrophobicContact CB-CB 4.32Å; F707-Q746 HydrophobicContact CB-CG 4.2Å; F707-Q746 HydrophobicContact CD1-CB 3.61Å; F707-Q746 HydrophobicContact CD1-CG 4.4Å; F707-Q746 HydrophobicContact CD2-CB 3.72Å; F707-Q746 HydrophobicContact CD2-CG 4.11Å; F707-Q746 HydrophobicContact CE1-CB 3.71Å; F707-Q746 HydrophobicContact CE2-CB 3.86Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.98Å; F707-Q746 HydrophobicContact CZ-CB 3.86Å; F707-M747 HydrophobicContact CE1-CE 3.71Å; F707-M747 HydrophobicContact CZ-CE 3.58Å; F707-M747 HydrophobicContact CZ-CG 3.79Å; F707-M747 HydrophobicContact CZ-SD 3.89Å |
| 708 | Q | 97.6 | Very high | 98 | Very high | 107 Ų | 107 | 30.6 Ų | 30.6 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -54.9 | -29.1 | 176.7 | 66 | -83.3 | 13.5 | 0 | 0 | 113.5 | C706 | C706-Q708 PolarHBondContact O-N 3.42Å; C706-Q708 PolarHBondContact O-OE1 3.41Å |
| 709 | H | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -87.8 | -28.4 | 177.4 | -60.6 | -51.8 | 0 | 0 | 0 | 112.3 | E668 V671 L677 C706 F707 P712 | E668-H709 IonicContact OE1-CD2 3.65Å; E668-H709 IonicContact OE1-CE1 2.67Å; E668-H709 PolarHBondContact OE1-CE1 3.21Å; E668-H709 IonicContact OE1-NE2 3.93Å; E668-H709 PolarHBondContact OE1-NE2 3.1Å; V671-H709 HydrophobicContact CG1-CB 4.19Å; L677-H709 HydrophobicContact CD1-CB 3.93Å; L677-H709 WeakPolarHBondContact CD1-O 3.45Å; C706-H709 PolarHBondContact O-N 2.99Å; F707-H709 PolarHBondContact O-N 2.73Å; F707-H709 VanDerWaalsContact O-N 3.09Å; H709-P712 WeakPolarHBondContact O-CD 3.46Å |
| 710 | V | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -80.4 | -37.9 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | L677 L699 L702 F707 P712 C713 I714 | L677-V710 HydrophobicContact CD2-CG2 4.27Å; L699-V710 HydrophobicContact CD1-CG1 3.68Å; L702-V710 HydrophobicContact CB-CG2 4.08Å; F707-V710 HydrophobicContact CD2-CB 4.09Å; F707-V710 HydrophobicContact CE2-CB 4.48Å; F707-V710 PolarHBondContact O-N 3.05Å; V710-P712 VanDerWaalsContact C-N 3.32Å; V710-P712 VanDerWaalsContact O-N 3.14Å; V710-C713 WeakPolarHBondContact O-CB 3.33Å; V710-C713 PolarHBondContact O-N 3.27Å; V710-I714 HydrophobicContact CG1-CD1 3.85Å |
| 711 | K | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -47.2 | -43.4 | -176.3 | -178.8 | 166.6 | 179 | 152.5 | 0 | 114.1 | F707 C713 I714 M747 E750 | F707-K711 HydrophobicContact CD1-CB 4.19Å; F707-K711 HydrophobicContact CE1-CB 3.78Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.04Å; F707-K711 HydrophobicContact CE2-CB 4.31Å; F707-K711 HydrophobicContact CZ-CB 3.82Å; F707-K711 HydrophobicContact CZ-CD 4.43Å; F707-K711 HydrophobicContact CZ-CG 4.14Å; F707-K711 WeakPolarHBondContact O-CB 3.23Å; F707-K711 PolarHBondContact O-N 3.21Å; K711-C713 PolarHBondContact O-N 3.02Å; K711-I714 PolarHBondContact O-N 3.34Å; K711-M747 HydrophobicContact CD-CE 3.8Å; K711-M747 HydrophobicContact CG-CE 3.96Å; K711-E750 VanDerWaalsContact CE-OE2 3.31Å; K711-E750 WeakPolarHBondContact CE-OE2 3.37Å; K711-E750 IonicContact NZ-OE1 3.42Å; K711-E750 PolarHBondContact NZ-OE1 3.48Å; K711-E750 IonicContact NZ-OE2 2.87Å; K711-E750 PolarHBondContact NZ-OE2 2.94Å |
| 712 | P | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 33.7 Ų | 33.7 | 62% | 0.623 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -61.5 | -23.6 | 177.5 | -24 | 35.7 | 0 | 0 | 0 | 115.1 | H709 V710 | H709-P712 WeakPolarHBondContact O-CD 3.46Å; V710-P712 VanDerWaalsContact C-N 3.32Å; V710-P712 VanDerWaalsContact O-N 3.14Å |
| 713 | C | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -96 | -9.2 | -175.6 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | V710 K711 A715 D716 F717 | V710-C713 WeakPolarHBondContact O-CB 3.33Å; V710-C713 PolarHBondContact O-N 3.27Å; K711-C713 PolarHBondContact O-N 3.02Å; C713-A715 VanDerWaalsContact C-N 3.26Å; C713-A715 PolarHBondContact O-N 3.4Å; C713-D716 PolarHBondContact O-N 3.22Å; C713-F717 HydrophobicContact CB-CD1 4.31Å; C713-F717 HydrophobicContact CB-CD2 3.84Å; C713-F717 HydrophobicContact CB-CE1 4.01Å; C713-F717 HydrophobicContact CB-CE2 3.52Å; C713-F717 HydrophobicContact CB-CG 4.23Å; C713-F717 HydrophobicContact CB-CZ 3.62Å; C713-F717 WeakPolarHBondContact O-CG 3.35Å; C713-F717 PolarHBondContact O-N 3.4Å |
| 714 | I | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -36.8 | -173.1 | -67.2 | -57.7 | 0 | 0 | 0 | 112.8 | F707 V710 K711 D716 F717 M718 I743 M747 Y754 | F707-I714 HydrophobicContact CE2-CD1 4.24Å; F707-I714 HydrophobicContact CE2-CG1 4.21Å; F707-I714 HydrophobicContact CZ-CG1 4.4Å; V710-I714 HydrophobicContact CG1-CD1 3.85Å; K711-I714 PolarHBondContact O-N 3.34Å; I714-D716 PolarHBondContact O-N 3.14Å; I714-F717 PolarHBondContact O-N 3.41Å; I714-M718 HydrophobicContact CG2-CG 3.7Å; I714-M718 WeakPolarHBondContact O-CB 3.49Å; I714-M718 WeakPolarHBondContact O-CG 3.45Å; I714-M718 PolarHBondContact O-N 3.1Å; I714-I743 HydrophobicContact CD1-CD1 3.93Å; I714-I743 HydrophobicContact CD1-CG1 4.03Å; I714-I743 HydrophobicContact CD1-CG2 3.72Å; I714-I743 HydrophobicContact CG1-CG2 4.46Å; I714-I743 HydrophobicContact CG2-CG2 4.37Å; I714-M747 HydrophobicContact CG1-SD 4.37Å; I714-M747 HydrophobicContact CG2-SD 4.04Å; I714-Y754 HydrophobicContact CG2-CE2 3.96Å |
| 715 | A | 97.6 | Very high | 98 | Very high | 56 Ų | 56 | 36 Ų | 36 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -31.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C713 P719 | C713-A715 VanDerWaalsContact C-N 3.26Å; C713-A715 PolarHBondContact O-N 3.4Å; A715-P719 VanDerWaalsContact O-CD 3.25Å; A715-P719 WeakPolarHBondContact O-CD 3.48Å; A715-P719 WeakPolarHBondContact O-CG 3.44Å |
| 716 | D | 97.8 | Very high | 98 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -88.4 | -34.4 | 177.8 | -60.5 | -41 | 0 | 0 | 0 | 111.7 | Y681 C713 I714 P719 | Y681-D716 HydrophobicContact CE2-CB 4.18Å; C713-D716 PolarHBondContact O-N 3.22Å; I714-D716 PolarHBondContact O-N 3.14Å; D716-P719 WeakPolarHBondContact O-CD 3.21Å |
| 717 | F | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -78.4 | -37.5 | -176 | -70.2 | -3.8 | 0 | 0 | 0 | 113.8 | L677 Y681 M684 L699 C713 I714 I720 L721 | L677-F717 HydrophobicContact CD2-CE2 4.11Å; L677-F717 HydrophobicContact CD2-CZ 4.43Å; Y681-F717 HydrophobicContact CD2-CD1 4.21Å; Y681-F717 AromaticContact CD2-CE1 3.91Å; Y681-F717 HydrophobicContact CD2-CE1 3.91Å; Y681-F717 HydrophobicContact CG-CE1 4.47Å; M684-F717 HydrophobicContact CE-CB 3.91Å; M684-F717 HydrophobicContact CE-CD1 4.07Å; M684-F717 HydrophobicContact CE-CD2 4.47Å; M684-F717 HydrophobicContact CE-CG 3.91Å; M684-F717 HydrophobicContact SD-CD1 3.99Å; M684-F717 HydrophobicContact SD-CD2 4.39Å; M684-F717 HydrophobicContact SD-CE1 4.1Å; M684-F717 HydrophobicContact SD-CE2 4.48Å; M684-F717 HydrophobicContact SD-CG 4.15Å; M684-F717 HydrophobicContact SD-CZ 4.33Å; L699-F717 HydrophobicContact CD1-CD2 3.67Å; L699-F717 HydrophobicContact CD1-CE2 3.83Å; L699-F717 HydrophobicContact CD2-CD2 4.08Å; C713-F717 HydrophobicContact CB-CD1 4.31Å; C713-F717 HydrophobicContact CB-CD2 3.84Å; C713-F717 HydrophobicContact CB-CE1 4.01Å; C713-F717 HydrophobicContact CB-CE2 3.52Å; C713-F717 HydrophobicContact CB-CG 4.23Å; C713-F717 HydrophobicContact CB-CZ 3.62Å; C713-F717 WeakPolarHBondContact O-CG 3.35Å; C713-F717 PolarHBondContact O-N 3.4Å; I714-F717 PolarHBondContact O-N 3.41Å; F717-I720 PolarHBondContact O-N 2.65Å; F717-I720 VanDerWaalsContact O-N 3.08Å; F717-L721 PolarHBondContact O-N 3.43Å |
| 718 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | -178.7 | -77.6 | -57.6 | -53.6 | 0 | 0 | 114.2 | I714 I720 L721 G722 I740 I743 M751 Y754 V758 | I714-M718 HydrophobicContact CG2-CG 3.7Å; I714-M718 WeakPolarHBondContact O-CB 3.49Å; I714-M718 WeakPolarHBondContact O-CG 3.45Å; I714-M718 PolarHBondContact O-N 3.1Å; M718-I720 VanDerWaalsContact C-N 3.33Å; M718-I720 PolarHBondContact O-N 3.06Å; M718-L721 PolarHBondContact O-N 3.3Å; M718-L721 HydrophobicContact SD-CD1 3.99Å; M718-G722 PolarHBondContact O-N 3.07Å; M718-I740 HydrophobicContact CE-CG1 4.26Å; M718-I740 HydrophobicContact CE-CG2 4.28Å; M718-I743 HydrophobicContact SD-CD1 4.45Å; M718-I743 HydrophobicContact SD-CG2 4.33Å; M718-M751 HydrophobicContact CE-CE 3.36Å; M718-M751 HydrophobicContact SD-CE 3.81Å; M718-Y754 HydrophobicContact CB-CD1 3.6Å; M718-Y754 HydrophobicContact CB-CE1 4.07Å; M718-Y754 HydrophobicContact CB-CG 4.03Å; M718-Y754 HydrophobicContact CG-CD1 3.87Å; M718-Y754 HydrophobicContact CG-CD2 4.24Å; M718-Y754 HydrophobicContact CG-CE1 4.29Å; M718-Y754 HydrophobicContact CG-CG 3.85Å; M718-V758 HydrophobicContact CE-CG1 3.85Å |
| 719 | P | 98.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 170.9 | -23 | 30.2 | 0 | 0 | 0 | 113.7 | A715 D716 G722 T723 M757 | A715-P719 VanDerWaalsContact O-CD 3.25Å; A715-P719 WeakPolarHBondContact O-CD 3.48Å; A715-P719 WeakPolarHBondContact O-CG 3.44Å; D716-P719 WeakPolarHBondContact O-CD 3.21Å; P719-G722 PolarHBondContact O-N 3.24Å; P719-T723 PolarHBondContact O-N 3.49Å; P719-T723 PolarHBondContact O-OG1 2.67Å; P719-M757 HydrophobicContact CB-CE 3.85Å; P719-M757 HydrophobicContact CG-CE 3.93Å |
| 720 | I | 98.6 | Very high | 97 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -45.3 | -178.9 | -59.8 | 167.5 | 0 | 0 | 0 | 110.5 | Y681 M684 Q685 F696 F717 M718 G722 T723 N724 | Y681-I720 HydrophobicContact CD2-CD1 3.96Å; Y681-I720 HydrophobicContact CE2-CD1 3.77Å; M684-I720 HydrophobicContact CB-CG2 3.92Å; M684-I720 HydrophobicContact CE-CB 4.2Å; M684-I720 HydrophobicContact CE-CG2 4.16Å; M684-I720 WeakPolarHBondContact O-CG2 3.45Å; Q685-I720 HydrophobicContact CG-CD1 3.92Å; Q685-I720 HydrophobicContact CG-CG1 4.38Å; Q685-I720 HydrophobicContact CG-CG2 4.42Å; F696-I720 HydrophobicContact CE1-CG2 4.39Å; F696-I720 HydrophobicContact CZ-CG2 4.38Å; F717-I720 PolarHBondContact O-N 2.65Å; F717-I720 VanDerWaalsContact O-N 3.08Å; M718-I720 VanDerWaalsContact C-N 3.33Å; M718-I720 PolarHBondContact O-N 3.06Å; I720-G722 VanDerWaalsContact C-N 3.32Å; I720-G722 PolarHBondContact O-N 2.95Å; I720-T723 PolarHBondContact O-N 3.5Å; I720-T723 PolarHBondContact O-OG1 3.3Å; I720-N724 PolarHBondContact O-N 2.93Å; I720-N724 VanDerWaalsContact O-N 3.17Å; I720-N724 PolarHBondContact O-ND2 2.73Å |
| 721 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 174 | -72.2 | 165.9 | 0 | 0 | 0 | 111 | M684 F696 L699 F717 M718 T723 N724 L725 A736 A739 I740 I743 | M684-L721 HydrophobicContact CE-CG 4.32Å; F696-L721 HydrophobicContact CD1-CD2 3.52Å; F696-L721 HydrophobicContact CE1-CD2 3.76Å; F696-L721 HydrophobicContact CE1-CG 4.49Å; F696-L721 HydrophobicContact CG-CD2 4.11Å; L699-L721 HydrophobicContact CD2-CD1 4Å; L699-L721 HydrophobicContact CD2-CD2 4.34Å; L699-L721 HydrophobicContact CD2-CG 4.45Å; F717-L721 PolarHBondContact O-N 3.43Å; M718-L721 PolarHBondContact O-N 3.3Å; M718-L721 HydrophobicContact SD-CD1 3.99Å; L721-T723 VanDerWaalsContact C-N 3.29Å; L721-T723 PolarHBondContact O-N 3.29Å; L721-N724 CarbonylContact O-C 3.55Å; L721-N724 PolarHBondContact O-N 2.59Å; L721-L725 PolarHBondContact O-N 3.19Å; L721-A736 HydrophobicContact CD2-CB 3.92Å; L721-A739 HydrophobicContact CD2-CB 4.26Å; L721-I740 HydrophobicContact CB-CD1 4.03Å; L721-I740 HydrophobicContact CB-CG1 3.92Å; L721-I740 HydrophobicContact CD1-CG1 3.95Å; L721-I740 HydrophobicContact CG-CG1 4.37Å; L721-I743 HydrophobicContact CD1-CD1 3.76Å |
| 722 | G | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M718 P719 I720 N724 Q761 | M718-G722 PolarHBondContact O-N 3.07Å; P719-G722 PolarHBondContact O-N 3.24Å; I720-G722 VanDerWaalsContact C-N 3.32Å; I720-G722 PolarHBondContact O-N 2.95Å; G722-N724 VanDerWaalsContact C-N 3.32Å; G722-Q761 PolarHBondContact O-NE2 3.18Å; G722-Q761 PolarHBondContact O-OE1 3.49Å |
| 723 | T | 97.6 | Very high | 96.7 | Very high | 104 Ų | 104 | 37.4 Ų | 37.4 | 64% | 0.638 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -75.3 | -18.9 | 174.4 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | P719 I720 L721 | P719-T723 PolarHBondContact O-N 3.49Å; P719-T723 PolarHBondContact O-OG1 2.67Å; I720-T723 PolarHBondContact O-N 3.5Å; I720-T723 PolarHBondContact O-OG1 3.3Å; L721-T723 VanDerWaalsContact C-N 3.29Å; L721-T723 PolarHBondContact O-N 3.29Å |
| 724 | N | 98.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5.9 | 179.5 | -78.2 | -87.9 | 0 | 0 | 0 | 113.2 | R692 F696 I720 L721 G722 N726 V732 C733 A736 | R692-N724 WeakPolarHBondContact CD-OD1 3.26Å; R692-N724 PolarHBondContact NE-OD1 2.8Å; F696-N724 HydrophobicContact CE2-CB 3.67Å; F696-N724 HydrophobicContact CZ-CB 3.83Å; I720-N724 PolarHBondContact O-N 2.93Å; I720-N724 VanDerWaalsContact O-N 3.17Å; I720-N724 PolarHBondContact O-ND2 2.73Å; L721-N724 CarbonylContact O-C 3.55Å; L721-N724 PolarHBondContact O-N 2.59Å; G722-N724 VanDerWaalsContact C-N 3.32Å; N724-N726 PolarHBondContact O-N 2.89Å; N724-V732 HydrophobicContact CB-CG1 4.21Å; N724-C733 WeakPolarHBondContact O-CA 3.22Å; N724-A736 HydrophobicContact CB-CB 4.25Å |
| 725 | L | 98.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -75.6 | 48.7 | 165.3 | -64 | 179.9 | 0 | 0 | 0 | 111.2 | L721 T737 I740 V758 Q761 L762 I765 | L721-L725 PolarHBondContact O-N 3.19Å; L725-T737 WeakPolarHBondContact CD2-OG1 3.45Å; L725-I740 HydrophobicContact CD1-CD1 4.02Å; L725-I740 HydrophobicContact CD2-CD1 4Å; L725-I740 HydrophobicContact CG-CD1 4.23Å; L725-V758 HydrophobicContact CD1-CB 3.93Å; L725-V758 HydrophobicContact CD1-CG1 4.15Å; L725-Q761 HydrophobicContact CB-CB 4.02Å; L725-Q761 HydrophobicContact CD1-CB 3.99Å; L725-Q761 PolarHBondContact O-OE1 3.12Å; L725-L762 HydrophobicContact CD1-CD2 4.14Å; L725-L762 HydrophobicContact CD1-CG 4.11Å; L725-L762 HydrophobicContact CD2-CD2 4.06Å; L725-I765 HydrophobicContact CB-CD1 4.16Å | ||
| 726 | N | 95.8 | Very high | 96.7 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | trans | -107.7 | 109.9 | 177.7 | 179.3 | 8.7 | 0 | 0 | 0 | 109.6 | N724 E728 F729 | N724-N726 PolarHBondContact O-N 2.89Å; N726-E728 PolarHBondContact ND2-OE2 2.94Å; N726-E728 PolarHBondContact O-N 3.28Å; N726-E728 WeakPolarHBondContact OD1-CB 3.47Å; N726-E728 PolarHBondContact OD1-N 3.45Å; N726-E728 VanDerWaalsContact OD1-N 3.11Å; N726-F729 PolarHBondContact O-N 3.5Å; N726-F729 VanDerWaalsContact O-N 3.16Å | ||
| 727 | P | 92.2 | Very high | 96.7 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 16% | 0.162 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 8.8 | -177.3 | 34.5 | -38.2 | 0 | 0 | 0 | 113.9 | F729 I730 I765 | P727-F729 VanDerWaalsContact C-N 3.31Å; P727-I730 HydrophobicContact CB-CD1 4.43Å; P727-I730 WeakPolarHBondContact O-CD1 3.32Å; P727-I765 HydrophobicContact CG-CG1 4.48Å |
| 728 | E | 92.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 29.1 Ų | 29.1 | 65% | 0.645 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -32.9 | 162.9 | -171.8 | 177.9 | -175.6 | 0 | 0 | 111.5 | N726 | N726-E728 PolarHBondContact ND2-OE2 2.94Å; N726-E728 PolarHBondContact O-N 3.28Å; N726-E728 WeakPolarHBondContact OD1-CB 3.47Å; N726-E728 PolarHBondContact OD1-N 3.45Å; N726-E728 VanDerWaalsContact OD1-N 3.11Å |
| 729 | F | 94 | Very high | 96.7 | Very high | 80 Ų | 80 | 29.1 Ų | 29.1 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -112 | 83.3 | 174.6 | -57.6 | -74.8 | 0 | 0 | 0 | 109.1 | P689 N726 P727 S731 V732 C733 | P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.42Å; P689-F729 HydrophobicContact CG-CD1 3.69Å; P689-F729 HydrophobicContact CG-CE1 3.63Å; P689-F729 HydrophobicContact CG-CZ 4.41Å; N726-F729 PolarHBondContact O-N 3.5Å; N726-F729 VanDerWaalsContact O-N 3.16Å; P727-F729 VanDerWaalsContact C-N 3.31Å; F729-S731 PolarHBondContact O-N 3.23Å; F729-V732 HydrophobicContact CB-CB 3.91Å; F729-V732 HydrophobicContact CB-CG2 3.88Å; F729-V732 PolarHBondContact O-N 2.93Å; F729-C733 WeakPolarHBondContact O-CB 3.16Å; F729-C733 PolarHBondContact O-N 3.26Å |
| 730 | I | 92.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 26.7 Ų | 26.7 | 26% | 0.262 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -52.5 | -54 | -170.4 | -62.2 | -63.3 | 0 | 0 | 0 | 112.3 | P727 V732 C733 N734 P772 L775 | P727-I730 HydrophobicContact CB-CD1 4.43Å; P727-I730 WeakPolarHBondContact O-CD1 3.32Å; I730-V732 PolarHBondContact O-N 3.05Å; I730-C733 WeakPolarHBondContact O-CB 3.48Å; I730-C733 PolarHBondContact O-N 3.44Å; I730-N734 VanDerWaalsContact O-CB 3.3Å; I730-N734 WeakPolarHBondContact O-CB 3.45Å; I730-N734 PolarHBondContact O-N 3.36Å; I730-P772 HydrophobicContact CD1-CG 4.4Å; I730-P772 HydrophobicContact CG1-CG 4.37Å; I730-P772 HydrophobicContact CG2-CB 4.34Å; I730-P772 HydrophobicContact CG2-CG 3.92Å; I730-L775 HydrophobicContact CD1-CD2 3.91Å; I730-L775 HydrophobicContact CG2-CB 4.39Å; I730-L775 HydrophobicContact CG2-CD2 4.18Å |
| 731 | S | 92.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 26 Ų | 26 | 29% | 0.287 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.4 | -35.1 | -174.7 | -44.4 | 0 | 0 | 0 | 0 | 112.8 | Q693 F729 N734 N735 | Q693-S731 VanDerWaalsContact OE1-CB 3.3Å; F729-S731 PolarHBondContact O-N 3.23Å; S731-N734 PolarHBondContact O-N 3.47Å; S731-N735 PolarHBondContact O-N 3.16Å |
| 732 | V | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -49.1 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | P689 R692 Q693 F696 N724 F729 I730 N734 N735 A736 | P689-V732 HydrophobicContact CB-CG2 3.75Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.46Å; R692-V732 HydrophobicContact CB-CG1 4.08Å; Q693-V732 HydrophobicContact CB-CG2 4.04Å; F696-V732 HydrophobicContact CD2-CG1 4.03Å; F696-V732 HydrophobicContact CE2-CG1 3.63Å; N724-V732 HydrophobicContact CB-CG1 4.21Å; F729-V732 HydrophobicContact CB-CB 3.91Å; F729-V732 HydrophobicContact CB-CG2 3.88Å; F729-V732 PolarHBondContact O-N 2.93Å; I730-V732 PolarHBondContact O-N 3.05Å; V732-N734 VanDerWaalsContact C-N 3.27Å; V732-N734 PolarHBondContact O-N 2.92Å; V732-N735 PolarHBondContact O-N 3.42Å; V732-A736 VanDerWaalsContact O-CB 3.3Å; V732-A736 WeakPolarHBondContact O-CB 3.13Å; V732-A736 PolarHBondContact O-N 2.97Å |
| 733 | C | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 179 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | N724 F729 I730 T737 L775 | N724-C733 WeakPolarHBondContact O-CA 3.22Å; F729-C733 WeakPolarHBondContact O-CB 3.16Å; F729-C733 PolarHBondContact O-N 3.26Å; I730-C733 WeakPolarHBondContact O-CB 3.48Å; I730-C733 PolarHBondContact O-N 3.44Å; C733-T737 WeakPolarHBondContact O-CB 3.3Å; C733-T737 PolarHBondContact O-N 2.93Å; C733-T737 PolarHBondContact O-OG1 3.34Å; C733-L775 HydrophobicContact CB-CD1 4.4Å |
| 734 | N | 97.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -55.9 | 177.3 | -179.4 | 73.6 | 0 | 0 | 0 | 111.7 | V353 I730 S731 V732 A736 T737 W738 T774 L775 N778 | V353-N734 PolarHBondContact O-ND2 3.22Å; I730-N734 VanDerWaalsContact O-CB 3.3Å; I730-N734 WeakPolarHBondContact O-CB 3.45Å; I730-N734 PolarHBondContact O-N 3.36Å; S731-N734 PolarHBondContact O-N 3.47Å; V732-N734 VanDerWaalsContact C-N 3.27Å; V732-N734 PolarHBondContact O-N 2.92Å; N734-A736 VanDerWaalsContact C-N 3.34Å; N734-A736 PolarHBondContact O-N 3.11Å; N734-T737 WeakPolarHBondContact O-CB 3.35Å; N734-T737 PolarHBondContact O-N 3.39Å; N734-W738 PolarHBondContact O-N 3.1Å; N734-T774 PolarHBondContact OD1-O 3.38Å; N734-L775 HydrophobicContact CB-CD1 4.05Å; N734-L775 WeakPolarHBondContact OD1-CA 3.12Å; N734-N778 PolarHBondContact ND2-ND2 2.89Å; N734-N778 PolarHBondContact OD1-ND2 3.27Å |
| 735 | N | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.8 | -36.1 | -178.2 | -69.4 | 6.7 | 0 | 0 | 0 | 111.8 | R351 V353 Q693 F696 S731 V732 W738 A739 | R351-N735 PolarHBondContact O-ND2 3.41Å; V353-N735 PolarHBondContact N-OD1 2.92Å; Q693-N735 VanDerWaalsContact CG-ND2 3.27Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.26Å; Q693-N735 PolarHBondContact O-ND2 2.87Å; F696-N735 HydrophobicContact CB-CB 3.89Å; S731-N735 PolarHBondContact O-N 3.16Å; V732-N735 PolarHBondContact O-N 3.42Å; N735-W738 PolarHBondContact O-N 3Å; N735-A739 VanDerWaalsContact O-CB 3.32Å; N735-A739 WeakPolarHBondContact O-CB 3.44Å; N735-A739 PolarHBondContact O-N 3.34Å |
| 736 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F696 L721 N724 V732 N734 A739 I740 | F696-A736 HydrophobicContact CD2-CB 3.81Å; F696-A736 HydrophobicContact CE2-CB 4.09Å; F696-A736 HydrophobicContact CG-CB 4.23Å; L721-A736 HydrophobicContact CD2-CB 3.92Å; N724-A736 HydrophobicContact CB-CB 4.25Å; V732-A736 VanDerWaalsContact O-CB 3.3Å; V732-A736 WeakPolarHBondContact O-CB 3.13Å; V732-A736 PolarHBondContact O-N 2.97Å; N734-A736 VanDerWaalsContact C-N 3.34Å; N734-A736 PolarHBondContact O-N 3.11Å; A736-A739 PolarHBondContact O-N 3.47Å; A736-I740 WeakPolarHBondContact O-CD1 3.47Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.23Å; A736-I740 PolarHBondContact O-N 3.23Å |
| 737 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | L725 C733 N734 I740 G741 L762 N778 T782 | L725-T737 WeakPolarHBondContact CD2-OG1 3.45Å; C733-T737 WeakPolarHBondContact O-CB 3.3Å; C733-T737 PolarHBondContact O-N 2.93Å; C733-T737 PolarHBondContact O-OG1 3.34Å; N734-T737 WeakPolarHBondContact O-CB 3.35Å; N734-T737 PolarHBondContact O-N 3.39Å; T737-I740 PolarHBondContact O-N 3.45Å; T737-G741 PolarHBondContact O-N 2.91Å; T737-L762 HydrophobicContact CG2-CD2 3.63Å; T737-N778 HydrophobicContact CG2-CB 4.48Å; T737-T782 HydrophobicContact CG2-CG2 4.36Å; T737-T782 WeakPolarHBondContact O-CG2 3.41Å; T737-T782 PolarHBondContact O-OG1 3.49Å |
| 738 | W | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 177.7 | 173.8 | 81.5 | 0 | 0 | 0 | 111.9 | V353 A697 G700 D701 K704 N734 N735 I740 G741 E742 N778 | V353-W738 HydrophobicContact CB-CD2 4.39Å; V353-W738 HydrophobicContact CB-CG 4.45Å; V353-W738 HydrophobicContact CG1-CD2 3.82Å; V353-W738 HydrophobicContact CG1-CE3 4.37Å; V353-W738 HydrophobicContact CG1-CG 3.87Å; V353-W738 HydrophobicContact CG1-CZ2 4.47Å; V353-W738 HydrophobicContact CG2-CD2 4.32Å; V353-W738 HydrophobicContact CG2-CE3 4.02Å; V353-W738 HydrophobicContact CG2-CZ3 4.23Å; A697-W738 WeakPolarHBondContact O-CZ3 3.27Å; G700-W738 VanDerWaalsContact CA-CZ3 3.43Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.12Å; K704-W738 HydrophobicContact CD-CZ2 4.5Å; N734-W738 PolarHBondContact O-N 3.1Å; N735-W738 PolarHBondContact O-N 3Å; W738-I740 VanDerWaalsContact C-N 3.34Å; W738-I740 PolarHBondContact O-N 3.09Å; W738-G741 WeakPolarHBondContact O-CA 3.43Å; W738-G741 PolarHBondContact O-N 2.89Å; W738-E742 HydrophobicContact CD2-CG 4.3Å; W738-E742 HydrophobicContact CH2-CG 4.38Å; W738-E742 HydrophobicContact CZ2-CG 3.83Å; W738-E742 PolarHBondContact O-N 2.86Å; W738-E742 VanDerWaalsContact O-N 3.07Å; W738-N778 HydrophobicContact CB-CB 4.5Å |
| 739 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L721 N735 A736 G741 E742 I743 | L721-A739 HydrophobicContact CD2-CB 4.26Å; N735-A739 VanDerWaalsContact O-CB 3.32Å; N735-A739 WeakPolarHBondContact O-CB 3.44Å; N735-A739 PolarHBondContact O-N 3.34Å; A736-A739 PolarHBondContact O-N 3.47Å; A739-G741 VanDerWaalsContact C-N 3.27Å; A739-G741 PolarHBondContact O-N 3.46Å; A739-E742 PolarHBondContact O-N 2.7Å; A739-I743 WeakPolarHBondContact O-CB 3.34Å; A739-I743 WeakPolarHBondContact O-CD1 3.29Å; A739-I743 VanDerWaalsContact O-CG1 3.23Å; A739-I743 WeakPolarHBondContact O-CG1 3.36Å; A739-I743 PolarHBondContact O-N 3.39Å |
| 740 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 173.2 | -67.4 | 160.7 | 0 | 0 | 0 | 110.7 | M718 L721 L725 A736 T737 W738 I743 S744 M751 V758 T782 | M718-I740 HydrophobicContact CE-CG1 4.26Å; M718-I740 HydrophobicContact CE-CG2 4.28Å; L721-I740 HydrophobicContact CB-CD1 4.03Å; L721-I740 HydrophobicContact CB-CG1 3.92Å; L721-I740 HydrophobicContact CD1-CG1 3.95Å; L721-I740 HydrophobicContact CG-CG1 4.37Å; L725-I740 HydrophobicContact CD1-CD1 4.02Å; L725-I740 HydrophobicContact CD2-CD1 4Å; L725-I740 HydrophobicContact CG-CD1 4.23Å; A736-I740 WeakPolarHBondContact O-CD1 3.47Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.23Å; A736-I740 PolarHBondContact O-N 3.23Å; T737-I740 PolarHBondContact O-N 3.45Å; W738-I740 VanDerWaalsContact C-N 3.34Å; W738-I740 PolarHBondContact O-N 3.09Å; I740-I743 PolarHBondContact O-N 2.94Å; I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 3.2Å; I740-S744 PolarHBondContact O-OG 3.07Å; I740-M751 HydrophobicContact CG2-CE 4Å; I740-V758 HydrophobicContact CD1-CB 4.38Å; I740-V758 HydrophobicContact CD1-CG1 3.91Å; I740-V758 HydrophobicContact CG2-CG2 4.39Å; I740-T782 HydrophobicContact CB-CG2 4.13Å; I740-T782 HydrophobicContact CG2-CG2 3.88Å |
| 741 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T737 W738 A739 S744 I745 T782 R785 | T737-G741 PolarHBondContact O-N 2.91Å; W738-G741 WeakPolarHBondContact O-CA 3.43Å; W738-G741 PolarHBondContact O-N 2.89Å; A739-G741 VanDerWaalsContact C-N 3.27Å; A739-G741 PolarHBondContact O-N 3.46Å; G741-S744 WeakPolarHBondContact O-CB 3.28Å; G741-S744 PolarHBondContact O-N 3.06Å; G741-I745 PolarHBondContact O-N 2.87Å; G741-T782 WeakPolarHBondContact CA-OG1 3.4Å; G741-R785 WeakPolarHBondContact O-CD 3.46Å |
| 742 | E | 98.1 | Very high | 98 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.5 | -66.8 | -57.7 | 151.6 | 0 | 0 | 112.2 | T703 K704 W738 A739 S744 I745 Q746 R785 | T703-E742 HydrophobicContact CG2-CB 4.13Å; K704-E742 HydrophobicContact CD-CG 4.37Å; K704-E742 HydrophobicContact CG-CG 4.22Å; K704-E742 VanDerWaalsContact CG-OE2 3.27Å; K704-E742 WeakPolarHBondContact CG-OE2 3.37Å; W738-E742 HydrophobicContact CD2-CG 4.3Å; W738-E742 HydrophobicContact CH2-CG 4.38Å; W738-E742 HydrophobicContact CZ2-CG 3.83Å; W738-E742 PolarHBondContact O-N 2.86Å; W738-E742 VanDerWaalsContact O-N 3.07Å; A739-E742 PolarHBondContact O-N 2.7Å; E742-S744 VanDerWaalsContact C-N 3.27Å; E742-S744 PolarHBondContact O-N 2.75Å; E742-I745 PolarHBondContact O-N 3.06Å; E742-Q746 PolarHBondContact O-N 3.35Å; E742-R785 IonicContact OE1-CZ 3.59Å; E742-R785 IonicContact OE1-NH1 3.76Å; E742-R785 PolarHBondContact OE1-NH1 3.45Å; E742-R785 IonicContact OE1-NH2 3.67Å; E742-R785 PolarHBondContact OE1-NH2 3.36Å; E742-R785 IonicContact OE2-NH1 3.66Å; E742-R785 IonicContact OE2-NH2 3.51Å |
| 743 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.6 | -69.5 | 165 | 0 | 0 | 0 | 110.7 | L699 T703 I714 M718 L721 A739 I740 I745 Q746 M747 M751 | L699-I743 HydrophobicContact CD2-CD1 4.17Å; L699-I743 HydrophobicContact CG-CD1 4.37Å; T703-I743 HydrophobicContact CG2-CB 4.37Å; T703-I743 HydrophobicContact CG2-CG1 3.81Å; I714-I743 HydrophobicContact CD1-CD1 3.93Å; I714-I743 HydrophobicContact CD1-CG1 4.03Å; I714-I743 HydrophobicContact CD1-CG2 3.72Å; I714-I743 HydrophobicContact CG1-CG2 4.46Å; I714-I743 HydrophobicContact CG2-CG2 4.37Å; M718-I743 HydrophobicContact SD-CD1 4.45Å; M718-I743 HydrophobicContact SD-CG2 4.33Å; L721-I743 HydrophobicContact CD1-CD1 3.76Å; A739-I743 WeakPolarHBondContact O-CB 3.34Å; A739-I743 WeakPolarHBondContact O-CD1 3.29Å; A739-I743 VanDerWaalsContact O-CG1 3.23Å; A739-I743 WeakPolarHBondContact O-CG1 3.36Å; A739-I743 PolarHBondContact O-N 3.39Å; I740-I743 PolarHBondContact O-N 2.94Å; I743-I745 VanDerWaalsContact C-N 3.33Å; I743-I745 PolarHBondContact O-N 3.08Å; I743-Q746 PolarHBondContact O-N 2.91Å; I743-M747 HydrophobicContact CG2-CG 3.9Å; I743-M747 WeakPolarHBondContact O-CB 3.21Å; I743-M747 VanDerWaalsContact O-CG 3.29Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 2.8Å; I743-M751 HydrophobicContact CG2-SD 4.38Å |
| 744 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -45.4 | -178.8 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | I740 G741 E742 Q746 M747 G748 L786 V789 | I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 3.2Å; I740-S744 PolarHBondContact O-OG 3.07Å; G741-S744 WeakPolarHBondContact O-CB 3.28Å; G741-S744 PolarHBondContact O-N 3.06Å; E742-S744 VanDerWaalsContact C-N 3.27Å; E742-S744 PolarHBondContact O-N 2.75Å; S744-Q746 VanDerWaalsContact C-N 3.34Å; S744-Q746 PolarHBondContact O-N 2.8Å; S744-M747 PolarHBondContact O-N 3.42Å; S744-G748 PolarHBondContact O-N 3.12Å; S744-L786 WeakPolarHBondContact OG-CD2 3.29Å; S744-V789 WeakPolarHBondContact O-CG1 3.45Å |
| 745 | I | 97.9 | Very high | 98.1 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 30% | 0.297 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 179.7 | -66.6 | -59.3 | 0 | 0 | 0 | 111.5 | G741 E742 I743 R785 Y788 V789 | G741-I745 PolarHBondContact O-N 2.87Å; E742-I745 PolarHBondContact O-N 3.06Å; I743-I745 VanDerWaalsContact C-N 3.33Å; I743-I745 PolarHBondContact O-N 3.08Å; I745-R785 HydrophobicContact CD1-CB 3.96Å; I745-R785 HydrophobicContact CD1-CG 3.87Å; I745-R785 HydrophobicContact CG1-CB 4.16Å; I745-R785 HydrophobicContact CG1-CG 3.96Å; I745-Y788 HydrophobicContact CD1-CD1 3.96Å; I745-V789 HydrophobicContact CD1-CG1 4.4Å |
| 746 | Q | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.5 | -31.9 | 178.8 | -62.4 | -62.5 | -24 | 0 | 0 | 113.3 | T703 F707 E742 I743 S744 | T703-Q746 HydrophobicContact CG2-CB 4.33Å; T703-Q746 HydrophobicContact CG2-CG 3.74Å; F707-Q746 HydrophobicContact CB-CB 4.32Å; F707-Q746 HydrophobicContact CB-CG 4.2Å; F707-Q746 HydrophobicContact CD1-CB 3.61Å; F707-Q746 HydrophobicContact CD1-CG 4.4Å; F707-Q746 HydrophobicContact CD2-CB 3.72Å; F707-Q746 HydrophobicContact CD2-CG 4.11Å; F707-Q746 HydrophobicContact CE1-CB 3.71Å; F707-Q746 HydrophobicContact CE2-CB 3.86Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.98Å; F707-Q746 HydrophobicContact CZ-CB 3.86Å; E742-Q746 PolarHBondContact O-N 3.35Å; I743-Q746 PolarHBondContact O-N 2.91Å; S744-Q746 VanDerWaalsContact C-N 3.34Å; S744-Q746 PolarHBondContact O-N 2.8Å |
| 747 | M | 97.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.7 | -32.3 | 179.1 | -71.9 | -87.9 | 61.1 | 0 | 0 | 113.5 | F707 K711 I714 I743 S744 I749 E750 M751 | F707-M747 HydrophobicContact CE1-CE 3.71Å; F707-M747 HydrophobicContact CZ-CE 3.58Å; F707-M747 HydrophobicContact CZ-CG 3.79Å; F707-M747 HydrophobicContact CZ-SD 3.89Å; K711-M747 HydrophobicContact CD-CE 3.8Å; K711-M747 HydrophobicContact CG-CE 3.96Å; I714-M747 HydrophobicContact CG1-SD 4.37Å; I714-M747 HydrophobicContact CG2-SD 4.04Å; I743-M747 HydrophobicContact CG2-CG 3.9Å; I743-M747 WeakPolarHBondContact O-CB 3.21Å; I743-M747 VanDerWaalsContact O-CG 3.29Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 2.8Å; S744-M747 PolarHBondContact O-N 3.42Å; M747-I749 PolarHBondContact O-N 3.3Å; M747-E750 HydrophobicContact CB-CB 4.49Å; M747-E750 HydrophobicContact CE-CB 4.06Å; M747-E750 WeakPolarHBondContact O-CB 3.23Å; M747-E750 PolarHBondContact O-N 3.05Å; M747-E750 HydrophobicContact SD-CB 4.41Å; M747-M751 HydrophobicContact CB-CB 4.04Å |
| 748 | G | 97.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 58 | -132.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S744 E750 M751 | S744-G748 PolarHBondContact O-N 3.12Å; G748-E750 PolarHBondContact O-N 3.06Å; G748-M751 VanDerWaalsContact O-CB 3.25Å; G748-M751 WeakPolarHBondContact O-CB 3.16Å; G748-M751 PolarHBondContact O-N 2.96Å; G748-M751 VanDerWaalsContact O-N 3.12Å |
| 749 | I | 96.8 | Very high | 97.8 | Very high | 125 Ų | 125 | 39.7 Ų | 39.7 | 64% | 0.641 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -66.1 | -20 | -177.5 | -160.7 | 164.3 | 0 | 0 | 0 | 113.7 | M747 M751 Q752 | M747-I749 PolarHBondContact O-N 3.3Å; I749-M751 PolarHBondContact O-N 2.9Å; I749-M751 VanDerWaalsContact O-N 3.09Å; I749-Q752 WeakPolarHBondContact O-CB 3.24Å; I749-Q752 PolarHBondContact O-N 2.71Å |
| 750 | E | 97.9 | Very high | 97.8 | Very high | 106 Ų | 106 | 45.6 Ų | 45.6 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -65.5 | -9.4 | 175 | -64.9 | 179.6 | -129.8 | 0 | 0 | 112.5 | K711 M747 G748 Q752 P753 | K711-E750 VanDerWaalsContact CE-OE2 3.31Å; K711-E750 WeakPolarHBondContact CE-OE2 3.37Å; K711-E750 IonicContact NZ-OE1 3.42Å; K711-E750 PolarHBondContact NZ-OE1 3.48Å; K711-E750 IonicContact NZ-OE2 2.87Å; K711-E750 PolarHBondContact NZ-OE2 2.94Å; M747-E750 HydrophobicContact CB-CB 4.49Å; M747-E750 HydrophobicContact CE-CB 4.06Å; M747-E750 WeakPolarHBondContact O-CB 3.23Å; M747-E750 PolarHBondContact O-N 3.05Å; M747-E750 HydrophobicContact SD-CB 4.41Å; G748-E750 PolarHBondContact O-N 3.06Å; E750-Q752 VanDerWaalsContact C-N 3.32Å; E750-P753 WeakPolarHBondContact O-CD 3.48Å |
| 751 | M | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -74.3 | -19.9 | 174.9 | -167.4 | 58.2 | 177.1 | 0 | 0 | 113.6 | M718 I740 I743 M747 G748 I749 P753 Y754 I755 L786 V789 | M718-M751 HydrophobicContact CE-CE 3.36Å; M718-M751 HydrophobicContact SD-CE 3.81Å; I740-M751 HydrophobicContact CG2-CE 4Å; I743-M751 HydrophobicContact CG2-SD 4.38Å; M747-M751 HydrophobicContact CB-CB 4.04Å; G748-M751 VanDerWaalsContact O-CB 3.25Å; G748-M751 WeakPolarHBondContact O-CB 3.16Å; G748-M751 PolarHBondContact O-N 2.96Å; G748-M751 VanDerWaalsContact O-N 3.12Å; I749-M751 PolarHBondContact O-N 2.9Å; I749-M751 VanDerWaalsContact O-N 3.09Å; M751-P753 VanDerWaalsContact O-N 3.14Å; M751-Y754 PolarHBondContact O-N 3.09Å; M751-Y754 HydrophobicContact SD-CD2 3.95Å; M751-I755 HydrophobicContact CG-CG1 4.49Å; M751-L786 HydrophobicContact CE-CD2 3.91Å; M751-L786 HydrophobicContact CG-CD2 4.02Å; M751-V789 HydrophobicContact CB-CG2 4.22Å |
| 752 | Q | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -43.6 | -47.7 | -175.4 | -168.9 | -175.9 | -7.6 | 0 | 0 | 115.5 | I749 E750 Y754 I755 E793 | I749-Q752 WeakPolarHBondContact O-CB 3.24Å; I749-Q752 PolarHBondContact O-N 2.71Å; E750-Q752 VanDerWaalsContact C-N 3.32Å; Q752-Y754 PolarHBondContact O-N 3.21Å; Q752-I755 PolarHBondContact O-N 2.84Å; Q752-E793 HydrophobicContact CG-CG 4.07Å; Q752-E793 PolarHBondContact NE2-OE1 3.27Å |
| 753 | P | 98.2 | Very high | 97.8 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -65.5 | -20 | -177 | 26.2 | -35.6 | 0 | 0 | 0 | 114.3 | E750 M751 | E750-P753 WeakPolarHBondContact O-CD 3.48Å; M751-P753 VanDerWaalsContact O-N 3.14Å |
| 754 | Y | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -95 | -16 | -176 | -51.1 | -72.4 | 0 | 0 | 0 | 113.4 | I714 M718 M751 Q752 P756 M757 | I714-Y754 HydrophobicContact CG2-CE2 3.96Å; M718-Y754 HydrophobicContact CB-CD1 3.6Å; M718-Y754 HydrophobicContact CB-CE1 4.07Å; M718-Y754 HydrophobicContact CB-CG 4.03Å; M718-Y754 HydrophobicContact CG-CD1 3.87Å; M718-Y754 HydrophobicContact CG-CD2 4.24Å; M718-Y754 HydrophobicContact CG-CE1 4.29Å; M718-Y754 HydrophobicContact CG-CG 3.85Å; M751-Y754 PolarHBondContact O-N 3.09Å; M751-Y754 HydrophobicContact SD-CD2 3.95Å; Q752-Y754 PolarHBondContact O-N 3.21Å; Y754-P756 VanDerWaalsContact C-CD 3.49Å; Y754-M757 HydrophobicContact CD1-SD 4.4Å; Y754-M757 WeakPolarHBondContact O-CB 3.48Å; Y754-M757 PolarHBondContact O-N 2.91Å |
| 755 | I | 97.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.9 | -45.6 | -178.1 | -64.4 | 178.4 | 0 | 0 | 0 | 112.9 | M751 Q752 M757 V758 L759 L786 C790 E793 V794 | M751-I755 HydrophobicContact CG-CG1 4.49Å; Q752-I755 PolarHBondContact O-N 2.84Å; I755-M757 PolarHBondContact O-N 3.24Å; I755-M757 VanDerWaalsContact O-N 3.09Å; I755-V758 PolarHBondContact O-N 3.34Å; I755-V758 VanDerWaalsContact O-N 3.14Å; I755-L759 HydrophobicContact CG2-CB 3.89Å; I755-L759 HydrophobicContact CG2-CD2 3.85Å; I755-L759 HydrophobicContact CG2-CG 4.46Å; I755-L759 VanDerWaalsContact O-CB 3.29Å; I755-L759 WeakPolarHBondContact O-CB 3.4Å; I755-L759 PolarHBondContact O-N 3.41Å; I755-L786 HydrophobicContact CG1-CD2 4.27Å; I755-C790 HydrophobicContact CD1-CB 3.11Å; I755-E793 HydrophobicContact CD1-CB 3.98Å; I755-E793 HydrophobicContact CD1-CG 4.17Å; I755-E793 HydrophobicContact CG2-CB 4.04Å; I755-V794 HydrophobicContact CD1-CG2 4.5Å; I755-V794 HydrophobicContact CG2-CG2 4.31Å |
| 756 | P | 96.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.4 | -23.6 | -179.6 | -24.9 | 36 | 0 | 0 | 0 | 114 | Y754 | Y754-P756 VanDerWaalsContact C-CD 3.49Å |
| 757 | M | 96.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 38% | 0.384 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -77.7 | -27.5 | -178.6 | -56.4 | 177.7 | 60.4 | 0 | 0 | 112.6 | P719 Y754 I755 Q761 | P719-M757 HydrophobicContact CB-CE 3.85Å; P719-M757 HydrophobicContact CG-CE 3.93Å; Y754-M757 HydrophobicContact CD1-SD 4.4Å; Y754-M757 WeakPolarHBondContact O-CB 3.48Å; Y754-M757 PolarHBondContact O-N 2.91Å; I755-M757 PolarHBondContact O-N 3.24Å; I755-M757 VanDerWaalsContact O-N 3.09Å; M757-Q761 PolarHBondContact O-NE2 2.96Å |
| 758 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -114.5 | -35.7 | -170.6 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | M718 L725 I740 I755 H760 Q761 L762 L786 | M718-V758 HydrophobicContact CE-CG1 3.85Å; L725-V758 HydrophobicContact CD1-CB 3.93Å; L725-V758 HydrophobicContact CD1-CG1 4.15Å; I740-V758 HydrophobicContact CD1-CB 4.38Å; I740-V758 HydrophobicContact CD1-CG1 3.91Å; I740-V758 HydrophobicContact CG2-CG2 4.39Å; I755-V758 PolarHBondContact O-N 3.34Å; I755-V758 VanDerWaalsContact O-N 3.14Å; V758-H760 PolarHBondContact O-N 3.06Å; V758-Q761 PolarHBondContact O-N 3.37Å; V758-L762 HydrophobicContact CB-CD1 4.35Å; V758-L762 HydrophobicContact CG2-CD1 4.39Å; V758-L762 WeakPolarHBondContact O-CG 3.29Å; V758-L762 PolarHBondContact O-N 2.88Å; V758-L786 HydrophobicContact CG2-CD1 4.08Å |
| 759 | L | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | -167.1 | 178.5 | 61 | 0 | 0 | 0 | 113.4 | I755 Q761 L762 V763 V794 M797 | I755-L759 HydrophobicContact CG2-CB 3.89Å; I755-L759 HydrophobicContact CG2-CD2 3.85Å; I755-L759 HydrophobicContact CG2-CG 4.46Å; I755-L759 VanDerWaalsContact O-CB 3.29Å; I755-L759 WeakPolarHBondContact O-CB 3.4Å; I755-L759 PolarHBondContact O-N 3.41Å; L759-Q761 VanDerWaalsContact C-N 3.33Å; L759-Q761 PolarHBondContact O-N 3.01Å; L759-L762 PolarHBondContact O-N 3.3Å; L759-V763 HydrophobicContact CD1-CG2 4.04Å; L759-V763 HydrophobicContact CG-CG2 4.43Å; L759-V763 VanDerWaalsContact O-CG2 3.25Å; L759-V763 WeakPolarHBondContact O-CG2 3.36Å; L759-V763 PolarHBondContact O-N 3.48Å; L759-V794 HydrophobicContact CD1-CG1 3.86Å; L759-V794 HydrophobicContact CD2-CB 4.4Å; L759-V794 HydrophobicContact CD2-CG1 4.32Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; L759-M797 HydrophobicContact CD2-SD 3.56Å; L759-M797 VanDerWaalsContact CD2-SD 3.56Å; L759-M797 HydrophobicContact CG-SD 3.71Å |
| 760 | H | 97.6 | Very high | 97.1 | Very high | 125 Ų | 125 | 62 Ų | 62 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 179.6 | -176.5 | -73.4 | 0 | 0 | 0 | 111.6 | V758 V763 E764 | V758-H760 PolarHBondContact O-N 3.06Å; H760-V763 PolarHBondContact O-N 3.06Å; H760-E764 IonicContact CE1-OE2 2.79Å; H760-E764 IonicContact ND1-OE2 3.79Å; H760-E764 PolarHBondContact O-N 3.3Å |
| 761 | Q | 98.2 | Very high | 96.8 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | -179.6 | -61.4 | -178.2 | 77.6 | 0 | 0 | 110.9 | G722 L725 M757 V758 L759 V763 E764 I765 | G722-Q761 PolarHBondContact O-NE2 3.18Å; G722-Q761 PolarHBondContact O-OE1 3.49Å; L725-Q761 HydrophobicContact CB-CB 4.02Å; L725-Q761 HydrophobicContact CD1-CB 3.99Å; L725-Q761 PolarHBondContact O-OE1 3.12Å; M757-Q761 PolarHBondContact O-NE2 2.96Å; V758-Q761 PolarHBondContact O-N 3.37Å; L759-Q761 VanDerWaalsContact C-N 3.33Å; L759-Q761 PolarHBondContact O-N 3.01Å; Q761-V763 PolarHBondContact O-N 3.07Å; Q761-E764 WeakPolarHBondContact O-CB 3.35Å; Q761-E764 PolarHBondContact O-N 2.89Å; Q761-E764 VanDerWaalsContact O-N 3.16Å; Q761-I765 WeakPolarHBondContact O-CD1 3.01Å; Q761-I765 VanDerWaalsContact O-CG1 3.26Å; Q761-I765 WeakPolarHBondContact O-CG1 3.44Å; Q761-I765 PolarHBondContact O-N 2.92Å |
| 762 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.6 | -65.9 | 170.8 | 0 | 0 | 0 | 112.3 | L725 T737 V758 L759 E764 I765 I766 T779 T782 I783 L786 | L725-L762 HydrophobicContact CD1-CD2 4.14Å; L725-L762 HydrophobicContact CD1-CG 4.11Å; L725-L762 HydrophobicContact CD2-CD2 4.06Å; T737-L762 HydrophobicContact CG2-CD2 3.63Å; V758-L762 HydrophobicContact CB-CD1 4.35Å; V758-L762 HydrophobicContact CG2-CD1 4.39Å; V758-L762 WeakPolarHBondContact O-CG 3.29Å; V758-L762 PolarHBondContact O-N 2.88Å; L759-L762 PolarHBondContact O-N 3.3Å; L762-E764 VanDerWaalsContact C-N 3.29Å; L762-E764 PolarHBondContact O-N 3.41Å; L762-I765 PolarHBondContact O-N 2.98Å; L762-I766 PolarHBondContact O-N 3.09Å; L762-T779 HydrophobicContact CB-CG2 4.14Å; L762-T779 HydrophobicContact CD2-CG2 4.05Å; L762-T779 VanDerWaalsContact O-CG2 3.26Å; L762-T779 WeakPolarHBondContact O-CG2 3.4Å; L762-T782 HydrophobicContact CD1-CG2 3.85Å; L762-I783 HydrophobicContact CB-CD1 3.98Å; L762-I783 HydrophobicContact CB-CG1 3.82Å; L762-I783 HydrophobicContact CD1-CG1 4.32Å; L762-L786 HydrophobicContact CD1-CD1 3.6Å |
| 763 | V | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68 | -30.8 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | L759 H760 Q761 I766 N767 I783 M797 Q800 F801 | L759-V763 HydrophobicContact CD1-CG2 4.04Å; L759-V763 HydrophobicContact CG-CG2 4.43Å; L759-V763 VanDerWaalsContact O-CG2 3.25Å; L759-V763 WeakPolarHBondContact O-CG2 3.36Å; L759-V763 PolarHBondContact O-N 3.48Å; H760-V763 PolarHBondContact O-N 3.06Å; Q761-V763 PolarHBondContact O-N 3.07Å; V763-I766 WeakPolarHBondContact O-CG2 3.48Å; V763-N767 PolarHBondContact O-ND2 3.03Å; V763-I783 HydrophobicContact CG2-CD1 4.44Å; V763-M797 HydrophobicContact CB-CE 3.86Å; V763-M797 HydrophobicContact CG1-CE 3.88Å; V763-M797 HydrophobicContact CG2-CE 3.59Å; V763-M797 HydrophobicContact CG2-SD 4.25Å; V763-Q800 HydrophobicContact CG1-CB 3.95Å; V763-F801 HydrophobicContact CG2-CD1 4.08Å |
| 764 | E | 98.1 | Very high | 95.7 | Very high | 127 Ų | 127 | 55.4 Ų | 55.4 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.7 | -47.6 | 173 | -172.2 | 174.3 | 166.8 | 0 | 0 | 111.4 | H760 Q761 L762 I766 N767 R768 | H760-E764 IonicContact CE1-OE2 2.79Å; H760-E764 IonicContact ND1-OE2 3.79Å; H760-E764 PolarHBondContact O-N 3.3Å; Q761-E764 WeakPolarHBondContact O-CB 3.35Å; Q761-E764 PolarHBondContact O-N 2.89Å; Q761-E764 VanDerWaalsContact O-N 3.16Å; L762-E764 VanDerWaalsContact C-N 3.29Å; L762-E764 PolarHBondContact O-N 3.41Å; E764-I766 PolarHBondContact O-N 2.96Å; E764-N767 PolarHBondContact O-N 3.07Å; E764-R768 PolarHBondContact O-N 3.23Å; E764-R768 VanDerWaalsContact O-N 3.13Å |
| 765 | I | 98.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 179.5 | -68.7 | 160.2 | 0 | 0 | 0 | 111.1 | L725 P727 Q761 L762 N767 R768 L775 T779 | L725-I765 HydrophobicContact CB-CD1 4.16Å; P727-I765 HydrophobicContact CG-CG1 4.48Å; Q761-I765 WeakPolarHBondContact O-CD1 3.01Å; Q761-I765 VanDerWaalsContact O-CG1 3.26Å; Q761-I765 WeakPolarHBondContact O-CG1 3.44Å; Q761-I765 PolarHBondContact O-N 2.92Å; L762-I765 PolarHBondContact O-N 2.98Å; I765-N767 PolarHBondContact O-N 3.14Å; I765-N767 VanDerWaalsContact O-N 3.12Å; I765-R768 WeakPolarHBondContact O-CB 3.44Å; I765-R768 PolarHBondContact O-N 3.2Å; I765-L775 HydrophobicContact CG2-CD1 4.31Å; I765-L775 HydrophobicContact CG2-CD2 4.14Å; I765-L775 HydrophobicContact CG2-CG 4.03Å; I765-T779 HydrophobicContact CB-CG2 4.33Å; I765-T779 HydrophobicContact CG2-CG2 4.21Å |
| 766 | I | 98.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -18.9 | -177.8 | -158.4 | 171.7 | 0 | 0 | 0 | 113.4 | L762 V763 E764 T779 A780 I783 F801 P804 W805 | L762-I766 PolarHBondContact O-N 3.09Å; V763-I766 WeakPolarHBondContact O-CG2 3.48Å; E764-I766 PolarHBondContact O-N 2.96Å; I766-T779 HydrophobicContact CB-CG2 3.83Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; I766-A780 HydrophobicContact CD1-CB 3.82Å; I766-I783 HydrophobicContact CB-CD1 4.41Å; I766-I783 HydrophobicContact CD1-CD1 4.11Å; I766-I783 HydrophobicContact CG2-CD1 4.14Å; I766-F801 HydrophobicContact CG2-CB 3.83Å; I766-P804 HydrophobicContact CD1-CG 4.47Å; I766-P804 HydrophobicContact CG1-CB 4Å; I766-P804 HydrophobicContact CG1-CG 4.03Å; I766-P804 HydrophobicContact CG2-CG 4.24Å; I766-P804 VanDerWaalsContact O-CB 3.23Å; I766-P804 WeakPolarHBondContact O-CB 3.39Å; I766-W805 HydrophobicContact CD1-CB 3.94Å |
| 767 | N | 97.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.1 | 176.7 | -75.9 | -72.1 | 0 | 0 | 0 | 113.2 | V763 E764 I765 Q800 | V763-N767 PolarHBondContact O-ND2 3.03Å; E764-N767 PolarHBondContact O-N 3.07Å; I765-N767 PolarHBondContact O-N 3.14Å; I765-N767 VanDerWaalsContact O-N 3.12Å; N767-Q800 PolarHBondContact ND2-O 2.78Å; N767-Q800 PolarHBondContact OD1-O 2.84Å |
| 768 | R | 96 | Very high | 95.6 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | trans | -76.4 | 126.9 | -177.1 | -177.8 | 179 | -176.2 | -113.8 | 9.6 | 110.1 | E764 I765 T771 | E764-R768 PolarHBondContact O-N 3.23Å; E764-R768 VanDerWaalsContact O-N 3.13Å; I765-R768 WeakPolarHBondContact O-CB 3.44Å; I765-R768 PolarHBondContact O-N 3.2Å; R768-T771 WeakPolarHBondContact CB-OG1 3.39Å; R768-T771 WeakPolarHBondContact CG-OG1 3.27Å; R768-T771 PolarHBondContact O-OG1 2.94Å | ||
| 769 | P | 92.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 66% | 0.662 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 154.5 | 176.6 | 30.4 | -35.4 | 0 | 0 | 0 | 110.9 | T771 | P769-T771 PolarHBondContact O-N 3.41Š|
| 770 | N | 90.1 | Very high | 95.6 | Very high | 165 Ų | 165 | 45.7 Ų | 45.7 | 88% | 0.882 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 40 | 179 | -50.1 | -16.2 | 0 | 0 | 0 | 112.5 | ||
| 771 | T | 90.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | trans | -97.4 | 130.1 | 173.7 | -56.9 | 0 | 0 | 0 | 0 | 108.1 | R768 P769 L775 L776 | R768-T771 WeakPolarHBondContact CB-OG1 3.39Å; R768-T771 WeakPolarHBondContact CG-OG1 3.27Å; R768-T771 PolarHBondContact O-OG1 2.94Å; P769-T771 PolarHBondContact O-N 3.41Å; T771-L775 HydrophobicContact CG2-CB 4.12Å; T771-L775 HydrophobicContact CG2-CD2 3.68Å; T771-L775 HydrophobicContact CG2-CG 3.92Å; T771-L776 HydrophobicContact CG2-CD2 3.84Å; T771-L776 HydrophobicContact CG2-CG 3.91Å; T771-L776 WeakPolarHBondContact O-CD1 3.46Å | ||
| 772 | P | 90.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 37 Ų | 37 | 25% | 0.253 | 19% | 0.192 | S | C | . | . | trans | -55 | 146.1 | -179.8 | -31.3 | 40.5 | 0 | 0 | 0 | 112.6 | I730 T774 L775 L776 | I730-P772 HydrophobicContact CD1-CG 4.4Å; I730-P772 HydrophobicContact CG1-CG 4.37Å; I730-P772 HydrophobicContact CG2-CB 4.34Å; I730-P772 HydrophobicContact CG2-CG 3.92Å; P772-T774 VanDerWaalsContact C-N 3.31Å; P772-T774 PolarHBondContact O-N 3.42Å; P772-L775 PolarHBondContact O-N 2.71Å; P772-L776 PolarHBondContact O-N 3.43Å | ||
| 773 | K | 90.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 37 Ų | 37 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -46.2 | -172.1 | -176.7 | -173.4 | 179 | -161.6 | 0 | 111.8 | H357 E365 L775 L776 E777 | H357-K773 PolarHBondContact CD2-NZ 3.19Å; H357-K773 WeakPolarHBondContact CE1-CE 3.45Å; H357-K773 PolarHBondContact CE1-NZ 3.16Å; H357-K773 VanDerWaalsContact CG-NZ 3.32Å; H357-K773 PolarHBondContact ND1-NZ 3Å; H357-K773 VanDerWaalsContact NE2-CE 3.28Å; H357-K773 WeakPolarHBondContact NE2-CE 3.47Å; H357-K773 PolarHBondContact NE2-NZ 3.02Å; E365-K773 PolarHBondContact OE1-N 2.93Å; E365-K773 PolarHBondContact OE2-N 2.95Å; E365-K773 VanDerWaalsContact OE2-N 3.12Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.32Å; K773-L776 WeakPolarHBondContact O-CB 3.36Å; K773-L776 PolarHBondContact O-N 3.19Å; K773-L776 VanDerWaalsContact O-N 3.09Å; K773-E777 WeakPolarHBondContact CE-OE1 3.33Å; K773-E777 VanDerWaalsContact CG-OE1 3.3Å; K773-E777 WeakPolarHBondContact CG-OE1 3.41Å; K773-E777 WeakPolarHBondContact O-CG 3.27Å; K773-E777 PolarHBondContact O-N 3.04Å |
| 774 | T | 90.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57 | -42.7 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | A354 N734 P772 E777 N778 | A354-T774 HydrophobicContact CB-CG2 3.71Å; N734-T774 PolarHBondContact OD1-O 3.38Å; P772-T774 VanDerWaalsContact C-N 3.31Å; P772-T774 PolarHBondContact O-N 3.42Å; T774-E777 PolarHBondContact O-N 2.97Å; T774-N778 PolarHBondContact O-N 2.96Å |
| 775 | L | 95.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 177.9 | 175.2 | 57.6 | 0 | 0 | 0 | 111.3 | I730 C733 N734 I765 T771 P772 K773 E777 T779 | I730-L775 HydrophobicContact CD1-CD2 3.91Å; I730-L775 HydrophobicContact CG2-CB 4.39Å; I730-L775 HydrophobicContact CG2-CD2 4.18Å; C733-L775 HydrophobicContact CB-CD1 4.4Å; N734-L775 HydrophobicContact CB-CD1 4.05Å; N734-L775 WeakPolarHBondContact OD1-CA 3.12Å; I765-L775 HydrophobicContact CG2-CD1 4.31Å; I765-L775 HydrophobicContact CG2-CD2 4.14Å; I765-L775 HydrophobicContact CG2-CG 4.03Å; T771-L775 HydrophobicContact CG2-CB 4.12Å; T771-L775 HydrophobicContact CG2-CD2 3.68Å; T771-L775 HydrophobicContact CG2-CG 3.92Å; P772-L775 PolarHBondContact O-N 2.71Å; K773-L775 VanDerWaalsContact C-N 3.33Å; K773-L775 PolarHBondContact O-N 3.32Å; L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.14Å; L775-T779 VanDerWaalsContact O-CB 3.24Å; L775-T779 WeakPolarHBondContact O-CB 3.38Å; L775-T779 PolarHBondContact O-N 3.44Å; L775-T779 PolarHBondContact O-OG1 3.46Å |
| 776 | L | 96.3 | Very high | 95.7 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.6 | -68.3 | 175.6 | 0 | 0 | 0 | 111.8 | T771 P772 K773 T779 A780 | T771-L776 HydrophobicContact CG2-CD2 3.84Å; T771-L776 HydrophobicContact CG2-CG 3.91Å; T771-L776 WeakPolarHBondContact O-CD1 3.46Å; P772-L776 PolarHBondContact O-N 3.43Å; K773-L776 WeakPolarHBondContact O-CB 3.36Å; K773-L776 PolarHBondContact O-N 3.19Å; K773-L776 VanDerWaalsContact O-N 3.09Å; L776-T779 PolarHBondContact O-N 3.46Å; L776-A780 WeakPolarHBondContact O-CB 3.42Å; L776-A780 PolarHBondContact O-N 2.95Å |
| 777 | E | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -50.2 | 179.2 | -71.6 | 171 | 178.3 | 0 | 0 | 112.3 | Q355 H357 K773 T774 L775 T779 A780 I781 L809 I812 | Q355-E777 HydrophobicContact CG-CB 4.26Å; H357-E777 IonicContact CE1-OE1 3.45Å; H357-E777 PolarHBondContact CE1-OE1 3.28Å; H357-E777 IonicContact CE1-OE2 2.76Å; H357-E777 PolarHBondContact CE1-OE2 3.07Å; H357-E777 IonicContact NE2-OE1 3.4Å; H357-E777 PolarHBondContact NE2-OE1 3.17Å; H357-E777 IonicContact NE2-OE2 2.91Å; H357-E777 PolarHBondContact NE2-OE2 3.48Å; K773-E777 WeakPolarHBondContact CE-OE1 3.33Å; K773-E777 VanDerWaalsContact CG-OE1 3.3Å; K773-E777 WeakPolarHBondContact CG-OE1 3.41Å; K773-E777 WeakPolarHBondContact O-CG 3.27Å; K773-E777 PolarHBondContact O-N 3.04Å; T774-E777 PolarHBondContact O-N 2.97Å; L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.14Å; E777-T779 VanDerWaalsContact C-N 3.28Å; E777-T779 PolarHBondContact O-N 3.18Å; E777-A780 PolarHBondContact O-N 3.41Å; E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 2.85Å; E777-L809 HydrophobicContact CB-CD2 4.46Å; E777-I812 HydrophobicContact CB-CG2 4.39Å; E777-I812 VanDerWaalsContact CD-CG2 3.42Å; E777-I812 HydrophobicContact CG-CG2 3.88Å |
| 778 | N | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 175.4 | -79.8 | -39.2 | 0 | 0 | 0 | 111.6 | V353 Q355 N734 T737 W738 T774 I781 T782 | V353-N778 PolarHBondContact O-ND2 3.49Å; Q355-N778 PolarHBondContact NE2-OD1 3.32Å; N734-N778 PolarHBondContact ND2-ND2 2.89Å; N734-N778 PolarHBondContact OD1-ND2 3.27Å; T737-N778 HydrophobicContact CG2-CB 4.48Å; W738-N778 HydrophobicContact CB-CB 4.5Å; T774-N778 PolarHBondContact O-N 2.96Å; N778-I781 PolarHBondContact O-N 3.41Å; N778-T782 WeakPolarHBondContact O-CB 3.5Å; N778-T782 PolarHBondContact O-N 3.08Å; N778-T782 PolarHBondContact O-OG1 3.47Å |
| 779 | T | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | L762 I765 I766 L775 L776 E777 T782 I783 | L762-T779 HydrophobicContact CB-CG2 4.14Å; L762-T779 HydrophobicContact CD2-CG2 4.05Å; L762-T779 VanDerWaalsContact O-CG2 3.26Å; L762-T779 WeakPolarHBondContact O-CG2 3.4Å; I765-T779 HydrophobicContact CB-CG2 4.33Å; I765-T779 HydrophobicContact CG2-CG2 4.21Å; I766-T779 HydrophobicContact CB-CG2 3.83Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; L775-T779 VanDerWaalsContact O-CB 3.24Å; L775-T779 WeakPolarHBondContact O-CB 3.38Å; L775-T779 PolarHBondContact O-N 3.44Å; L775-T779 PolarHBondContact O-OG1 3.46Å; L776-T779 PolarHBondContact O-N 3.46Å; E777-T779 VanDerWaalsContact C-N 3.28Å; E777-T779 PolarHBondContact O-N 3.18Å; T779-T782 PolarHBondContact O-N 2.95Å; T779-I783 HydrophobicContact CG2-CD1 4.01Å; T779-I783 VanDerWaalsContact O-CG1 3.32Å; T779-I783 WeakPolarHBondContact O-CG1 3.27Å; T779-I783 PolarHBondContact O-N 3.43Å |
| 780 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I766 L776 E777 T782 I783 G784 W805 L809 | I766-A780 HydrophobicContact CD1-CB 3.82Å; L776-A780 WeakPolarHBondContact O-CB 3.42Å; L776-A780 PolarHBondContact O-N 2.95Å; E777-A780 PolarHBondContact O-N 3.41Å; A780-T782 PolarHBondContact O-N 3.35Å; A780-I783 PolarHBondContact O-N 2.98Å; A780-G784 PolarHBondContact O-N 3.35Å; A780-W805 HydrophobicContact CB-CG 4.07Å; A780-W805 VanDerWaalsContact O-CD1 3.31Å; A780-W805 PolarHBondContact O-NE1 3.35Å; A780-L809 HydrophobicContact CB-CD1 3.94Å; A780-L809 HydrophobicContact CB-CD2 3.8Å; A780-L809 HydrophobicContact CB-CG 3.65Å |
| 781 | I | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 175.9 | -71.3 | 158.8 | 0 | 0 | 0 | 110.3 | Q355 E777 N778 G784 R785 L809 I812 E817 A821 | Q355-I781 HydrophobicContact CG-CD1 3.91Å; E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 2.85Å; N778-I781 PolarHBondContact O-N 3.41Å; I781-G784 WeakPolarHBondContact O-CA 3.48Å; I781-G784 PolarHBondContact O-N 3.29Å; I781-G784 VanDerWaalsContact O-N 3.15Å; I781-R785 HydrophobicContact CG2-CG 4.35Å; I781-R785 WeakPolarHBondContact O-CG 3.47Å; I781-R785 PolarHBondContact O-N 2.89Å; I781-L809 HydrophobicContact CD1-CD2 4.32Å; I781-L809 HydrophobicContact CG1-CD1 4.37Å; I781-L809 HydrophobicContact CG1-CD2 3.83Å; I781-I812 HydrophobicContact CD1-CD1 4.26Å; I781-E817 HydrophobicContact CD1-CB 4.04Å; I781-E817 HydrophobicContact CG2-CB 4.28Å; I781-A821 HydrophobicContact CB-CB 4.44Å; I781-A821 HydrophobicContact CG1-CB 4.33Å; I781-A821 HydrophobicContact CG2-CB 4.48Å |
| 782 | T | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | -178.2 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | T737 I740 G741 L762 N778 T779 A780 G784 R785 L786 | T737-T782 HydrophobicContact CG2-CG2 4.36Å; T737-T782 WeakPolarHBondContact O-CG2 3.41Å; T737-T782 PolarHBondContact O-OG1 3.49Å; I740-T782 HydrophobicContact CB-CG2 4.13Å; I740-T782 HydrophobicContact CG2-CG2 3.88Å; G741-T782 WeakPolarHBondContact CA-OG1 3.4Å; L762-T782 HydrophobicContact CD1-CG2 3.85Å; N778-T782 WeakPolarHBondContact O-CB 3.5Å; N778-T782 PolarHBondContact O-N 3.08Å; N778-T782 PolarHBondContact O-OG1 3.47Å; T779-T782 PolarHBondContact O-N 2.95Å; A780-T782 PolarHBondContact O-N 3.35Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.39Å; T782-R785 PolarHBondContact O-N 2.97Å; T782-L786 HydrophobicContact CG2-CD1 4.09Å; T782-L786 HydrophobicContact CG2-CG 4.42Å; T782-L786 WeakPolarHBondContact O-CB 3.23Å; T782-L786 WeakPolarHBondContact O-CG 3.31Å; T782-L786 PolarHBondContact O-N 3.46Å |
| 783 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 172.9 | -68.9 | 170.8 | 0 | 0 | 0 | 110.6 | L762 V763 I766 T779 A780 L786 G787 V794 F801 | L762-I783 HydrophobicContact CB-CD1 3.98Å; L762-I783 HydrophobicContact CB-CG1 3.82Å; L762-I783 HydrophobicContact CD1-CG1 4.32Å; V763-I783 HydrophobicContact CG2-CD1 4.44Å; I766-I783 HydrophobicContact CB-CD1 4.41Å; I766-I783 HydrophobicContact CD1-CD1 4.11Å; I766-I783 HydrophobicContact CG2-CD1 4.14Å; T779-I783 HydrophobicContact CG2-CD1 4.01Å; T779-I783 VanDerWaalsContact O-CG1 3.32Å; T779-I783 WeakPolarHBondContact O-CG1 3.27Å; T779-I783 PolarHBondContact O-N 3.43Å; A780-I783 PolarHBondContact O-N 2.98Å; I783-L786 PolarHBondContact O-N 2.96Å; I783-G787 PolarHBondContact O-N 2.71Å; I783-V794 HydrophobicContact CG2-CG1 4.28Å; I783-F801 HydrophobicContact CG2-CD1 4.22Å; I783-F801 HydrophobicContact CG2-CD2 3.88Å; I783-F801 HydrophobicContact CG2-CE1 3.86Å; I783-F801 HydrophobicContact CG2-CE2 3.51Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.5Å; I783-F801 VanDerWaalsContact CG2-CZ 3.5Å |
| 784 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.2 | -52.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A780 I781 T782 L786 G787 Y788 G824 | A780-G784 PolarHBondContact O-N 3.35Å; I781-G784 WeakPolarHBondContact O-CA 3.48Å; I781-G784 PolarHBondContact O-N 3.29Å; I781-G784 VanDerWaalsContact O-N 3.15Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.39Å; G784-L786 PolarHBondContact O-N 2.98Å; G784-G787 CarbonylContact O-C 3.36Å; G784-G787 PolarHBondContact O-N 2.66Å; G784-Y788 PolarHBondContact O-N 2.94Å; G784-G824 VanDerWaalsContact O-CA 3.27Å; G784-G824 WeakPolarHBondContact O-CA 3.24Å |
| 785 | R | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.9 | -69.6 | 177.6 | 163.7 | 177.8 | -14.2 | 113 | G741 E742 I745 I781 T782 G787 Y788 V789 S820 | G741-R785 WeakPolarHBondContact O-CD 3.46Å; E742-R785 IonicContact OE1-CZ 3.59Å; E742-R785 IonicContact OE1-NH1 3.76Å; E742-R785 PolarHBondContact OE1-NH1 3.45Å; E742-R785 IonicContact OE1-NH2 3.67Å; E742-R785 PolarHBondContact OE1-NH2 3.36Å; E742-R785 IonicContact OE2-NH1 3.66Å; E742-R785 IonicContact OE2-NH2 3.51Å; I745-R785 HydrophobicContact CD1-CB 3.96Å; I745-R785 HydrophobicContact CD1-CG 3.87Å; I745-R785 HydrophobicContact CG1-CB 4.16Å; I745-R785 HydrophobicContact CG1-CG 3.96Å; I781-R785 HydrophobicContact CG2-CG 4.35Å; I781-R785 WeakPolarHBondContact O-CG 3.47Å; I781-R785 PolarHBondContact O-N 2.89Å; T782-R785 PolarHBondContact O-N 2.97Å; R785-G787 VanDerWaalsContact C-N 3.33Å; R785-G787 PolarHBondContact O-N 3.45Å; R785-Y788 WeakPolarHBondContact O-CB 3.21Å; R785-Y788 PolarHBondContact O-N 3.08Å; R785-V789 PolarHBondContact O-N 3.4Å; R785-S820 PolarHBondContact NE-OG 3.14Å |
| 786 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 172.9 | -73.3 | 169.9 | 0 | 0 | 0 | 111.4 | S744 M751 I755 V758 L762 T782 I783 G784 Y788 V789 C790 V794 | S744-L786 WeakPolarHBondContact OG-CD2 3.29Å; M751-L786 HydrophobicContact CE-CD2 3.91Å; M751-L786 HydrophobicContact CG-CD2 4.02Å; I755-L786 HydrophobicContact CG1-CD2 4.27Å; V758-L786 HydrophobicContact CG2-CD1 4.08Å; L762-L786 HydrophobicContact CD1-CD1 3.6Å; T782-L786 HydrophobicContact CG2-CD1 4.09Å; T782-L786 HydrophobicContact CG2-CG 4.42Å; T782-L786 WeakPolarHBondContact O-CB 3.23Å; T782-L786 WeakPolarHBondContact O-CG 3.31Å; T782-L786 PolarHBondContact O-N 3.46Å; I783-L786 PolarHBondContact O-N 2.96Å; G784-L786 PolarHBondContact O-N 2.98Å; L786-Y788 VanDerWaalsContact C-N 3.29Å; L786-Y788 PolarHBondContact O-N 3.16Å; L786-V789 WeakPolarHBondContact O-CG2 3.46Å; L786-V789 PolarHBondContact O-N 2.94Å; L786-C790 PolarHBondContact O-N 3.12Å; L786-V794 HydrophobicContact CB-CG2 4.1Å |
| 787 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67 | -27.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I783 G784 R785 P791 | I783-G787 PolarHBondContact O-N 2.71Å; G784-G787 CarbonylContact O-C 3.36Å; G784-G787 PolarHBondContact O-N 2.66Å; R785-G787 VanDerWaalsContact C-N 3.33Å; R785-G787 PolarHBondContact O-N 3.45Å; G787-P791 WeakPolarHBondContact O-CA 3.14Å; G787-P791 VanDerWaalsContact O-CB 3.29Å; G787-P791 WeakPolarHBondContact O-CB 3.32Å |
| 788 | Y | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 23.7 Ų | 23.7 | 38% | 0.384 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 174.2 | -174.6 | -135.2 | 0 | 0 | 0 | 111.7 | I745 G784 R785 L786 R823 G824 | I745-Y788 HydrophobicContact CD1-CD1 3.96Å; G784-Y788 PolarHBondContact O-N 2.94Å; R785-Y788 WeakPolarHBondContact O-CB 3.21Å; R785-Y788 PolarHBondContact O-N 3.08Å; L786-Y788 VanDerWaalsContact C-N 3.29Å; L786-Y788 PolarHBondContact O-N 3.16Å; Y788-R823 HydrophobicContact CD2-CB 3.85Å; Y788-R823 HydrophobicContact CE2-CB 3.77Å; Y788-R823 HydrophobicContact CG-CB 4.37Å; Y788-G824 VanDerWaalsContact CB-CA 3.48Å |
| 789 | V | 98.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -84.6 | -29.1 | -175.2 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | S744 I745 M751 R785 L786 | S744-V789 WeakPolarHBondContact O-CG1 3.45Å; I745-V789 HydrophobicContact CD1-CG1 4.4Å; M751-V789 HydrophobicContact CB-CG2 4.22Å; R785-V789 PolarHBondContact O-N 3.4Å; L786-V789 WeakPolarHBondContact O-CG2 3.46Å; L786-V789 PolarHBondContact O-N 2.94Å |
| 790 | C | 98 | Very high | 98 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | trans | -138.3 | 64.4 | -177.3 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | I755 L786 Q792 E793 V794 | I755-C790 HydrophobicContact CD1-CB 3.11Å; L786-C790 PolarHBondContact O-N 3.12Å; C790-Q792 PolarHBondContact O-N 2.78Å; C790-Q792 VanDerWaalsContact O-N 3.15Å; C790-E793 HydrophobicContact CB-CG 4.43Å; C790-E793 PolarHBondContact O-N 3.24Å; C790-E793 VanDerWaalsContact O-N 3.15Å; C790-V794 PolarHBondContact O-N 2.87Å | ||
| 791 | P | 97.7 | Very high | 98 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -27.8 | -171.9 | 24.6 | -35.6 | 0 | 0 | 0 | 113.7 | G787 E793 A795 T827 V831 | G787-P791 WeakPolarHBondContact O-CA 3.14Å; G787-P791 VanDerWaalsContact O-CB 3.29Å; G787-P791 WeakPolarHBondContact O-CB 3.32Å; P791-E793 VanDerWaalsContact C-N 3.29Å; P791-E793 PolarHBondContact O-N 2.82Å; P791-A795 WeakPolarHBondContact O-CB 3.26Å; P791-A795 PolarHBondContact O-N 2.93Å; P791-T827 HydrophobicContact CB-CG2 3.84Å; P791-T827 HydrophobicContact CG-CG2 3.89Å; P791-V831 HydrophobicContact CB-CG2 4.02Å; P791-V831 HydrophobicContact CG-CG2 4.47Å |
| 792 | Q | 97.6 | Very high | 98 | Very high | 130 Ų | 130 | 33.8 Ų | 33.8 | 61% | 0.607 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -66.9 | -30.6 | 179.9 | -59.9 | -57.8 | -37.4 | 0 | 0 | 112.9 | C790 P796 | C790-Q792 PolarHBondContact O-N 2.78Å; C790-Q792 VanDerWaalsContact O-N 3.15Å; Q792-P796 WeakPolarHBondContact O-CD 3.41Å |
| 793 | E | 97.7 | Very high | 97.9 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -85.2 | -34.7 | -178.4 | -55.7 | -62.3 | 169.8 | 0 | 0 | 111.6 | Q752 I755 C790 P791 | Q752-E793 HydrophobicContact CG-CG 4.07Å; Q752-E793 PolarHBondContact NE2-OE1 3.27Å; I755-E793 HydrophobicContact CD1-CB 3.98Å; I755-E793 HydrophobicContact CD1-CG 4.17Å; I755-E793 HydrophobicContact CG2-CB 4.04Å; C790-E793 HydrophobicContact CB-CG 4.43Å; C790-E793 PolarHBondContact O-N 3.24Å; C790-E793 VanDerWaalsContact O-N 3.15Å; P791-E793 VanDerWaalsContact C-N 3.29Å; P791-E793 PolarHBondContact O-N 2.82Å |
| 794 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -94.5 | -37.9 | -172.8 | -169.6 | 0 | 0 | 0 | 0 | 113.1 | I755 L759 I783 L786 C790 P796 M797 F801 M828 | I755-V794 HydrophobicContact CD1-CG2 4.5Å; I755-V794 HydrophobicContact CG2-CG2 4.31Å; L759-V794 HydrophobicContact CD1-CG1 3.86Å; L759-V794 HydrophobicContact CD2-CB 4.4Å; L759-V794 HydrophobicContact CD2-CG1 4.32Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; I783-V794 HydrophobicContact CG2-CG1 4.28Å; L786-V794 HydrophobicContact CB-CG2 4.1Å; C790-V794 PolarHBondContact O-N 2.87Å; V794-P796 VanDerWaalsContact C-N 3.29Å; V794-P796 VanDerWaalsContact O-N 3.15Å; V794-M797 PolarHBondContact O-N 2.64Å; V794-F801 HydrophobicContact CG1-CE1 4.34Å; V794-F801 HydrophobicContact CG1-CZ 4.35Å; V794-M828 HydrophobicContact CB-SD 3.69Å; V794-M828 HydrophobicContact CG1-CE 4.34Å; V794-M828 HydrophobicContact CG1-SD 3.4Å; V794-M828 WeakPolarHBondContact CG1-SD 3.39Å |
| 795 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -56.9 | -28.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P791 M797 L798 M828 V831 N832 | P791-A795 WeakPolarHBondContact O-CB 3.26Å; P791-A795 PolarHBondContact O-N 2.93Å; A795-M797 PolarHBondContact O-N 2.89Å; A795-L798 WeakPolarHBondContact O-CB 3.39Å; A795-L798 PolarHBondContact O-N 3.32Å; A795-M828 HydrophobicContact CB-CB 3.94Å; A795-M828 HydrophobicContact CB-CG 4.09Å; A795-V831 HydrophobicContact CB-CB 4.11Å; A795-V831 HydrophobicContact CB-CG1 4.02Å; A795-N832 HydrophobicContact CB-CB 4Å; A795-N832 PolarHBondContact O-ND2 3.4Å |
| 796 | P | 98 | Very high | 97.8 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -58.8 | -26.6 | 172 | -27.3 | 37 | 0 | 0 | 0 | 114.3 | Q792 V794 | Q792-P796 WeakPolarHBondContact O-CD 3.41Å; V794-P796 VanDerWaalsContact C-N 3.29Å; V794-P796 VanDerWaalsContact O-N 3.15Å |
| 797 | M | 97.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -93 | 2.3 | -179.1 | -62.4 | -173.1 | 73.1 | 0 | 0 | 113.8 | L759 V763 V794 A795 Q799 Q800 F801 | L759-M797 HydrophobicContact CD2-SD 3.56Å; L759-M797 VanDerWaalsContact CD2-SD 3.56Å; L759-M797 HydrophobicContact CG-SD 3.71Å; V763-M797 HydrophobicContact CB-CE 3.86Å; V763-M797 HydrophobicContact CG1-CE 3.88Å; V763-M797 HydrophobicContact CG2-CE 3.59Å; V763-M797 HydrophobicContact CG2-SD 4.25Å; V794-M797 PolarHBondContact O-N 2.64Å; A795-M797 PolarHBondContact O-N 2.89Å; M797-Q799 VanDerWaalsContact C-N 3.28Å; M797-Q799 PolarHBondContact O-N 2.87Å; M797-Q799 VanDerWaalsContact O-N 3.14Å; M797-Q800 VanDerWaalsContact O-CB 3.32Å; M797-Q800 WeakPolarHBondContact O-CB 3.36Å; M797-Q800 PolarHBondContact O-N 3.41Å; M797-F801 HydrophobicContact CB-CD1 4.32Å; M797-F801 HydrophobicContact CB-CE1 4.14Å; M797-F801 WeakPolarHBondContact O-CD1 3.41Å; M797-F801 WeakPolarHBondContact O-CE1 3.35Å |
| 798 | L | 96.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.1 | -41.2 | -171.1 | -166.9 | 60.5 | 0 | 0 | 0 | 113.8 | A795 Q800 F801 I802 I825 M828 I829 V836 | A795-L798 WeakPolarHBondContact O-CB 3.39Å; A795-L798 PolarHBondContact O-N 3.32Å; L798-Q800 PolarHBondContact O-N 3.07Å; L798-F801 HydrophobicContact CD1-CE2 3.88Å; L798-F801 HydrophobicContact CD1-CZ 3.65Å; L798-F801 PolarHBondContact O-N 2.96Å; L798-I802 HydrophobicContact CD1-CD1 4.45Å; L798-I802 VanDerWaalsContact O-CB 3.29Å; L798-I802 WeakPolarHBondContact O-CB 3.41Å; L798-I802 WeakPolarHBondContact O-CG2 3.49Å; L798-I802 PolarHBondContact O-N 3.1Å; L798-I825 HydrophobicContact CD1-CD1 3.5Å; L798-I825 HydrophobicContact CD1-CG1 4.47Å; L798-M828 HydrophobicContact CD1-CB 4.15Å; L798-M828 HydrophobicContact CD1-CE 4.43Å; L798-M828 HydrophobicContact CD1-SD 4.37Å; L798-M828 HydrophobicContact CD2-CB 4.29Å; L798-I829 HydrophobicContact CD2-CG1 4Å; L798-V836 HydrophobicContact CD1-CG2 4.32Å; L798-V836 HydrophobicContact CD2-CG2 3.46Å; L798-V836 VanDerWaalsContact CD2-CG2 3.46Å; L798-V836 HydrophobicContact CG-CG2 3.63Å |
| 799 | Q | 96.8 | Very high | 97.4 | Very high | 103 Ų | 103 | 39.1 Ų | 39.1 | 48% | 0.481 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -23.6 | 178.1 | -167.3 | -179.5 | 7.3 | 0 | 0 | 113.3 | M797 G835 | M797-Q799 VanDerWaalsContact C-N 3.28Å; M797-Q799 PolarHBondContact O-N 2.87Å; M797-Q799 VanDerWaalsContact O-N 3.14Å; Q799-G835 VanDerWaalsContact CA-O 3.27Å; Q799-G835 WeakPolarHBondContact CA-O 3.49Å; Q799-G835 PolarHBondContact N-O 2.95Å |
| 800 | Q | 97.7 | Very high | 97.1 | Very high | 110 Ų | 110 | 42.6 Ų | 42.6 | 51% | 0.514 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -82.6 | -21.9 | -175.4 | -57.6 | -177.8 | 17.9 | 0 | 0 | 113.2 | V763 N767 M797 L798 | V763-Q800 HydrophobicContact CG1-CB 3.95Å; N767-Q800 PolarHBondContact ND2-O 2.78Å; N767-Q800 PolarHBondContact OD1-O 2.84Å; M797-Q800 VanDerWaalsContact O-CB 3.32Å; M797-Q800 WeakPolarHBondContact O-CB 3.36Å; M797-Q800 PolarHBondContact O-N 3.41Å; L798-Q800 PolarHBondContact O-N 3.07Å |
| 801 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -127.8 | -11.4 | -175 | 66.7 | -102.3 | 0 | 0 | 0 | 114.4 | V763 I766 I783 V794 M797 L798 R803 P804 W805 I825 M828 | V763-F801 HydrophobicContact CG2-CD1 4.08Å; I766-F801 HydrophobicContact CG2-CB 3.83Å; I783-F801 HydrophobicContact CG2-CD1 4.22Å; I783-F801 HydrophobicContact CG2-CD2 3.88Å; I783-F801 HydrophobicContact CG2-CE1 3.86Å; I783-F801 HydrophobicContact CG2-CE2 3.51Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.5Å; I783-F801 VanDerWaalsContact CG2-CZ 3.5Å; V794-F801 HydrophobicContact CG1-CE1 4.34Å; V794-F801 HydrophobicContact CG1-CZ 4.35Å; M797-F801 HydrophobicContact CB-CD1 4.32Å; M797-F801 HydrophobicContact CB-CE1 4.14Å; M797-F801 WeakPolarHBondContact O-CD1 3.41Å; M797-F801 WeakPolarHBondContact O-CE1 3.35Å; L798-F801 HydrophobicContact CD1-CE2 3.88Å; L798-F801 HydrophobicContact CD1-CZ 3.65Å; L798-F801 PolarHBondContact O-N 2.96Å; F801-R803 PolarHBondContact O-N 3.25Å; F801-R803 VanDerWaalsContact O-N 3.15Å; F801-P804 WeakPolarHBondContact O-CD 3.33Å; F801-P804 VanDerWaalsContact O-CG 3.31Å; F801-P804 WeakPolarHBondContact O-CG 3.45Å; F801-W805 HydrophobicContact CD2-CB 4.01Å; F801-W805 HydrophobicContact CD2-CG 4.22Å; F801-W805 WeakPolarHBondContact O-CB 3.29Å; F801-W805 PolarHBondContact O-N 3.38Å; F801-I825 HydrophobicContact CE2-CD1 3.86Å; F801-M828 HydrophobicContact CE2-CE 4.27Å; F801-M828 HydrophobicContact CZ-CE 3.92Å; F801-M828 HydrophobicContact CZ-SD 4.03Å |
| 802 | I | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.1 | -36.2 | -173.3 | -172.2 | 66.2 | 0 | 0 | 0 | 113.3 | L798 W805 C806 I825 V836 D839 | L798-I802 HydrophobicContact CD1-CD1 4.45Å; L798-I802 VanDerWaalsContact O-CB 3.29Å; L798-I802 WeakPolarHBondContact O-CB 3.41Å; L798-I802 WeakPolarHBondContact O-CG2 3.49Å; L798-I802 PolarHBondContact O-N 3.1Å; I802-W805 HydrophobicContact CD1-CE3 4.49Å; I802-C806 WeakPolarHBondContact O-CB 3.41Å; I802-C806 PolarHBondContact O-N 3.06Å; I802-C806 PolarHBondContact O-SG 3.04Å; I802-C806 VanDerWaalsContact O-SG 3.32Å; I802-I825 HydrophobicContact CD1-CD1 3.76Å; I802-I825 HydrophobicContact CD1-CG1 3.78Å; I802-V836 HydrophobicContact CB-CG2 4.49Å; I802-V836 HydrophobicContact CD1-CG2 4.07Å; I802-V836 HydrophobicContact CG1-CG1 4.13Å; I802-V836 HydrophobicContact CG1-CG2 3.92Å; I802-D839 HydrophobicContact CG2-CB 3.99Å |
| 803 | R | 97.6 | Very high | 95.6 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 48% | 0.475 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.1 | -60.8 | 178.8 | -68.8 | -176.3 | -175.2 | -170.8 | -1.7 | 113 | F801 W805 C806 T807 D839 F842 | F801-R803 PolarHBondContact O-N 3.25Å; F801-R803 VanDerWaalsContact O-N 3.15Å; R803-W805 VanDerWaalsContact C-N 3.27Å; R803-W805 PolarHBondContact O-N 2.91Å; R803-C806 PolarHBondContact O-N 3.48Å; R803-T807 WeakPolarHBondContact O-CB 3.4Å; R803-T807 PolarHBondContact O-N 3.12Å; R803-T807 PolarHBondContact O-OG1 3.1Å; R803-D839 HydrophobicContact CG-CB 4Å; R803-D839 WeakPolarHBondContact CG-OD2 3.29Å; R803-D839 IonicContact CZ-OD1 2.8Å; R803-D839 IonicContact CZ-OD2 2.7Å; R803-D839 IonicContact NE-OD1 2.7Å; R803-D839 PolarHBondContact NE-OD1 2.68Å; R803-D839 IonicContact NE-OD2 3.77Å; R803-D839 PolarHBondContact NE-OD2 2.96Å; R803-D839 IonicContact NH2-OD1 2.86Å; R803-D839 PolarHBondContact NH2-OD1 3.19Å; R803-D839 IonicContact NH2-OD2 2.99Å; R803-F842 HydrophobicContact CG-CD2 4.08Å; R803-F842 HydrophobicContact CG-CE2 4.03Å; R803-F842 HydrophobicContact CG-CZ 4.46Å |
| 804 | P | 97.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 42 Ų | 42 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 178.9 | 27.8 | -37.2 | 0 | 0 | 0 | 111.4 | I766 F801 C806 T807 S808 | I766-P804 HydrophobicContact CD1-CG 4.47Å; I766-P804 HydrophobicContact CG1-CB 4Å; I766-P804 HydrophobicContact CG1-CG 4.03Å; I766-P804 HydrophobicContact CG2-CG 4.24Å; I766-P804 VanDerWaalsContact O-CB 3.23Å; I766-P804 WeakPolarHBondContact O-CB 3.39Å; F801-P804 WeakPolarHBondContact O-CD 3.33Å; F801-P804 VanDerWaalsContact O-CG 3.31Å; F801-P804 WeakPolarHBondContact O-CG 3.45Å; P804-C806 PolarHBondContact O-N 3.27Å; P804-T807 PolarHBondContact O-N 2.99Å; P804-T807 VanDerWaalsContact O-N 3.14Å; P804-S808 PolarHBondContact O-N 3.2Å; P804-S808 PolarHBondContact O-OG 3.36Å |
| 805 | W | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.5 | -50.1 | 175 | -172.3 | 97.6 | 0 | 0 | 0 | 112.9 | I766 A780 F801 I802 R803 T807 L809 A821 F822 I825 | I766-W805 HydrophobicContact CD1-CB 3.94Å; A780-W805 HydrophobicContact CB-CG 4.07Å; A780-W805 VanDerWaalsContact O-CD1 3.31Å; A780-W805 PolarHBondContact O-NE1 3.35Å; F801-W805 HydrophobicContact CD2-CB 4.01Å; F801-W805 HydrophobicContact CD2-CG 4.22Å; F801-W805 WeakPolarHBondContact O-CB 3.29Å; F801-W805 PolarHBondContact O-N 3.38Å; I802-W805 HydrophobicContact CD1-CE3 4.49Å; R803-W805 VanDerWaalsContact C-N 3.27Å; R803-W805 PolarHBondContact O-N 2.91Å; W805-T807 VanDerWaalsContact C-N 3.34Å; W805-L809 HydrophobicContact CD2-CD1 4.11Å; W805-L809 HydrophobicContact CH2-CD1 3.87Å; W805-L809 HydrophobicContact CZ2-CD1 3.4Å; W805-L809 VanDerWaalsContact CZ2-CD1 3.4Å; W805-L809 HydrophobicContact CZ3-CD1 4.41Å; W805-L809 PolarHBondContact O-N 2.98Å; W805-A821 HydrophobicContact CZ2-CB 4.09Å; W805-F822 AromaticContact CH2-CD1 3.98Å; W805-F822 HydrophobicContact CH2-CD1 3.98Å; W805-F822 AromaticContact CH2-CD2 3.75Å; W805-F822 HydrophobicContact CH2-CD2 3.75Å; W805-F822 HydrophobicContact CH2-CE1 4.08Å; W805-F822 AromaticContact CH2-CE2 3.86Å; W805-F822 HydrophobicContact CH2-CE2 3.86Å; W805-F822 AromaticContact CH2-CG 3.85Å; W805-F822 HydrophobicContact CH2-CG 3.85Å; W805-F822 HydrophobicContact CH2-CZ 4.04Å; W805-F822 HydrophobicContact CZ3-CD1 4.36Å; W805-F822 HydrophobicContact CZ3-CE1 4.07Å; W805-F822 HydrophobicContact CZ3-CE2 4.29Å; W805-F822 HydrophobicContact CZ3-CZ 4.06Å; W805-I825 HydrophobicContact CD2-CD1 4.19Å; W805-I825 HydrophobicContact CD2-CG1 4.44Å; W805-I825 HydrophobicContact CE3-CD1 4.35Å; W805-I825 HydrophobicContact CE3-CG1 4.15Å; W805-I825 HydrophobicContact CH2-CB 3.67Å; W805-I825 HydrophobicContact CH2-CG1 4.03Å; W805-I825 HydrophobicContact CH2-CG2 3.59Å; W805-I825 HydrophobicContact CZ2-CB 3.85Å; W805-I825 HydrophobicContact CZ2-CD1 4.42Å; W805-I825 HydrophobicContact CZ2-CG1 4.26Å; W805-I825 HydrophobicContact CZ2-CG2 4.27Å; W805-I825 HydrophobicContact CZ3-CB 4.1Å; W805-I825 HydrophobicContact CZ3-CG1 3.96Å; W805-I825 HydrophobicContact CZ3-CG2 3.95Å |
| 806 | C | 98 | Very high | 94.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 176.4 | -74.1 | 0 | 0 | 0 | 0 | 112.2 | I802 R803 P804 R810 F842 A846 | I802-C806 WeakPolarHBondContact O-CB 3.41Å; I802-C806 PolarHBondContact O-N 3.06Å; I802-C806 PolarHBondContact O-SG 3.04Å; I802-C806 VanDerWaalsContact O-SG 3.32Å; R803-C806 PolarHBondContact O-N 3.48Å; P804-C806 PolarHBondContact O-N 3.27Å; C806-R810 WeakPolarHBondContact O-CB 3.41Å; C806-R810 WeakPolarHBondContact O-CG 3.44Å; C806-R810 PolarHBondContact O-N 3.12Å; C806-F842 HydrophobicContact CB-CB 3.73Å; C806-F842 WeakPolarHBondContact CB-O 3.46Å; C806-A846 HydrophobicContact CB-CB 3.88Å |
| 807 | T | 95.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67 | -37.6 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | R803 P804 W805 R810 | R803-T807 WeakPolarHBondContact O-CB 3.4Å; R803-T807 PolarHBondContact O-N 3.12Å; R803-T807 PolarHBondContact O-OG1 3.1Å; P804-T807 PolarHBondContact O-N 2.99Å; P804-T807 VanDerWaalsContact O-N 3.14Å; W805-T807 VanDerWaalsContact C-N 3.34Å; T807-R810 WeakPolarHBondContact O-CG 3.27Å; T807-R810 PolarHBondContact O-NE 3.31Å |
| 808 | S | 94.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.6 | -55.5 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | P804 R810 N811 | P804-S808 PolarHBondContact O-N 3.2Å; P804-S808 PolarHBondContact O-OG 3.36Å; S808-R810 VanDerWaalsContact C-N 3.27Å; S808-R810 PolarHBondContact O-N 2.97Å; S808-N811 PolarHBondContact O-N 3.5Å |
| 809 | L | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.2 | -7.6 | -170.4 | -61.2 | -169.5 | 0 | 0 | 0 | 115.5 | E777 A780 I781 W805 N811 I812 K818 A821 F822 | E777-L809 HydrophobicContact CB-CD2 4.46Å; A780-L809 HydrophobicContact CB-CD1 3.94Å; A780-L809 HydrophobicContact CB-CD2 3.8Å; A780-L809 HydrophobicContact CB-CG 3.65Å; I781-L809 HydrophobicContact CD1-CD2 4.32Å; I781-L809 HydrophobicContact CG1-CD1 4.37Å; I781-L809 HydrophobicContact CG1-CD2 3.83Å; W805-L809 HydrophobicContact CD2-CD1 4.11Å; W805-L809 HydrophobicContact CH2-CD1 3.87Å; W805-L809 HydrophobicContact CZ2-CD1 3.4Å; W805-L809 VanDerWaalsContact CZ2-CD1 3.4Å; W805-L809 HydrophobicContact CZ3-CD1 4.41Å; W805-L809 PolarHBondContact O-N 2.98Å; L809-N811 PolarHBondContact O-N 2.87Å; L809-I812 HydrophobicContact CB-CD1 4.49Å; L809-I812 HydrophobicContact CB-CG1 4.37Å; L809-I812 HydrophobicContact CD2-CD1 3.71Å; L809-I812 HydrophobicContact CD2-CG1 4.21Å; L809-I812 VanDerWaalsContact O-CG1 3.31Å; L809-I812 WeakPolarHBondContact O-CG1 3.38Å; L809-K818 WeakPolarHBondContact O-CE 3.09Å; L809-A821 HydrophobicContact CD1-CB 3.96Å; L809-F822 HydrophobicContact CB-CE2 4.05Å; L809-F822 HydrophobicContact CD1-CE2 4.38Å |
| 810 | R | 91.9 | Very high | 94.2 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26 | 172.9 | 68.1 | -178.2 | 178.7 | 160.1 | 6.9 | 112.4 | C806 T807 S808 D845 S849 | C806-R810 WeakPolarHBondContact O-CB 3.41Å; C806-R810 WeakPolarHBondContact O-CG 3.44Å; C806-R810 PolarHBondContact O-N 3.12Å; T807-R810 WeakPolarHBondContact O-CG 3.27Å; T807-R810 PolarHBondContact O-NE 3.31Å; S808-R810 VanDerWaalsContact C-N 3.27Å; S808-R810 PolarHBondContact O-N 2.97Å; R810-D845 VanDerWaalsContact CD-OD2 3.22Å; R810-D845 WeakPolarHBondContact CD-OD2 3.32Å; R810-D845 IonicContact CZ-OD2 2.8Å; R810-D845 IonicContact NE-OD2 3.34Å; R810-D845 IonicContact NH1-OD2 3.31Å; R810-D845 PolarHBondContact NH1-OD2 2.89Å; R810-S849 WeakPolarHBondContact CA-OG 3.19Å; R810-S849 WeakPolarHBondContact O-CB 3.35Å; R810-S849 PolarHBondContact O-OG 2.81Å |
| 811 | N | 86.9 | Confident | 94.2 | Very high | 85 Ų | 85 | 38.5 Ų | 38.5 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.4 | -173.2 | -65.6 | -26.3 | 0 | 0 | 0 | 114.3 | H357 S808 L809 | H357-N811 PolarHBondContact ND1-O 3.08Å; S808-N811 PolarHBondContact O-N 3.5Å; L809-N811 PolarHBondContact O-N 2.87Å |
| 812 | I | 88.1 | Confident | 94.2 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -90.3 | 147.6 | 178.9 | 63.3 | 158.5 | 0 | 0 | 0 | 111.2 | Q355 E777 I781 L809 K818 | Q355-I812 HydrophobicContact CB-CG2 4.06Å; Q355-I812 HydrophobicContact CG-CG2 4.37Å; E777-I812 HydrophobicContact CB-CG2 4.39Å; E777-I812 VanDerWaalsContact CD-CG2 3.42Å; E777-I812 HydrophobicContact CG-CG2 3.88Å; I781-I812 HydrophobicContact CD1-CD1 4.26Å; L809-I812 HydrophobicContact CB-CD1 4.49Å; L809-I812 HydrophobicContact CB-CG1 4.37Å; L809-I812 HydrophobicContact CD2-CD1 3.71Å; L809-I812 HydrophobicContact CD2-CG1 4.21Å; L809-I812 VanDerWaalsContact O-CG1 3.31Å; L809-I812 WeakPolarHBondContact O-CG1 3.38Å; I812-K818 HydrophobicContact CD1-CB 3.65Å; I812-K818 HydrophobicContact CD1-CD 4.12Å; I812-K818 HydrophobicContact CD1-CG 3.66Å; I812-K818 HydrophobicContact CG1-CB 4.35Å; I812-K818 HydrophobicContact CG1-CD 3.87Å; I812-K818 HydrophobicContact CG1-CG 3.93Å; I812-K818 PolarHBondContact O-NZ 2.94Å |
| 813 | R | 86.8 | Confident | 94.2 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | trans | -59.2 | 152.7 | 175.9 | -76.1 | -176.4 | -177.5 | 164.7 | 6.2 | 112.3 | Q356 H357 D358 N815 K818 | Q356-R813 WeakPolarHBondContact O-CG 3.4Å; Q356-R813 PolarHBondContact O-N 3.04Å; Q356-R813 VanDerWaalsContact OE1-NH1 3.1Å; H357-R813 PolarHBondContact O-NE 3.05Å; H357-R813 VanDerWaalsContact O-NE 3.12Å; H357-R813 PolarHBondContact O-NH2 3.29Å; D358-R813 WeakPolarHBondContact OD1-CD 3.34Å; D358-R813 VanDerWaalsContact OD1-CG 3.3Å; D358-R813 WeakPolarHBondContact OD1-CG 3.33Å; D358-R813 IonicContact OD1-CZ 2.94Å; D358-R813 IonicContact OD1-NE 2.77Å; D358-R813 PolarHBondContact OD1-NE 3.11Å; D358-R813 IonicContact OD1-NH2 3.12Å; R813-N815 PolarHBondContact O-N 3.33Å; R813-K818 WeakPolarHBondContact O-CD 3.3Å | ||
| 814 | D | 89.5 | Confident | 94.2 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -70.2 | 96.4 | 175 | -72 | -5.2 | 0 | 0 | 0 | 110.4 | K818 W850 I851 N852 | D814-K818 IonicContact OD1-NZ 3.45Å; D814-K818 PolarHBondContact OD1-NZ 2.97Å; D814-W850 HydrophobicContact CB-CE3 4.01Å; D814-W850 HydrophobicContact CB-CZ3 3.89Å; D814-I851 PolarHBondContact OD2-N 3.21Å; D814-N852 PolarHBondContact OD2-N 2.84Å; D814-N852 VanDerWaalsContact OD2-N 3.14Å |
| 815 | N | 89.9 | Confident | 94.3 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -130.1 | -175.9 | 179.7 | 64.3 | 7.6 | 0 | 0 | 0 | 112.5 | Q355 R813 E817 K818 D819 | Q355-N815 PolarHBondContact OE1-ND2 3.45Å; R813-N815 PolarHBondContact O-N 3.33Å; N815-E817 VanDerWaalsContact C-N 3.33Å; N815-E817 PolarHBondContact ND2-OE2 3.46Å; N815-E817 PolarHBondContact OD1-N 3.31Å; N815-E817 PolarHBondContact OD1-OE2 3.4Å; N815-K818 VanDerWaalsContact OD1-CB 3.3Å; N815-K818 WeakPolarHBondContact OD1-CB 3.36Å; N815-K818 PolarHBondContact OD1-N 2.9Å; N815-D819 WeakPolarHBondContact O-CB 3.42Å; N815-D819 PolarHBondContact O-N 3.35Å |
| 816 | E | 90.6 | Very high | 94.3 | Very high | 143 Ų | 143 | 32.7 Ų | 32.7 | 67% | 0.668 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -68.2 | -33.6 | -178.6 | -62.2 | -161.8 | 155.4 | 0 | 0 | 112.3 | D819 S820 | E816-D819 PolarHBondContact O-N 3.39Å; E816-S820 WeakPolarHBondContact O-CB 3.44Å; E816-S820 PolarHBondContact O-N 3.3Å; E816-S820 PolarHBondContact O-OG 3.12Å |
| 817 | E | 93.2 | Very high | 94.2 | Very high | 42 Ų | 42 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -53.1 | 176.1 | -65.8 | 74.3 | -170.1 | 0 | 0 | 110.4 | I781 N815 D819 S820 A821 | I781-E817 HydrophobicContact CD1-CB 4.04Å; I781-E817 HydrophobicContact CG2-CB 4.28Å; N815-E817 VanDerWaalsContact C-N 3.33Å; N815-E817 PolarHBondContact ND2-OE2 3.46Å; N815-E817 PolarHBondContact OD1-N 3.31Å; N815-E817 PolarHBondContact OD1-OE2 3.4Å; E817-D819 PolarHBondContact O-N 3.1Å; E817-S820 PolarHBondContact O-N 3.02Å; E817-S820 PolarHBondContact O-OG 3.49Å; E817-A821 WeakPolarHBondContact O-CB 3.49Å; E817-A821 PolarHBondContact O-N 3.46Å |
| 818 | K | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.1 | -161.4 | -174.8 | -173.8 | 175.9 | 0 | 110.7 | L809 I812 R813 D814 N815 S820 A821 F822 S849 W850 | L809-K818 WeakPolarHBondContact O-CE 3.09Å; I812-K818 HydrophobicContact CD1-CB 3.65Å; I812-K818 HydrophobicContact CD1-CD 4.12Å; I812-K818 HydrophobicContact CD1-CG 3.66Å; I812-K818 HydrophobicContact CG1-CB 4.35Å; I812-K818 HydrophobicContact CG1-CD 3.87Å; I812-K818 HydrophobicContact CG1-CG 3.93Å; I812-K818 PolarHBondContact O-NZ 2.94Å; R813-K818 WeakPolarHBondContact O-CD 3.3Å; D814-K818 IonicContact OD1-NZ 3.45Å; D814-K818 PolarHBondContact OD1-NZ 2.97Å; N815-K818 VanDerWaalsContact OD1-CB 3.3Å; N815-K818 WeakPolarHBondContact OD1-CB 3.36Å; N815-K818 PolarHBondContact OD1-N 2.9Å; K818-S820 PolarHBondContact O-N 3.26Å; K818-A821 PolarHBondContact O-N 3.06Å; K818-F822 HydrophobicContact CD-CE2 4.35Å; K818-F822 HydrophobicContact CG-CD2 3.74Å; K818-F822 HydrophobicContact CG-CE2 3.63Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.43Å; K818-F822 PolarHBondContact O-N 3.18Å; K818-S849 PolarHBondContact NZ-OG 3.46Å; K818-W850 HydrophobicContact CB-CH2 3.99Å; K818-W850 HydrophobicContact CB-CZ2 3.89Å; K818-W850 HydrophobicContact CD-CD2 4.36Å; K818-W850 HydrophobicContact CD-CH2 4.06Å; K818-W850 HydrophobicContact CD-CZ2 3.7Å; K818-W850 HydrophobicContact CG-CH2 3.99Å; K818-W850 HydrophobicContact CG-CZ2 3.44Å; K818-W850 VanDerWaalsContact CG-CZ2 3.44Å |
| 819 | D | 97.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 179.3 | 175.5 | 78.4 | 0 | 0 | 0 | 111 | N815 E816 E817 A821 F822 R823 W850 K854 L857 | N815-D819 WeakPolarHBondContact O-CB 3.42Å; N815-D819 PolarHBondContact O-N 3.35Å; E816-D819 PolarHBondContact O-N 3.39Å; E817-D819 PolarHBondContact O-N 3.1Å; D819-A821 PolarHBondContact O-N 3.08Å; D819-F822 PolarHBondContact O-N 2.93Å; D819-R823 VanDerWaalsContact CG-NE 3.29Å; D819-R823 VanDerWaalsContact O-CG 3.27Å; D819-R823 WeakPolarHBondContact O-CG 3.34Å; D819-R823 PolarHBondContact O-N 3.06Å; D819-R823 IonicContact OD1-CZ 2.74Å; D819-R823 IonicContact OD1-NE 2.69Å; D819-R823 PolarHBondContact OD1-NE 2.99Å; D819-R823 IonicContact OD1-NH2 2.9Å; D819-R823 PolarHBondContact OD1-NH2 3.34Å; D819-R823 IonicContact OD2-CZ 3.29Å; D819-R823 IonicContact OD2-NE 2.94Å; D819-R823 PolarHBondContact OD2-NE 3.42Å; D819-R823 IonicContact OD2-NH2 2.9Å; D819-R823 PolarHBondContact OD2-NH2 3.33Å; D819-W850 HydrophobicContact CB-CH2 3.86Å; D819-K854 IonicContact OD2-NZ 3.67Å; D819-L857 WeakPolarHBondContact OD1-CD2 3.45Å |
| 820 | S | 97.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 179.3 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | R785 E816 E817 K818 R823 G824 | R785-S820 PolarHBondContact NE-OG 3.14Å; E816-S820 WeakPolarHBondContact O-CB 3.44Å; E816-S820 PolarHBondContact O-N 3.3Å; E816-S820 PolarHBondContact O-OG 3.12Å; E817-S820 PolarHBondContact O-N 3.02Å; E817-S820 PolarHBondContact O-OG 3.49Å; K818-S820 PolarHBondContact O-N 3.26Å; S820-R823 PolarHBondContact O-N 2.81Å; S820-G824 PolarHBondContact O-N 3.45Å |
| 821 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I781 W805 L809 E817 K818 D819 G824 I825 | I781-A821 HydrophobicContact CB-CB 4.44Å; I781-A821 HydrophobicContact CG1-CB 4.33Å; I781-A821 HydrophobicContact CG2-CB 4.48Å; W805-A821 HydrophobicContact CZ2-CB 4.09Å; L809-A821 HydrophobicContact CD1-CB 3.96Å; E817-A821 WeakPolarHBondContact O-CB 3.49Å; E817-A821 PolarHBondContact O-N 3.46Å; K818-A821 PolarHBondContact O-N 3.06Å; D819-A821 PolarHBondContact O-N 3.08Å; A821-G824 WeakPolarHBondContact O-CA 3.45Å; A821-G824 PolarHBondContact O-N 3.16Å; A821-G824 VanDerWaalsContact O-N 3.14Å; A821-I825 PolarHBondContact O-N 3.18Å |
| 822 | F | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.3 | -30.2 | 178.9 | -86.3 | -100 | 0 | 0 | 0 | 113.1 | W805 L809 K818 D819 G824 I825 C826 A846 V847 W850 L857 F861 | W805-F822 AromaticContact CH2-CD1 3.98Å; W805-F822 HydrophobicContact CH2-CD1 3.98Å; W805-F822 AromaticContact CH2-CD2 3.75Å; W805-F822 HydrophobicContact CH2-CD2 3.75Å; W805-F822 HydrophobicContact CH2-CE1 4.08Å; W805-F822 AromaticContact CH2-CE2 3.86Å; W805-F822 HydrophobicContact CH2-CE2 3.86Å; W805-F822 AromaticContact CH2-CG 3.85Å; W805-F822 HydrophobicContact CH2-CG 3.85Å; W805-F822 HydrophobicContact CH2-CZ 4.04Å; W805-F822 HydrophobicContact CZ3-CD1 4.36Å; W805-F822 HydrophobicContact CZ3-CE1 4.07Å; W805-F822 HydrophobicContact CZ3-CE2 4.29Å; W805-F822 HydrophobicContact CZ3-CZ 4.06Å; L809-F822 HydrophobicContact CB-CE2 4.05Å; L809-F822 HydrophobicContact CD1-CE2 4.38Å; K818-F822 HydrophobicContact CD-CE2 4.35Å; K818-F822 HydrophobicContact CG-CD2 3.74Å; K818-F822 HydrophobicContact CG-CE2 3.63Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.43Å; K818-F822 PolarHBondContact O-N 3.18Å; D819-F822 PolarHBondContact O-N 2.93Å; F822-G824 VanDerWaalsContact C-N 3.25Å; F822-G824 PolarHBondContact O-N 2.91Å; F822-I825 HydrophobicContact CD1-CG2 4.29Å; F822-I825 WeakPolarHBondContact O-CG2 3.45Å; F822-I825 PolarHBondContact O-N 3.01Å; F822-C826 WeakPolarHBondContact O-CB 3.29Å; F822-C826 PolarHBondContact O-N 2.93Å; F822-C826 PolarHBondContact O-SG 3.28Å; F822-A846 HydrophobicContact CE1-CB 3.99Å; F822-A846 WeakPolarHBondContact CE1-O 3.26Å; F822-A846 HydrophobicContact CZ-CB 3.9Å; F822-A846 WeakPolarHBondContact CZ-O 3.4Å; F822-V847 HydrophobicContact CE1-CG2 4.41Å; F822-W850 HydrophobicContact CB-CZ2 4.21Å; F822-W850 AromaticContact CD1-NE1 3.53Å; F822-W850 AromaticContact CD2-CZ2 3.89Å; F822-W850 HydrophobicContact CD2-CZ2 3.89Å; F822-W850 AromaticContact CD2-NE1 3.52Å; F822-W850 AromaticContact CE1-NE1 3.5Å; F822-W850 HydrophobicContact CE2-CZ2 4.45Å; F822-W850 AromaticContact CE2-NE1 3.48Å; F822-W850 HydrophobicContact CG-CZ2 4.11Å; F822-W850 AromaticContact CG-NE1 3.52Å; F822-W850 AromaticContact CZ-NE1 3.45Å; F822-L857 HydrophobicContact CB-CD1 4.16Å; F822-L857 HydrophobicContact CB-CD2 4.2Å; F822-F861 HydrophobicContact CB-CE1 4.15Å; F822-F861 HydrophobicContact CB-CZ 4.09Å; F822-F861 AromaticContact CD1-CE1 3.7Å; F822-F861 HydrophobicContact CD1-CE1 3.7Å; F822-F861 AromaticContact CD1-CZ 3.67Å; F822-F861 HydrophobicContact CD1-CZ 3.67Å; F822-F861 HydrophobicContact CE1-CZ 4.43Å; F822-F861 HydrophobicContact CG-CE1 4.35Å; F822-F861 HydrophobicContact CG-CZ 4.16Å |
| 823 | R | 98.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 167.7 | -71.9 | 169.8 | -172.1 | -74.1 | -12.5 | 111 | Y788 D819 S820 T827 D856 L857 | Y788-R823 HydrophobicContact CD2-CB 3.85Å; Y788-R823 HydrophobicContact CE2-CB 3.77Å; Y788-R823 HydrophobicContact CG-CB 4.37Å; D819-R823 VanDerWaalsContact CG-NE 3.29Å; D819-R823 VanDerWaalsContact O-CG 3.27Å; D819-R823 WeakPolarHBondContact O-CG 3.34Å; D819-R823 PolarHBondContact O-N 3.06Å; D819-R823 IonicContact OD1-CZ 2.74Å; D819-R823 IonicContact OD1-NE 2.69Å; D819-R823 PolarHBondContact OD1-NE 2.99Å; D819-R823 IonicContact OD1-NH2 2.9Å; D819-R823 PolarHBondContact OD1-NH2 3.34Å; D819-R823 IonicContact OD2-CZ 3.29Å; D819-R823 IonicContact OD2-NE 2.94Å; D819-R823 PolarHBondContact OD2-NE 3.42Å; D819-R823 IonicContact OD2-NH2 2.9Å; D819-R823 PolarHBondContact OD2-NH2 3.33Å; S820-R823 PolarHBondContact O-N 2.81Å; R823-T827 WeakPolarHBondContact O-CB 3.33Å; R823-T827 PolarHBondContact O-N 2.65Å; R823-T827 PolarHBondContact O-OG1 3.3Å; R823-D856 IonicContact CZ-OD1 2.81Å; R823-D856 IonicContact CZ-OD2 3.9Å; R823-D856 VanDerWaalsContact CZ-OD2 3.29Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 2.66Å; R823-D856 IonicContact NH1-OD2 3.46Å; R823-D856 PolarHBondContact NH1-OD2 2.86Å; R823-D856 VanDerWaalsContact NH2-CG 3.3Å; R823-D856 IonicContact NH2-OD1 3.34Å; R823-D856 PolarHBondContact NH2-OD1 3.13Å; R823-D856 IonicContact NH2-OD2 3.26Å; R823-D856 PolarHBondContact NH2-OD2 3.2Å; R823-D856 VanDerWaalsContact NH2-OD2 3.12Å; R823-L857 HydrophobicContact CG-CD1 4Å |
| 824 | G | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -52.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G784 Y788 S820 A821 F822 C826 T827 M828 | G784-G824 VanDerWaalsContact O-CA 3.27Å; G784-G824 WeakPolarHBondContact O-CA 3.24Å; Y788-G824 VanDerWaalsContact CB-CA 3.48Å; S820-G824 PolarHBondContact O-N 3.45Å; A821-G824 WeakPolarHBondContact O-CA 3.45Å; A821-G824 PolarHBondContact O-N 3.16Å; A821-G824 VanDerWaalsContact O-N 3.14Å; F822-G824 VanDerWaalsContact C-N 3.25Å; F822-G824 PolarHBondContact O-N 2.91Å; G824-C826 VanDerWaalsContact C-N 3.32Å; G824-C826 PolarHBondContact O-N 3.11Å; G824-T827 PolarHBondContact O-N 3.15Å; G824-T827 VanDerWaalsContact O-N 3.16Å; G824-M828 WeakPolarHBondContact O-CG 3.33Å; G824-M828 PolarHBondContact O-N 3.41Å |
| 825 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | -179.7 | -150.9 | 64.4 | 0 | 0 | 0 | 111.3 | L798 F801 I802 W805 A821 F822 T827 M828 I829 F843 | L798-I825 HydrophobicContact CD1-CD1 3.5Å; L798-I825 HydrophobicContact CD1-CG1 4.47Å; F801-I825 HydrophobicContact CE2-CD1 3.86Å; I802-I825 HydrophobicContact CD1-CD1 3.76Å; I802-I825 HydrophobicContact CD1-CG1 3.78Å; W805-I825 HydrophobicContact CD2-CD1 4.19Å; W805-I825 HydrophobicContact CD2-CG1 4.44Å; W805-I825 HydrophobicContact CE3-CD1 4.35Å; W805-I825 HydrophobicContact CE3-CG1 4.15Å; W805-I825 HydrophobicContact CH2-CB 3.67Å; W805-I825 HydrophobicContact CH2-CG1 4.03Å; W805-I825 HydrophobicContact CH2-CG2 3.59Å; W805-I825 HydrophobicContact CZ2-CB 3.85Å; W805-I825 HydrophobicContact CZ2-CD1 4.42Å; W805-I825 HydrophobicContact CZ2-CG1 4.26Å; W805-I825 HydrophobicContact CZ2-CG2 4.27Å; W805-I825 HydrophobicContact CZ3-CB 4.1Å; W805-I825 HydrophobicContact CZ3-CG1 3.96Å; W805-I825 HydrophobicContact CZ3-CG2 3.95Å; A821-I825 PolarHBondContact O-N 3.18Å; F822-I825 HydrophobicContact CD1-CG2 4.29Å; F822-I825 WeakPolarHBondContact O-CG2 3.45Å; F822-I825 PolarHBondContact O-N 3.01Å; I825-T827 VanDerWaalsContact C-N 3.32Å; I825-T827 PolarHBondContact O-N 3.28Å; I825-M828 HydrophobicContact CD1-CE 3.69Å; I825-M828 PolarHBondContact O-N 3.43Å; I825-I829 HydrophobicContact CG1-CD1 4.33Å; I825-I829 WeakPolarHBondContact O-CB 3.49Å; I825-I829 WeakPolarHBondContact O-CG1 3.29Å; I825-I829 PolarHBondContact O-N 3.4Å; I825-F843 HydrophobicContact CG2-CD2 4.41Å; I825-F843 HydrophobicContact CG2-CE2 3.78Å |
| 826 | C | 97.9 | Very high | 96 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 178 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | F822 G824 I829 S830 M860 | F822-C826 WeakPolarHBondContact O-CB 3.29Å; F822-C826 PolarHBondContact O-N 2.93Å; F822-C826 PolarHBondContact O-SG 3.28Å; G824-C826 VanDerWaalsContact C-N 3.32Å; G824-C826 PolarHBondContact O-N 3.11Å; C826-I829 PolarHBondContact O-N 3.18Å; C826-S830 PolarHBondContact O-N 3.18Å; C826-M860 HydrophobicContact CB-CB 4.04Å; C826-M860 HydrophobicContact CB-CE 3.53Å; C826-M860 HydrophobicContact CB-SD 4.32Å |
| 827 | T | 97.8 | Very high | 96 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 18% | 0.184 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | P791 R823 G824 I825 I829 S830 V831 | P791-T827 HydrophobicContact CB-CG2 3.84Å; P791-T827 HydrophobicContact CG-CG2 3.89Å; R823-T827 WeakPolarHBondContact O-CB 3.33Å; R823-T827 PolarHBondContact O-N 2.65Å; R823-T827 PolarHBondContact O-OG1 3.3Å; G824-T827 PolarHBondContact O-N 3.15Å; G824-T827 VanDerWaalsContact O-N 3.16Å; I825-T827 VanDerWaalsContact C-N 3.32Å; I825-T827 PolarHBondContact O-N 3.28Å; T827-I829 PolarHBondContact O-N 3.17Å; T827-S830 WeakPolarHBondContact O-CB 3.19Å; T827-S830 PolarHBondContact O-N 3.44Å; T827-S830 PolarHBondContact O-OG 2.98Å; T827-V831 PolarHBondContact O-N 2.67Å |
| 828 | M | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.8 | -71.8 | -169.2 | -81.9 | 0 | 0 | 112.6 | V794 A795 L798 F801 G824 I825 S830 V831 N832 | V794-M828 HydrophobicContact CB-SD 3.69Å; V794-M828 HydrophobicContact CG1-CE 4.34Å; V794-M828 HydrophobicContact CG1-SD 3.4Å; V794-M828 WeakPolarHBondContact CG1-SD 3.39Å; A795-M828 HydrophobicContact CB-CB 3.94Å; A795-M828 HydrophobicContact CB-CG 4.09Å; L798-M828 HydrophobicContact CD1-CB 4.15Å; L798-M828 HydrophobicContact CD1-CE 4.43Å; L798-M828 HydrophobicContact CD1-SD 4.37Å; L798-M828 HydrophobicContact CD2-CB 4.29Å; F801-M828 HydrophobicContact CE2-CE 4.27Å; F801-M828 HydrophobicContact CZ-CE 3.92Å; F801-M828 HydrophobicContact CZ-SD 4.03Å; G824-M828 WeakPolarHBondContact O-CG 3.33Å; G824-M828 PolarHBondContact O-N 3.41Å; I825-M828 HydrophobicContact CD1-CE 3.69Å; I825-M828 PolarHBondContact O-N 3.43Å; M828-S830 VanDerWaalsContact C-N 3.26Å; M828-S830 PolarHBondContact O-N 2.93Å; M828-V831 PolarHBondContact O-N 3.15Å; M828-N832 PolarHBondContact O-N 3.3Å |
| 829 | I | 97.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 175.4 | -69.9 | 166.6 | 0 | 0 | 0 | 110.7 | L798 I825 C826 T827 V831 N832 P833 V836 F843 V864 | L798-I829 HydrophobicContact CD2-CG1 4Å; I825-I829 HydrophobicContact CG1-CD1 4.33Å; I825-I829 WeakPolarHBondContact O-CB 3.49Å; I825-I829 WeakPolarHBondContact O-CG1 3.29Å; I825-I829 PolarHBondContact O-N 3.4Å; C826-I829 PolarHBondContact O-N 3.18Å; T827-I829 PolarHBondContact O-N 3.17Å; I829-V831 PolarHBondContact O-N 3.37Å; I829-N832 CarbonylContact O-C 3.47Å; I829-P833 VanDerWaalsContact O-CA 3.23Å; I829-P833 WeakPolarHBondContact O-CA 3.45Å; I829-P833 WeakPolarHBondContact O-CD 3.25Å; I829-P833 WeakPolarHBondContact O-CG 3.42Å; I829-V836 HydrophobicContact CD1-CG2 4.12Å; I829-V836 HydrophobicContact CG1-CB 4.44Å; I829-V836 HydrophobicContact CG1-CG2 3.69Å; I829-F843 HydrophobicContact CD1-CD2 3.87Å; I829-F843 HydrophobicContact CD1-CE1 4.46Å; I829-F843 HydrophobicContact CD1-CE2 3.71Å; I829-F843 HydrophobicContact CD1-CG 4.32Å; I829-F843 HydrophobicContact CD1-CZ 4.02Å; I829-V864 HydrophobicContact CD1-CG1 4.32Å; I829-V864 HydrophobicContact CG2-CG1 3.87Å; I829-V864 HydrophobicContact CG2-CG2 4.12Å |
| 830 | S | 95.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 61% | 0.608 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -65.6 | -27.2 | 176.9 | 79.8 | 0 | 0 | 0 | 0 | 113.4 | C826 T827 M828 | C826-S830 PolarHBondContact O-N 3.18Å; T827-S830 WeakPolarHBondContact O-CB 3.19Å; T827-S830 PolarHBondContact O-N 3.44Å; T827-S830 PolarHBondContact O-OG 2.98Å; M828-S830 VanDerWaalsContact C-N 3.26Å; M828-S830 PolarHBondContact O-N 2.93Å |
| 831 | V | 96.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -86.5 | -41.6 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | P791 A795 T827 M828 I829 | P791-V831 HydrophobicContact CB-CG2 4.02Å; P791-V831 HydrophobicContact CG-CG2 4.47Å; A795-V831 HydrophobicContact CB-CB 4.11Å; A795-V831 HydrophobicContact CB-CG1 4.02Å; T827-V831 PolarHBondContact O-N 2.67Å; M828-V831 PolarHBondContact O-N 3.15Å; I829-V831 PolarHBondContact O-N 3.37Å |
| 832 | N | 96.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | trans | -131.9 | 75.6 | 178.2 | -177.9 | 14.9 | 0 | 0 | 0 | 111.6 | A795 M828 I829 S834 G835 | A795-N832 HydrophobicContact CB-CB 4Å; A795-N832 PolarHBondContact O-ND2 3.4Å; M828-N832 PolarHBondContact O-N 3.3Å; I829-N832 CarbonylContact O-C 3.47Å; N832-S834 PolarHBondContact O-N 2.99Å; N832-S834 PolarHBondContact OD1-OG 3.34Å; N832-G835 PolarHBondContact O-N 3.34Å; N832-G835 VanDerWaalsContact O-N 3.17Å; N832-G835 PolarHBondContact OD1-N 2.91Å | ||
| 833 | P | 93.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -60 | -33.6 | 179.5 | -21.2 | 29.6 | 0 | 0 | 0 | 112.3 | I829 G835 V836 I837 | I829-P833 VanDerWaalsContact O-CA 3.23Å; I829-P833 WeakPolarHBondContact O-CA 3.45Å; I829-P833 WeakPolarHBondContact O-CD 3.25Å; I829-P833 WeakPolarHBondContact O-CG 3.42Å; P833-G835 PolarHBondContact O-N 3.23Å; P833-G835 VanDerWaalsContact O-N 3.13Å; P833-V836 PolarHBondContact O-N 3.3Å; P833-I837 WeakPolarHBondContact O-CG1 3.47Å |
| 834 | S | 93.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 56% | 0.559 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -61 | -23.5 | -178.2 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | N832 V836 | N832-S834 PolarHBondContact O-N 2.99Å; N832-S834 PolarHBondContact OD1-OG 3.34Å; S834-V836 VanDerWaalsContact C-N 3.28Å; S834-V836 PolarHBondContact O-N 3.46Å |
| 835 | G | 91.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -69.2 | -17.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q799 N832 P833 | Q799-G835 VanDerWaalsContact CA-O 3.27Å; Q799-G835 WeakPolarHBondContact CA-O 3.49Å; Q799-G835 PolarHBondContact N-O 2.95Å; N832-G835 PolarHBondContact O-N 3.34Å; N832-G835 VanDerWaalsContact O-N 3.17Å; N832-G835 PolarHBondContact OD1-N 2.91Å; P833-G835 PolarHBondContact O-N 3.23Å; P833-G835 VanDerWaalsContact O-N 3.13Å |
| 836 | V | 92.9 | Very high | 95 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -14.7 | -177.9 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | L798 I802 I829 P833 S834 Q838 D839 F840 F843 | L798-V836 HydrophobicContact CD1-CG2 4.32Å; L798-V836 HydrophobicContact CD2-CG2 3.46Å; L798-V836 VanDerWaalsContact CD2-CG2 3.46Å; L798-V836 HydrophobicContact CG-CG2 3.63Å; I802-V836 HydrophobicContact CB-CG2 4.49Å; I802-V836 HydrophobicContact CD1-CG2 4.07Å; I802-V836 HydrophobicContact CG1-CG1 4.13Å; I802-V836 HydrophobicContact CG1-CG2 3.92Å; I829-V836 HydrophobicContact CD1-CG2 4.12Å; I829-V836 HydrophobicContact CG1-CB 4.44Å; I829-V836 HydrophobicContact CG1-CG2 3.69Å; P833-V836 PolarHBondContact O-N 3.3Å; S834-V836 VanDerWaalsContact C-N 3.28Å; S834-V836 PolarHBondContact O-N 3.46Å; V836-Q838 VanDerWaalsContact C-N 3.27Å; V836-Q838 PolarHBondContact O-N 3.28Å; V836-Q838 VanDerWaalsContact O-N 3.1Å; V836-D839 CarbonylContact O-C 3.37Å; V836-D839 PolarHBondContact O-N 3.32Å; V836-F840 HydrophobicContact CG1-CD2 4.07Å; V836-F840 WeakPolarHBondContact O-CA 3.36Å; V836-F840 PolarHBondContact O-N 3.36Å; V836-F843 HydrophobicContact CG1-CB 4.11Å |
| 837 | I | 89.6 | Confident | 94.9 | Very high | 102 Ų | 102 | 45.8 Ų | 45.8 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -53.7 | -41.3 | -171.8 | -66.4 | 176.8 | 0 | 0 | 0 | 113 | P833 D839 | P833-I837 WeakPolarHBondContact O-CG1 3.47Å; I837-D839 PolarHBondContact O-N 2.96Å |
| 838 | Q | 90.3 | Very high | 94.8 | Very high | 143 Ų | 143 | 48 Ų | 48 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -69.3 | -24.3 | -178.5 | -66.8 | -174.3 | -7.7 | 0 | 0 | 113.1 | V836 | V836-Q838 VanDerWaalsContact C-N 3.27Å; V836-Q838 PolarHBondContact O-N 3.28Å; V836-Q838 VanDerWaalsContact O-N 3.1Å |
| 839 | D | 93.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -124 | 21.2 | -170.4 | -64.9 | -39.5 | 0 | 0 | 0 | 112.4 | I802 R803 V836 I837 I841 F842 | I802-D839 HydrophobicContact CG2-CB 3.99Å; R803-D839 HydrophobicContact CG-CB 4Å; R803-D839 WeakPolarHBondContact CG-OD2 3.29Å; R803-D839 IonicContact CZ-OD1 2.8Å; R803-D839 IonicContact CZ-OD2 2.7Å; R803-D839 IonicContact NE-OD1 2.7Å; R803-D839 PolarHBondContact NE-OD1 2.68Å; R803-D839 IonicContact NE-OD2 3.77Å; R803-D839 PolarHBondContact NE-OD2 2.96Å; R803-D839 IonicContact NH2-OD1 2.86Å; R803-D839 PolarHBondContact NH2-OD1 3.19Å; R803-D839 IonicContact NH2-OD2 2.99Å; V836-D839 CarbonylContact O-C 3.37Å; V836-D839 PolarHBondContact O-N 3.32Å; I837-D839 PolarHBondContact O-N 2.96Å; D839-I841 PolarHBondContact O-N 3.5Å; D839-F842 HydrophobicContact CB-CD2 4.02Å; D839-F842 WeakPolarHBondContact O-CB 3.25Å; D839-F842 PolarHBondContact O-N 3.16Å |
| 840 | F | 94.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -28 | -173.3 | -168.3 | -105.5 | 0 | 0 | 0 | 113.2 | V836 F842 F843 C844 V864 L865 W868 | V836-F840 HydrophobicContact CG1-CD2 4.07Å; V836-F840 WeakPolarHBondContact O-CA 3.36Å; V836-F840 PolarHBondContact O-N 3.36Å; F840-F842 VanDerWaalsContact C-N 3.27Å; F840-F842 PolarHBondContact O-N 3.32Å; F840-F843 HydrophobicContact CD2-CD1 4.46Å; F840-F843 AromaticContact CE2-CD1 3.97Å; F840-F843 HydrophobicContact CE2-CD1 3.97Å; F840-F843 HydrophobicContact CZ-CD1 4.4Å; F840-F843 WeakPolarHBondContact O-CB 3.42Å; F840-F843 PolarHBondContact O-N 2.88Å; F840-F843 VanDerWaalsContact O-N 3.17Å; F840-C844 VanDerWaalsContact CD1-SG 3.6Å; F840-C844 WeakPolarHBondContact CE1-SG 3.37Å; F840-C844 PolarHBondContact O-N 3.41Å; F840-C844 PolarHBondContact O-SG 3.19Å; F840-C844 VanDerWaalsContact O-SG 3.41Å; F840-V864 HydrophobicContact CE2-CG1 4.04Å; F840-L865 HydrophobicContact CE1-CD2 4.22Å; F840-L865 HydrophobicContact CZ-CD2 3.94Å; F840-W868 HydrophobicContact CD1-CB 4.4Å; F840-W868 AromaticContact CD1-CD1 3.73Å; F840-W868 AromaticContact CD1-CD2 3.45Å; F840-W868 HydrophobicContact CD1-CD2 3.45Å; F840-W868 VanDerWaalsContact CD1-CD2 3.45Å; F840-W868 AromaticContact CD1-CE2 3.48Å; F840-W868 VanDerWaalsContact CD1-CE2 3.48Å; F840-W868 AromaticContact CD1-CE3 3.99Å; F840-W868 HydrophobicContact CD1-CE3 3.99Å; F840-W868 AromaticContact CD1-CG 3.64Å; F840-W868 HydrophobicContact CD1-CG 3.64Å; F840-W868 HydrophobicContact CD1-CZ2 4.04Å; F840-W868 HydrophobicContact CD1-CZ3 4.48Å; F840-W868 AromaticContact CD1-NE1 3.62Å; F840-W868 AromaticContact CD2-CD1 3.96Å; F840-W868 HydrophobicContact CD2-CG 4.33Å; F840-W868 HydrophobicContact CE1-CB 3.7Å; F840-W868 AromaticContact CE1-CD1 3.91Å; F840-W868 AromaticContact CE1-CD2 3.41Å; F840-W868 HydrophobicContact CE1-CD2 3.41Å; F840-W868 VanDerWaalsContact CE1-CD2 3.41Å; F840-W868 AromaticContact CE1-CE2 3.97Å; F840-W868 AromaticContact CE1-CE3 3.74Å; F840-W868 HydrophobicContact CE1-CE3 3.74Å; F840-W868 AromaticContact CE1-CG 3.39Å; F840-W868 HydrophobicContact CE1-CG 3.39Å; F840-W868 HydrophobicContact CE2-CB 4.11Å; F840-W868 HydrophobicContact CE2-CG 4.14Å; F840-W868 AromaticContact CG-CD1 3.75Å; F840-W868 HydrophobicContact CG-CD2 4.25Å; F840-W868 HydrophobicContact CG-CG 4.1Å; F840-W868 AromaticContact CG-NE1 3.68Å; F840-W868 HydrophobicContact CZ-CB 3.53Å; F840-W868 HydrophobicContact CZ-CD2 4.19Å; F840-W868 AromaticContact CZ-CG 3.67Å; F840-W868 HydrophobicContact CZ-CG 3.67Å |
| 841 | I | 95.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 52 Ų | 52 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59 | -37.6 | 175.7 | -170.1 | 61.3 | 0 | 0 | 0 | 112.6 | D839 C844 D845 | D839-I841 PolarHBondContact O-N 3.5Å; I841-C844 WeakPolarHBondContact O-CB 3.39Å; I841-C844 PolarHBondContact O-N 3.2Å; I841-D845 PolarHBondContact O-N 3.1Å |
| 842 | F | 96.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 56 Ų | 56 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 177.7 | -69.5 | -87.4 | 0 | 0 | 0 | 111 | R803 C806 D839 F840 D845 A846 | R803-F842 HydrophobicContact CG-CD2 4.08Å; R803-F842 HydrophobicContact CG-CE2 4.03Å; R803-F842 HydrophobicContact CG-CZ 4.46Å; C806-F842 HydrophobicContact CB-CB 3.73Å; C806-F842 WeakPolarHBondContact CB-O 3.46Å; D839-F842 HydrophobicContact CB-CD2 4.02Å; D839-F842 WeakPolarHBondContact O-CB 3.25Å; D839-F842 PolarHBondContact O-N 3.16Å; F840-F842 VanDerWaalsContact C-N 3.27Å; F840-F842 PolarHBondContact O-N 3.32Å; F842-D845 PolarHBondContact O-N 3.25Å; F842-A846 WeakPolarHBondContact O-CB 3.41Å; F842-A846 PolarHBondContact O-N 3.13Å |
| 843 | F | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 174.2 | 179.2 | -102.5 | 0 | 0 | 0 | 111.8 | I825 I829 V836 F840 D845 A846 V847 F861 V864 | I825-F843 HydrophobicContact CG2-CD2 4.41Å; I825-F843 HydrophobicContact CG2-CE2 3.78Å; I829-F843 HydrophobicContact CD1-CD2 3.87Å; I829-F843 HydrophobicContact CD1-CE1 4.46Å; I829-F843 HydrophobicContact CD1-CE2 3.71Å; I829-F843 HydrophobicContact CD1-CG 4.32Å; I829-F843 HydrophobicContact CD1-CZ 4.02Å; V836-F843 HydrophobicContact CG1-CB 4.11Å; F840-F843 HydrophobicContact CD2-CD1 4.46Å; F840-F843 AromaticContact CE2-CD1 3.97Å; F840-F843 HydrophobicContact CE2-CD1 3.97Å; F840-F843 HydrophobicContact CZ-CD1 4.4Å; F840-F843 WeakPolarHBondContact O-CB 3.42Å; F840-F843 PolarHBondContact O-N 2.88Å; F840-F843 VanDerWaalsContact O-N 3.17Å; F843-D845 PolarHBondContact O-N 2.95Å; F843-A846 PolarHBondContact O-N 3.07Å; F843-V847 HydrophobicContact CD1-CG2 4.22Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.7Å; F843-V847 HydrophobicContact CE2-CG2 3.75Å; F843-V847 HydrophobicContact CG-CG2 4.48Å; F843-V847 HydrophobicContact CZ-CG2 3.45Å; F843-V847 VanDerWaalsContact CZ-CG2 3.45Å; F843-V847 WeakPolarHBondContact O-CB 3.45Å; F843-V847 WeakPolarHBondContact O-CG2 3.44Å; F843-V847 PolarHBondContact O-N 2.95Å; F843-F861 HydrophobicContact CZ-CD1 4.42Å; F843-V864 HydrophobicContact CD1-CG1 4.12Å; F843-V864 HydrophobicContact CE1-CB 4.06Å; F843-V864 HydrophobicContact CE1-CG1 3.43Å; F843-V864 VanDerWaalsContact CE1-CG1 3.43Å; F843-V864 HydrophobicContact CZ-CB 4.35Å; F843-V864 HydrophobicContact CZ-CG1 3.97Å |
| 844 | C | 96.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.5 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | F840 I841 V847 A848 | F840-C844 VanDerWaalsContact CD1-SG 3.6Å; F840-C844 WeakPolarHBondContact CE1-SG 3.37Å; F840-C844 PolarHBondContact O-N 3.41Å; F840-C844 PolarHBondContact O-SG 3.19Å; F840-C844 VanDerWaalsContact O-SG 3.41Å; I841-C844 WeakPolarHBondContact O-CB 3.39Å; I841-C844 PolarHBondContact O-N 3.2Å; C844-V847 PolarHBondContact O-N 3.39Å; C844-A848 WeakPolarHBondContact O-CB 3.42Å; C844-A848 PolarHBondContact O-N 2.97Å |
| 845 | D | 95.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 59.5 Ų | 59.5 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 177.2 | -169.6 | 37 | 0 | 0 | 0 | 111.3 | R810 I841 F842 F843 V847 A848 S849 | R810-D845 VanDerWaalsContact CD-OD2 3.22Å; R810-D845 WeakPolarHBondContact CD-OD2 3.32Å; R810-D845 IonicContact CZ-OD2 2.8Å; R810-D845 IonicContact NE-OD2 3.34Å; R810-D845 IonicContact NH1-OD2 3.31Å; R810-D845 PolarHBondContact NH1-OD2 2.89Å; I841-D845 PolarHBondContact O-N 3.1Å; F842-D845 PolarHBondContact O-N 3.25Å; F843-D845 PolarHBondContact O-N 2.95Å; D845-V847 VanDerWaalsContact C-N 3.33Å; D845-V847 PolarHBondContact O-N 3.25Å; D845-A848 WeakPolarHBondContact O-CB 3.35Å; D845-A848 PolarHBondContact O-N 3.06Å; D845-S849 PolarHBondContact O-N 3.41Å; D845-S849 VanDerWaalsContact O-N 3.09Å |
| 846 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C806 F822 F842 F843 S849 | C806-A846 HydrophobicContact CB-CB 3.88Å; F822-A846 HydrophobicContact CE1-CB 3.99Å; F822-A846 WeakPolarHBondContact CE1-O 3.26Å; F822-A846 HydrophobicContact CZ-CB 3.9Å; F822-A846 WeakPolarHBondContact CZ-O 3.4Å; F842-A846 WeakPolarHBondContact O-CB 3.41Å; F842-A846 PolarHBondContact O-N 3.13Å; F843-A846 PolarHBondContact O-N 3.07Å; A846-S849 PolarHBondContact O-OG 3.39Å |
| 847 | V | 96.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.4 | -35.1 | 172.9 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | F822 F843 C844 D845 S849 W850 F861 L865 | F822-V847 HydrophobicContact CE1-CG2 4.41Å; F843-V847 HydrophobicContact CD1-CG2 4.22Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.7Å; F843-V847 HydrophobicContact CE2-CG2 3.75Å; F843-V847 HydrophobicContact CG-CG2 4.48Å; F843-V847 HydrophobicContact CZ-CG2 3.45Å; F843-V847 VanDerWaalsContact CZ-CG2 3.45Å; F843-V847 WeakPolarHBondContact O-CB 3.45Å; F843-V847 WeakPolarHBondContact O-CG2 3.44Å; F843-V847 PolarHBondContact O-N 2.95Å; C844-V847 PolarHBondContact O-N 3.39Å; D845-V847 VanDerWaalsContact C-N 3.33Å; D845-V847 PolarHBondContact O-N 3.25Å; V847-S849 PolarHBondContact O-N 3.31Å; V847-W850 WeakPolarHBondContact O-CB 3.35Å; V847-W850 PolarHBondContact O-N 3.22Å; V847-F861 HydrophobicContact CG1-CB 3.97Å; V847-F861 HydrophobicContact CG1-CD1 4.29Å; V847-F861 HydrophobicContact CG1-CD2 3.67Å; V847-F861 HydrophobicContact CG1-CE2 4.15Å; V847-F861 HydrophobicContact CG1-CG 3.73Å; V847-F861 HydrophobicContact CG2-CD1 3.79Å; V847-F861 HydrophobicContact CG2-CE1 3.93Å; V847-F861 HydrophobicContact CG2-CG 4.1Å; V847-F861 HydrophobicContact CG2-CZ 4.32Å; V847-L865 HydrophobicContact CG1-CD1 4.37Å |
| 848 | A | 95.4 | Very high | 94.8 | Very high | 78 Ų | 78 | 65 Ų | 65 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.4 | -20.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C844 D845 W850 | C844-A848 WeakPolarHBondContact O-CB 3.42Å; C844-A848 PolarHBondContact O-N 2.97Å; D845-A848 WeakPolarHBondContact O-CB 3.35Å; D845-A848 PolarHBondContact O-N 3.06Å; A848-W850 PolarHBondContact O-N 3.09Å |
| 849 | S | 94.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.4 | 175.3 | 87.2 | 0 | 0 | 0 | 0 | 114.2 | R810 K818 D845 A846 V847 | R810-S849 WeakPolarHBondContact CA-OG 3.19Å; R810-S849 WeakPolarHBondContact O-CB 3.35Å; R810-S849 PolarHBondContact O-OG 2.81Å; K818-S849 PolarHBondContact NZ-OG 3.46Å; D845-S849 PolarHBondContact O-N 3.41Å; D845-S849 VanDerWaalsContact O-N 3.09Å; A846-S849 PolarHBondContact O-OG 3.39Å; V847-S849 PolarHBondContact O-N 3.31Å |
| 850 | W | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | trans | -75.6 | 123.3 | 172.6 | -79.2 | 85.6 | 0 | 0 | 0 | 111.1 | D814 K818 D819 F822 V847 A848 P853 L857 F861 | D814-W850 HydrophobicContact CB-CE3 4.01Å; D814-W850 HydrophobicContact CB-CZ3 3.89Å; K818-W850 HydrophobicContact CB-CH2 3.99Å; K818-W850 HydrophobicContact CB-CZ2 3.89Å; K818-W850 HydrophobicContact CD-CD2 4.36Å; K818-W850 HydrophobicContact CD-CH2 4.06Å; K818-W850 HydrophobicContact CD-CZ2 3.7Å; K818-W850 HydrophobicContact CG-CH2 3.99Å; K818-W850 HydrophobicContact CG-CZ2 3.44Å; K818-W850 VanDerWaalsContact CG-CZ2 3.44Å; D819-W850 HydrophobicContact CB-CH2 3.86Å; F822-W850 HydrophobicContact CB-CZ2 4.21Å; F822-W850 AromaticContact CD1-NE1 3.53Å; F822-W850 AromaticContact CD2-CZ2 3.89Å; F822-W850 HydrophobicContact CD2-CZ2 3.89Å; F822-W850 AromaticContact CD2-NE1 3.52Å; F822-W850 AromaticContact CE1-NE1 3.5Å; F822-W850 HydrophobicContact CE2-CZ2 4.45Å; F822-W850 AromaticContact CE2-NE1 3.48Å; F822-W850 HydrophobicContact CG-CZ2 4.11Å; F822-W850 AromaticContact CG-NE1 3.52Å; F822-W850 AromaticContact CZ-NE1 3.45Å; V847-W850 WeakPolarHBondContact O-CB 3.35Å; V847-W850 PolarHBondContact O-N 3.22Å; A848-W850 PolarHBondContact O-N 3.09Å; W850-P853 HydrophobicContact CB-CB 4.25Å; W850-P853 HydrophobicContact CB-CG 4.15Å; W850-P853 HydrophobicContact CD2-CB 4.07Å; W850-P853 HydrophobicContact CE3-CB 3.72Å; W850-P853 HydrophobicContact CG-CB 4.34Å; W850-P853 HydrophobicContact CZ3-CB 4.4Å; W850-L857 HydrophobicContact CH2-CD2 3.94Å; W850-L857 HydrophobicContact CZ2-CD2 3.74Å; W850-L857 HydrophobicContact CZ3-CD2 4.46Å; W850-F861 AromaticContact CD1-CE2 3.9Å; W850-F861 AromaticContact CD1-CZ 3.9Å; W850-F861 HydrophobicContact CD2-CE2 4.43Å; W850-F861 HydrophobicContact CG-CE2 4.04Å; W850-F861 HydrophobicContact CG-CZ 4.39Å; W850-F861 AromaticContact NE1-CZ 3.73Å | ||
| 851 | I | 92.7 | Very high | 95.4 | Very high | 121 Ų | 121 | 64.4 Ų | 64.4 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -85.5 | -50.5 | 176.5 | -54.9 | 175.9 | 0 | 0 | 0 | 109.2 | D814 | D814-I851 PolarHBondContact OD2-N 3.21Š|
| 852 | N | 91.2 | Very high | 95.4 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -135.7 | 65.9 | -174 | -67.3 | -51.1 | 0 | 0 | 0 | 112.5 | D814 | D814-N852 PolarHBondContact OD2-N 2.84Å; D814-N852 VanDerWaalsContact OD2-N 3.14Å |
| 853 | P | 93.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 20% | 0.195 | 34% | 0.339 | C | S | . | . | trans | -68.1 | 145 | 177.8 | 29.4 | -32.7 | 0 | 0 | 0 | 111.2 | W850 R858 F861 | W850-P853 HydrophobicContact CB-CB 4.25Å; W850-P853 HydrophobicContact CB-CG 4.15Å; W850-P853 HydrophobicContact CD2-CB 4.07Å; W850-P853 HydrophobicContact CE3-CB 3.72Å; W850-P853 HydrophobicContact CG-CB 4.34Å; W850-P853 HydrophobicContact CZ3-CB 4.4Å; P853-R858 HydrophobicContact CG-CB 4.33Å; P853-F861 HydrophobicContact CB-CE2 4.08Å | ||
| 854 | K | 94.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 65.1 Ų | 65.1 | 47% | 0.47 | 34% | 0.343 | S | S | . | . | trans | -57.2 | 145.7 | 172.2 | -66.9 | 174.9 | -176.2 | 165.1 | 0 | 110.4 | D819 D856 L857 R858 | D819-K854 IonicContact OD2-NZ 3.67Å; K854-D856 VanDerWaalsContact CB-OD1 3.31Å; K854-D856 WeakPolarHBondContact CB-OD1 3.2Å; K854-D856 PolarHBondContact O-N 3.4Å; K854-D856 VanDerWaalsContact O-N 3.16Å; K854-L857 PolarHBondContact O-N 3.09Å; K854-L857 VanDerWaalsContact O-N 3.08Å; K854-R858 PolarHBondContact O-N 3.12Å | ||
| 855 | D | 95.2 | Very high | 94.9 | Very high | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.6 | -37.7 | -172.4 | -75.3 | -33.6 | 0 | 0 | 0 | 113.4 | R858 D859 | D855-R858 WeakPolarHBondContact O-CB 3.41Å; D855-R858 PolarHBondContact O-N 3.18Å; D855-D859 PolarHBondContact O-N 3.21Å |
| 856 | D | 95 | Very high | 94.6 | Very high | 82 Ų | 82 | 68.9 Ų | 68.9 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 179.6 | 63.5 | -24.6 | 0 | 0 | 0 | 112.8 | R823 K854 D859 M860 | R823-D856 IonicContact CZ-OD1 2.81Å; R823-D856 IonicContact CZ-OD2 3.9Å; R823-D856 VanDerWaalsContact CZ-OD2 3.29Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 2.66Å; R823-D856 IonicContact NH1-OD2 3.46Å; R823-D856 PolarHBondContact NH1-OD2 2.86Å; R823-D856 VanDerWaalsContact NH2-CG 3.3Å; R823-D856 IonicContact NH2-OD1 3.34Å; R823-D856 PolarHBondContact NH2-OD1 3.13Å; R823-D856 IonicContact NH2-OD2 3.26Å; R823-D856 PolarHBondContact NH2-OD2 3.2Å; R823-D856 VanDerWaalsContact NH2-OD2 3.12Å; K854-D856 VanDerWaalsContact CB-OD1 3.31Å; K854-D856 WeakPolarHBondContact CB-OD1 3.2Å; K854-D856 PolarHBondContact O-N 3.4Å; K854-D856 VanDerWaalsContact O-N 3.16Å; D856-D859 PolarHBondContact O-N 3.28Å; D856-M860 WeakPolarHBondContact O-CG 3.42Å; D856-M860 PolarHBondContact O-N 3.2Å |
| 857 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 171.7 | -179.9 | 58.2 | 0 | 0 | 0 | 111 | D819 F822 R823 W850 K854 D859 M860 F861 | D819-L857 WeakPolarHBondContact OD1-CD2 3.45Å; F822-L857 HydrophobicContact CB-CD1 4.16Å; F822-L857 HydrophobicContact CB-CD2 4.2Å; R823-L857 HydrophobicContact CG-CD1 4Å; W850-L857 HydrophobicContact CH2-CD2 3.94Å; W850-L857 HydrophobicContact CZ2-CD2 3.74Å; W850-L857 HydrophobicContact CZ3-CD2 4.46Å; K854-L857 PolarHBondContact O-N 3.09Å; K854-L857 VanDerWaalsContact O-N 3.08Å; L857-D859 VanDerWaalsContact C-N 3.27Å; L857-D859 PolarHBondContact O-N 2.99Å; L857-M860 HydrophobicContact CD1-SD 4.45Å; L857-M860 WeakPolarHBondContact O-CA 3.48Å; L857-M860 WeakPolarHBondContact O-CB 3.39Å; L857-M860 PolarHBondContact O-N 3.39Å; L857-F861 HydrophobicContact CD1-CD1 4.26Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.43Å; L857-F861 HydrophobicContact CD1-CZ 3.72Å; L857-F861 HydrophobicContact CD2-CE1 4.47Å; L857-F861 HydrophobicContact CD2-CE2 4.15Å; L857-F861 HydrophobicContact CD2-CZ 3.74Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 3.92Å; L857-F861 HydrophobicContact CG-CE2 3.82Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.14Å; L857-F861 PolarHBondContact O-N 3.23Å |
| 858 | R | 95.9 | Very high | 92.7 | Very high | 143 Ų | 143 | 78.4 Ų | 78.4 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | 174.5 | -175.8 | -176.4 | 179.4 | 180 | 4.1 | 111.9 | P853 K854 D855 M860 F861 C862 | P853-R858 HydrophobicContact CG-CB 4.33Å; K854-R858 PolarHBondContact O-N 3.12Å; D855-R858 WeakPolarHBondContact O-CB 3.41Å; D855-R858 PolarHBondContact O-N 3.18Å; R858-M860 VanDerWaalsContact C-N 3.34Å; R858-F861 WeakPolarHBondContact O-CB 3.47Å; R858-F861 PolarHBondContact O-N 2.81Å; R858-C862 PolarHBondContact O-N 2.94Å; R858-C862 PolarHBondContact O-SG 3.01Å |
| 859 | D | 96.3 | Very high | 90.9 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.6 | -82.9 | -11.5 | 0 | 0 | 0 | 112.2 | D855 D856 L857 C862 K863 | D855-D859 PolarHBondContact O-N 3.21Å; D856-D859 PolarHBondContact O-N 3.28Å; L857-D859 VanDerWaalsContact C-N 3.27Å; L857-D859 PolarHBondContact O-N 2.99Å; D859-C862 PolarHBondContact O-N 3.01Å; D859-K863 WeakPolarHBondContact O-CG 3.32Å; D859-K863 PolarHBondContact O-N 3.43Å |
| 860 | M | 97.2 | Very high | 88.5 | Confident | 47 Ų | 47 | 93.7 Ų | 93.7 | 23% | 0.232 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 172.8 | -63.9 | 179.4 | 84.2 | 0 | 0 | 111.1 | C826 D856 L857 R858 C862 K863 V864 | C826-M860 HydrophobicContact CB-CB 4.04Å; C826-M860 HydrophobicContact CB-CE 3.53Å; C826-M860 HydrophobicContact CB-SD 4.32Å; D856-M860 WeakPolarHBondContact O-CG 3.42Å; D856-M860 PolarHBondContact O-N 3.2Å; L857-M860 HydrophobicContact CD1-SD 4.45Å; L857-M860 WeakPolarHBondContact O-CA 3.48Å; L857-M860 WeakPolarHBondContact O-CB 3.39Å; L857-M860 PolarHBondContact O-N 3.39Å; R858-M860 VanDerWaalsContact C-N 3.34Å; M860-C862 VanDerWaalsContact C-N 3.33Å; M860-C862 PolarHBondContact O-N 3.09Å; M860-K863 PolarHBondContact O-N 2.74Å; M860-V864 WeakPolarHBondContact O-CG2 3.42Å; M860-V864 PolarHBondContact O-N 3.03Å |
| 861 | F | 97.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 97.1 Ų | 97.1 | 4% | 0.035 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57 | -47.1 | 174.4 | -63.6 | -22.3 | 0 | 0 | 0 | 111.5 | F822 F843 V847 W850 P853 L857 R858 K863 V864 L865 | F822-F861 HydrophobicContact CB-CE1 4.15Å; F822-F861 HydrophobicContact CB-CZ 4.09Å; F822-F861 AromaticContact CD1-CE1 3.7Å; F822-F861 HydrophobicContact CD1-CE1 3.7Å; F822-F861 AromaticContact CD1-CZ 3.67Å; F822-F861 HydrophobicContact CD1-CZ 3.67Å; F822-F861 HydrophobicContact CE1-CZ 4.43Å; F822-F861 HydrophobicContact CG-CE1 4.35Å; F822-F861 HydrophobicContact CG-CZ 4.16Å; F843-F861 HydrophobicContact CZ-CD1 4.42Å; V847-F861 HydrophobicContact CG1-CB 3.97Å; V847-F861 HydrophobicContact CG1-CD1 4.29Å; V847-F861 HydrophobicContact CG1-CD2 3.67Å; V847-F861 HydrophobicContact CG1-CE2 4.15Å; V847-F861 HydrophobicContact CG1-CG 3.73Å; V847-F861 HydrophobicContact CG2-CD1 3.79Å; V847-F861 HydrophobicContact CG2-CE1 3.93Å; V847-F861 HydrophobicContact CG2-CG 4.1Å; V847-F861 HydrophobicContact CG2-CZ 4.32Å; W850-F861 AromaticContact CD1-CE2 3.9Å; W850-F861 AromaticContact CD1-CZ 3.9Å; W850-F861 HydrophobicContact CD2-CE2 4.43Å; W850-F861 HydrophobicContact CG-CE2 4.04Å; W850-F861 HydrophobicContact CG-CZ 4.39Å; W850-F861 AromaticContact NE1-CZ 3.73Å; P853-F861 HydrophobicContact CB-CE2 4.08Å; L857-F861 HydrophobicContact CD1-CD1 4.26Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.43Å; L857-F861 HydrophobicContact CD1-CZ 3.72Å; L857-F861 HydrophobicContact CD2-CE1 4.47Å; L857-F861 HydrophobicContact CD2-CE2 4.15Å; L857-F861 HydrophobicContact CD2-CZ 3.74Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 3.92Å; L857-F861 HydrophobicContact CG-CE2 3.82Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.14Å; L857-F861 PolarHBondContact O-N 3.23Å; R858-F861 WeakPolarHBondContact O-CB 3.47Å; R858-F861 PolarHBondContact O-N 2.81Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.87Å; F861-V864 PolarHBondContact O-N 3.1Å; F861-L865 WeakPolarHBondContact O-CB 3.22Å; F861-L865 VanDerWaalsContact O-CG 3.25Å; F861-L865 WeakPolarHBondContact O-CG 3.4Å; F861-L865 PolarHBondContact O-N 3.3Å |
| 862 | C | 94.1 | Very high | 87.9 | Confident | 49 Ų | 49 | 95.8 Ų | 95.8 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.2 | -69.2 | 0 | 0 | 0 | 0 | 112 | R858 D859 M860 L865 Q866 | R858-C862 PolarHBondContact O-N 2.94Å; R858-C862 PolarHBondContact O-SG 3.01Å; D859-C862 PolarHBondContact O-N 3.01Å; M860-C862 VanDerWaalsContact C-N 3.33Å; M860-C862 PolarHBondContact O-N 3.09Å; C862-L865 PolarHBondContact O-N 3.15Å; C862-Q866 VanDerWaalsContact O-CB 3.24Å; C862-Q866 WeakPolarHBondContact O-CB 3.34Å; C862-Q866 WeakPolarHBondContact O-CG 3.3Å; C862-Q866 PolarHBondContact O-N 3.36Å |
| 863 | K | 93.8 | Very high | 87.8 | Confident | 144 Ų | 144 | 93.6 Ų | 93.6 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 178.3 | -74.3 | 168.9 | -176.6 | 166.4 | 0 | 112 | D859 M860 F861 S867 | D859-K863 WeakPolarHBondContact O-CG 3.32Å; D859-K863 PolarHBondContact O-N 3.43Å; M860-K863 PolarHBondContact O-N 2.74Å; F861-K863 VanDerWaalsContact C-N 3.33Å; F861-K863 PolarHBondContact O-N 2.87Å; K863-S867 WeakPolarHBondContact O-CB 3.31Å; K863-S867 PolarHBondContact O-N 3.13Å; K863-S867 PolarHBondContact O-OG 2.88Å |
| 864 | V | 93.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 97.4 Ų | 97.4 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 179 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | I829 F840 F843 M860 F861 Q866 S867 W868 | I829-V864 HydrophobicContact CD1-CG1 4.32Å; I829-V864 HydrophobicContact CG2-CG1 3.87Å; I829-V864 HydrophobicContact CG2-CG2 4.12Å; F840-V864 HydrophobicContact CE2-CG1 4.04Å; F843-V864 HydrophobicContact CD1-CG1 4.12Å; F843-V864 HydrophobicContact CE1-CB 4.06Å; F843-V864 HydrophobicContact CE1-CG1 3.43Å; F843-V864 VanDerWaalsContact CE1-CG1 3.43Å; F843-V864 HydrophobicContact CZ-CB 4.35Å; F843-V864 HydrophobicContact CZ-CG1 3.97Å; M860-V864 WeakPolarHBondContact O-CG2 3.42Å; M860-V864 PolarHBondContact O-N 3.03Å; F861-V864 PolarHBondContact O-N 3.1Å; V864-Q866 PolarHBondContact O-N 2.97Å; V864-S867 PolarHBondContact O-N 3.35Å; V864-S867 PolarHBondContact O-OG 3.37Å; V864-W868 PolarHBondContact O-N 3.38Å |
| 865 | L | 92.3 | Very high | 86.9 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | -179.8 | -68 | 170.9 | 0 | 0 | 0 | 113.1 | F840 V847 F861 C862 W868 | F840-L865 HydrophobicContact CE1-CD2 4.22Å; F840-L865 HydrophobicContact CZ-CD2 3.94Å; V847-L865 HydrophobicContact CG1-CD1 4.37Å; F861-L865 WeakPolarHBondContact O-CB 3.22Å; F861-L865 VanDerWaalsContact O-CG 3.25Å; F861-L865 WeakPolarHBondContact O-CG 3.4Å; F861-L865 PolarHBondContact O-N 3.3Å; C862-L865 PolarHBondContact O-N 3.15Å; L865-W868 PolarHBondContact O-N 3.29Å |
| 866 | Q | 88.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.7 | -35.8 | 176.8 | -74.3 | 174.8 | 5.4 | 0 | 0 | 112.2 | C862 V864 W868 R869 | C862-Q866 VanDerWaalsContact O-CB 3.24Å; C862-Q866 WeakPolarHBondContact O-CB 3.34Å; C862-Q866 WeakPolarHBondContact O-CG 3.3Å; C862-Q866 PolarHBondContact O-N 3.36Å; V864-Q866 PolarHBondContact O-N 2.97Å; Q866-W868 PolarHBondContact O-N 2.81Å; Q866-R869 PolarHBondContact O-N 2.87Å; Q866-R869 VanDerWaalsContact O-N 3.14Å |
| 867 | S | 79.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 95.8 Ų | 95.8 | 54% | 0.538 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -20.2 | 178.5 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | K863 V864 | K863-S867 WeakPolarHBondContact O-CB 3.31Å; K863-S867 PolarHBondContact O-N 3.13Å; K863-S867 PolarHBondContact O-OG 2.88Å; V864-S867 PolarHBondContact O-N 3.35Å; V864-S867 PolarHBondContact O-OG 3.37Å |
| 868 | W | 72.9 | Confident | 84.9 | Confident | 142 Ų | 142 | 103.2 Ų | 103.2 | 54% | 0.538 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -16.4 | 175.8 | -168.9 | 82.8 | 0 | 0 | 0 | 114.1 | F840 V864 L865 Q866 L870 | F840-W868 HydrophobicContact CD1-CB 4.4Å; F840-W868 AromaticContact CD1-CD1 3.73Å; F840-W868 AromaticContact CD1-CD2 3.45Å; F840-W868 HydrophobicContact CD1-CD2 3.45Å; F840-W868 VanDerWaalsContact CD1-CD2 3.45Å; F840-W868 AromaticContact CD1-CE2 3.48Å; F840-W868 VanDerWaalsContact CD1-CE2 3.48Å; F840-W868 AromaticContact CD1-CE3 3.99Å; F840-W868 HydrophobicContact CD1-CE3 3.99Å; F840-W868 AromaticContact CD1-CG 3.64Å; F840-W868 HydrophobicContact CD1-CG 3.64Å; F840-W868 HydrophobicContact CD1-CZ2 4.04Å; F840-W868 HydrophobicContact CD1-CZ3 4.48Å; F840-W868 AromaticContact CD1-NE1 3.62Å; F840-W868 AromaticContact CD2-CD1 3.96Å; F840-W868 HydrophobicContact CD2-CG 4.33Å; F840-W868 HydrophobicContact CE1-CB 3.7Å; F840-W868 AromaticContact CE1-CD1 3.91Å; F840-W868 AromaticContact CE1-CD2 3.41Å; F840-W868 HydrophobicContact CE1-CD2 3.41Å; F840-W868 VanDerWaalsContact CE1-CD2 3.41Å; F840-W868 AromaticContact CE1-CE2 3.97Å; F840-W868 AromaticContact CE1-CE3 3.74Å; F840-W868 HydrophobicContact CE1-CE3 3.74Å; F840-W868 AromaticContact CE1-CG 3.39Å; F840-W868 HydrophobicContact CE1-CG 3.39Å; F840-W868 HydrophobicContact CE2-CB 4.11Å; F840-W868 HydrophobicContact CE2-CG 4.14Å; F840-W868 AromaticContact CG-CD1 3.75Å; F840-W868 HydrophobicContact CG-CD2 4.25Å; F840-W868 HydrophobicContact CG-CG 4.1Å; F840-W868 AromaticContact CG-NE1 3.68Å; F840-W868 HydrophobicContact CZ-CB 3.53Å; F840-W868 HydrophobicContact CZ-CD2 4.19Å; F840-W868 AromaticContact CZ-CG 3.67Å; F840-W868 HydrophobicContact CZ-CG 3.67Å; V864-W868 PolarHBondContact O-N 3.38Å; L865-W868 PolarHBondContact O-N 3.29Å; Q866-W868 PolarHBondContact O-N 2.81Å; W868-L870 PolarHBondContact O-N 3.42Å |
| 869 | R | 58.8 | Low | 84 | Confident | 222 Ų | 222 | 99.8 Ų | 99.8 | 84% | 0.838 | 48% | 0.479 | S | S | * | . | trans | -75.3 | -5.5 | 177 | -81.3 | -172.9 | 174.7 | -179.1 | 0.1 | 113.6 | Q866 | Q866-R869 PolarHBondContact O-N 2.87Å; Q866-R869 VanDerWaalsContact O-N 3.14Å | ||
| 870 | L | 44.3 | Very low | 82.9 | Confident | 212 Ų | 212 | 100.2 Ų | 100.2 | 100% | 1.11 | 48% | 0.476 | S | S | * | . | trans | -111.1 | 0 | 176.2 | -76.2 | 164 | 0 | 0 | 0 | 109.1 | W868 | W868-L870 PolarHBondContact O-N 3.42Š|
Retrieved 870 of 870 residues in 6260.5 ms
(Link to these results)