| 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 | K | 40.4 | Very low | 81.2 | Confident | 265 Ų | 265 | 89.2 Ų | 89.2 | 100% | 1.152 | 47% | 0.468 | S | S | * | . | 0 | 107.2 | 0 | -81.2 | 177.8 | 174.1 | 177.1 | 0 | 106.9 | |||||
| 2 | G | 54 | Low | 82.3 | Confident | 67 Ų | 67 | 81.9 Ų | 81.9 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | trans | -67.3 | 137.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | N | 81.2 | Confident | 83.3 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | trans | -62.7 | 144.7 | 174.5 | -169.1 | -11.5 | 0 | 0 | 0 | 109.1 | M5 D6 F7 | N3-M5 PolarHBondContact O-N 3.13Å; N3-M5 VanDerWaalsContact O-N 3.14Å; N3-D6 HydrophobicContact CB-CB 4.29Å; N3-D6 VanDerWaalsContact CB-OD2 3.31Å; N3-D6 WeakPolarHBondContact CB-OD2 3.38Å; N3-D6 WeakPolarHBondContact O-CA 3.35Å; N3-D6 WeakPolarHBondContact O-CB 3.47Å; N3-D6 PolarHBondContact O-N 3.09Å; N3-F7 PolarHBondContact O-N 3.19Å; N3-F7 VanDerWaalsContact O-N 3.16Å | ||
| 4 | M | 84.8 | Confident | 84 | Confident | 142 Ų | 142 | 77.9 Ų | 77.9 | 70% | 0.7 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.5 | -36.5 | 180 | -173.7 | 174.8 | 88.3 | 0 | 0 | 111.5 | F7 I8 | M4-F7 PolarHBondContact O-N 3.03Å; M4-I8 HydrophobicContact CE-CD1 4.5Å; M4-I8 HydrophobicContact CG-CD1 4.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.39Å; M4-I8 PolarHBondContact O-N 3.47Å; M4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | M | 86.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 78 Ų | 78 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 175.5 | -73.7 | -55.7 | -60.8 | 0 | 0 | 113.5 | N3 F7 I8 H9 | N3-M5 PolarHBondContact O-N 3.13Å; N3-M5 VanDerWaalsContact O-N 3.14Å; M5-F7 VanDerWaalsContact C-N 3.32Å; M5-F7 PolarHBondContact O-N 3.3Å; M5-I8 PolarHBondContact O-N 3.1Å; M5-I8 HydrophobicContact SD-CD1 4.08Å; M5-H9 WeakPolarHBondContact O-CB 3.36Å; M5-H9 VanDerWaalsContact O-CG 3.3Å; M5-H9 PolarHBondContact O-N 3.34Å; M5-H9 PolarHBondContact O-ND1 3.33Å |
| 6 | D | 87.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 24% | 0.235 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.3 | -68.8 | -24 | 0 | 0 | 0 | 111.1 | N3 T10 L93 | N3-D6 HydrophobicContact CB-CB 4.29Å; N3-D6 VanDerWaalsContact CB-OD2 3.31Å; N3-D6 WeakPolarHBondContact CB-OD2 3.38Å; N3-D6 WeakPolarHBondContact O-CA 3.35Å; N3-D6 WeakPolarHBondContact O-CB 3.47Å; N3-D6 PolarHBondContact O-N 3.09Å; D6-T10 VanDerWaalsContact O-CB 3.25Å; D6-T10 WeakPolarHBondContact O-CB 3.29Å; D6-T10 PolarHBondContact O-N 3.35Å; D6-T10 PolarHBondContact O-OG1 3.48Å; D6-L93 HydrophobicContact CB-CD1 3.8Å |
| 7 | F | 89.2 | Confident | 86 | Confident | 146 Ų | 146 | 71.5 Ų | 71.5 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 174.2 | 178.3 | -98.1 | 0 | 0 | 0 | 111.8 | N3 M4 M5 T10 S11 | N3-F7 PolarHBondContact O-N 3.19Å; N3-F7 VanDerWaalsContact O-N 3.16Å; M4-F7 PolarHBondContact O-N 3.03Å; M5-F7 VanDerWaalsContact C-N 3.32Å; M5-F7 PolarHBondContact O-N 3.3Å; F7-T10 PolarHBondContact O-N 3Å; F7-S11 WeakPolarHBondContact O-CB 3.49Å; F7-S11 PolarHBondContact O-N 3.15Å; F7-S11 PolarHBondContact O-OG 3.48Å |
| 8 | I | 91.8 | Very high | 86.5 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 28% | 0.277 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 177.6 | -68.9 | 166.2 | 0 | 0 | 0 | 110.8 | M4 M5 G12 H182 | M4-I8 HydrophobicContact CE-CD1 4.5Å; M4-I8 HydrophobicContact CG-CD1 4.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.39Å; M4-I8 PolarHBondContact O-N 3.47Å; M4-I8 VanDerWaalsContact O-N 3.09Å; M5-I8 PolarHBondContact O-N 3.1Å; M5-I8 HydrophobicContact SD-CD1 4.08Å; I8-G12 PolarHBondContact O-N 3.31Å; I8-H182 HydrophobicContact CG2-CB 4.45Å; I8-H182 WeakPolarHBondContact CG2-ND1 3.36Å |
| 9 | H | 92.7 | Very high | 86.9 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 178.8 | -68.5 | 158.1 | 0 | 0 | 0 | 112.1 | M5 S11 G12 V13 W87 F180 H182 | M5-H9 WeakPolarHBondContact O-CB 3.36Å; M5-H9 VanDerWaalsContact O-CG 3.3Å; M5-H9 PolarHBondContact O-N 3.34Å; M5-H9 PolarHBondContact O-ND1 3.33Å; H9-S11 PolarHBondContact O-N 3.3Å; H9-G12 CarbonylContact O-C 3.56Å; H9-G12 WeakPolarHBondContact O-CA 3.45Å; H9-G12 PolarHBondContact O-N 3.07Å; H9-G12 VanDerWaalsContact O-N 3.12Å; H9-V13 WeakPolarHBondContact O-CG2 3.47Å; H9-V13 PolarHBondContact O-N 3.06Å; H9-W87 HydrophobicContact CB-CD2 3.87Å; H9-W87 HydrophobicContact CB-CE3 3.97Å; H9-W87 HydrophobicContact CB-CH2 3.46Å; H9-W87 VanDerWaalsContact CB-CH2 3.46Å; H9-W87 HydrophobicContact CB-CZ2 3.35Å; H9-W87 HydrophobicContact CB-CZ3 3.78Å; H9-W87 AromaticContact CG-CE2 3.88Å; H9-W87 AromaticContact ND1-CD1 3.91Å; H9-W87 AromaticContact ND1-CE2 3.57Å; H9-W87 AromaticContact ND1-CZ2 3.98Å; H9-W87 AromaticContact ND1-NE1 3.35Å; H9-W87 PolarHBondContact ND1-NE1 3.5Å; H9-F180 HydrophobicContact CB-CE1 4.11Å; H9-F180 HydrophobicContact CB-CE2 4.43Å; H9-F180 HydrophobicContact CB-CZ 3.89Å; H9-F180 AromaticContact CD2-CD2 3.51Å; H9-F180 AromaticContact CD2-CE2 3.38Å; H9-F180 WeakPolarHBondContact CD2-CE2 3.49Å; H9-F180 AromaticContact CD2-CG 3.96Å; H9-F180 AromaticContact CD2-CZ 3.72Å; H9-F180 AromaticContact CG-CE2 3.91Å; H9-F180 AromaticContact CG-CZ 3.88Å; H9-F180 AromaticContact NE2-CD2 3.86Å; H9-F180 AromaticContact NE2-CE2 3.78Å; H9-F180 WeakPolarHBondContact O-CE1 3.22Å; H9-H182 AromaticContact CD2-CE1 3.76Å; H9-H182 AromaticContact NE2-CE1 3.74Å |
| 10 | T | 92.1 | Very high | 87.3 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | D6 F7 G12 V13 L14 F94 | D6-T10 VanDerWaalsContact O-CB 3.25Å; D6-T10 WeakPolarHBondContact O-CB 3.29Å; D6-T10 PolarHBondContact O-N 3.35Å; D6-T10 PolarHBondContact O-OG1 3.48Å; F7-T10 PolarHBondContact O-N 3Å; T10-G12 VanDerWaalsContact C-N 3.29Å; T10-G12 PolarHBondContact O-N 3.47Å; T10-V13 PolarHBondContact O-N 3.12Å; T10-L14 WeakPolarHBondContact O-CG 3.46Å; T10-L14 PolarHBondContact O-N 3.34Å; T10-F94 HydrophobicContact CG2-CZ 4.44Å |
| 11 | S | 93.3 | Very high | 87.6 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | F7 H9 L14 I15 | F7-S11 WeakPolarHBondContact O-CB 3.49Å; F7-S11 PolarHBondContact O-N 3.15Å; F7-S11 PolarHBondContact O-OG 3.48Å; H9-S11 PolarHBondContact O-N 3.3Å; S11-L14 PolarHBondContact O-N 3.31Å; S11-I15 WeakPolarHBondContact O-CG1 3.2Å; S11-I15 PolarHBondContact O-N 2.98Å |
| 12 | G | 94.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I8 H9 T10 I15 I16 | I8-G12 PolarHBondContact O-N 3.31Å; H9-G12 CarbonylContact O-C 3.56Å; H9-G12 WeakPolarHBondContact O-CA 3.45Å; H9-G12 PolarHBondContact O-N 3.07Å; H9-G12 VanDerWaalsContact O-N 3.12Å; T10-G12 VanDerWaalsContact C-N 3.29Å; T10-G12 PolarHBondContact O-N 3.47Å; G12-I15 PolarHBondContact O-N 3.07Å; G12-I16 VanDerWaalsContact O-CG1 3.24Å; G12-I16 WeakPolarHBondContact O-CG1 3.31Å; G12-I16 PolarHBondContact O-N 3.49Å |
| 13 | V | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | H9 T10 I15 I16 Q17 W87 V88 P100 L102 F180 | H9-V13 WeakPolarHBondContact O-CG2 3.47Å; H9-V13 PolarHBondContact O-N 3.06Å; T10-V13 PolarHBondContact O-N 3.12Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 2.89Å; V13-I16 PolarHBondContact O-N 2.93Å; V13-I16 VanDerWaalsContact O-N 3.14Å; V13-Q17 HydrophobicContact CG1-CG 4.43Å; V13-Q17 WeakPolarHBondContact O-CG 3.43Å; V13-Q17 PolarHBondContact O-N 3.33Å; V13-W87 HydrophobicContact CG2-CE3 3.86Å; V13-W87 HydrophobicContact CG2-CZ3 3.71Å; V13-V88 HydrophobicContact CB-CG1 4.47Å; V13-V88 HydrophobicContact CG1-CG1 4Å; V13-V88 HydrophobicContact CG2-CG1 3.53Å; V13-P100 HydrophobicContact CG1-CB 3.71Å; V13-P100 HydrophobicContact CG1-CG 3.68Å; V13-L102 HydrophobicContact CG1-CD2 4.22Å; V13-F180 HydrophobicContact CG2-CE1 4Å |
| 14 | L | 94.4 | Very high | 92.4 | Very high | 106 Ų | 106 | 67.8 Ų | 67.8 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | 177.1 | -67 | 173.7 | 0 | 0 | 0 | 111.9 | T10 S11 Q17 H18 | T10-L14 WeakPolarHBondContact O-CG 3.46Å; T10-L14 PolarHBondContact O-N 3.34Å; S11-L14 PolarHBondContact O-N 3.31Å; L14-Q17 PolarHBondContact O-N 3.46Å; L14-H18 WeakPolarHBondContact O-CB 3.46Å; L14-H18 PolarHBondContact O-N 2.94Å |
| 15 | I | 95.5 | Very high | 92.7 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.9 | -68.8 | 163.9 | 0 | 0 | 0 | 110.7 | S11 G12 V13 H18 L19 V174 P181 | S11-I15 WeakPolarHBondContact O-CG1 3.2Å; S11-I15 PolarHBondContact O-N 2.98Å; G12-I15 PolarHBondContact O-N 3.07Å; V13-I15 VanDerWaalsContact C-N 3.31Å; V13-I15 PolarHBondContact O-N 2.89Å; I15-H18 PolarHBondContact O-N 2.92Å; I15-L19 HydrophobicContact CG2-CD1 4.03Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 3.45Å; I15-V174 HydrophobicContact CG2-CG1 4.25Å; I15-P181 HydrophobicContact CB-CG 4.45Å; I15-P181 HydrophobicContact CD1-CG 3.95Å; I15-P181 HydrophobicContact CG2-CG 4.2Å |
| 16 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 178.7 | -63.1 | 163.2 | 0 | 0 | 0 | 110.3 | G12 V13 H18 L19 Q20 P84 L102 V174 A177 F180 | G12-I16 VanDerWaalsContact O-CG1 3.24Å; G12-I16 WeakPolarHBondContact O-CG1 3.31Å; G12-I16 PolarHBondContact O-N 3.49Å; V13-I16 PolarHBondContact O-N 2.93Å; V13-I16 VanDerWaalsContact O-N 3.14Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.21Å; I16-L19 VanDerWaalsContact O-N 3.16Å; I16-Q20 HydrophobicContact CG2-CG 4.2Å; I16-Q20 WeakPolarHBondContact O-CB 3.34Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 3.32Å; I16-P84 HydrophobicContact CD1-CB 3.39Å; I16-P84 HydrophobicContact CD1-CG 3.44Å; I16-P84 VanDerWaalsContact CD1-CG 3.44Å; I16-L102 HydrophobicContact CB-CD2 4.06Å; I16-L102 HydrophobicContact CG2-CD2 3.67Å; I16-V174 HydrophobicContact CD1-CG1 4.49Å; I16-V174 HydrophobicContact CG1-CG1 3.54Å; I16-V174 WeakPolarHBondContact CG1-O 3.2Å; I16-A177 HydrophobicContact CG2-CB 4.12Å; I16-F180 HydrophobicContact CD1-CD1 4.48Å |
| 17 | Q | 95.1 | Very high | 93 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.4 | -70.5 | -171.7 | -55.4 | 0 | 0 | 111.9 | V13 L14 L19 Q20 N21 P100 H101 L102 | V13-Q17 HydrophobicContact CG1-CG 4.43Å; V13-Q17 WeakPolarHBondContact O-CG 3.43Å; V13-Q17 PolarHBondContact O-N 3.33Å; L14-Q17 PolarHBondContact O-N 3.46Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.95Å; Q17-Q20 PolarHBondContact O-N 3.13Å; Q17-N21 VanDerWaalsContact O-CB 3.26Å; Q17-N21 WeakPolarHBondContact O-CB 3.44Å; Q17-N21 PolarHBondContact O-N 3.22Å; Q17-N21 PolarHBondContact O-ND2 3.24Å; Q17-P100 VanDerWaalsContact NE2-CB 3.32Å; Q17-H101 PolarHBondContact NE2-O 3.24Å; Q17-H101 VanDerWaalsContact NE2-O 3.1Å; Q17-L102 HydrophobicContact CG-CD2 3.7Å |
| 18 | H | 94.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.2 | -179 | 82.5 | 0 | 0 | 0 | 111.6 | L14 I15 I16 N22 | L14-H18 WeakPolarHBondContact O-CB 3.46Å; L14-H18 PolarHBondContact O-N 2.94Å; I15-H18 PolarHBondContact O-N 2.92Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 2.9Å; H18-N22 PolarHBondContact CE1-ND2 2.71Å; H18-N22 PolarHBondContact ND1-ND2 3.49Å; H18-N22 WeakPolarHBondContact O-CB 3.47Å; H18-N22 PolarHBondContact O-N 3.29Å; H18-N22 VanDerWaalsContact O-N 3.08Å; H18-N22 PolarHBondContact O-ND2 3.21Å |
| 19 | L | 94.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 72.7 Ų | 72.7 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.3 | -72.9 | 172.4 | 0 | 0 | 0 | 111.8 | I15 I16 Q17 N21 Y23 I171 V174 F175 | I15-L19 HydrophobicContact CG2-CD1 4.03Å; I15-L19 HydrophobicContact CG2-CG 4.44Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 3.45Å; I16-L19 PolarHBondContact O-N 3.21Å; I16-L19 VanDerWaalsContact O-N 3.16Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.95Å; L19-N21 PolarHBondContact O-N 3.45Å; L19-Y23 HydrophobicContact CD2-CD2 4Å; L19-Y23 HydrophobicContact CD2-CE2 4.24Å; L19-Y23 WeakPolarHBondContact O-CA 3.15Å; L19-Y23 WeakPolarHBondContact O-CB 3.21Å; L19-Y23 PolarHBondContact O-N 3.45Å; L19-I171 HydrophobicContact CD1-CG2 4.44Å; L19-I171 HydrophobicContact CD2-CG2 4.32Å; L19-V174 HydrophobicContact CD1-CB 4.27Å; L19-V174 HydrophobicContact CD1-CG1 3.74Å; L19-F175 HydrophobicContact CB-CD2 4.11Å |
| 20 | Q | 94.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | -179.7 | -71.5 | -178.7 | -21.1 | 0 | 0 | 112.2 | I16 Q17 R24 D103 F175 | I16-Q20 HydrophobicContact CG2-CG 4.2Å; I16-Q20 WeakPolarHBondContact O-CB 3.34Å; I16-Q20 WeakPolarHBondContact O-CG 3.43Å; I16-Q20 PolarHBondContact O-N 3.32Å; Q17-Q20 PolarHBondContact O-N 3.13Å; Q20-R24 WeakPolarHBondContact O-CB 3.47Å; Q20-D103 PolarHBondContact NE2-O 2.94Å; Q20-D103 VanDerWaalsContact NE2-O 3.08Å; Q20-F175 HydrophobicContact CG-CD2 4.27Å; Q20-F175 HydrophobicContact CG-CE2 4.29Å; Q20-F175 WeakPolarHBondContact CG-O 3.44Å; Q20-F175 PolarHBondContact NE2-O 2.96Å |
| 21 | N | 93.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.6 | -41.3 | -178.8 | -70 | -23.8 | 0 | 0 | 0 | 113.2 | Q17 L19 | Q17-N21 VanDerWaalsContact O-CB 3.26Å; Q17-N21 WeakPolarHBondContact O-CB 3.44Å; Q17-N21 PolarHBondContact O-N 3.22Å; Q17-N21 PolarHBondContact O-ND2 3.24Å; L19-N21 PolarHBondContact O-N 3.45Å |
| 22 | N | 94.9 | Very high | 93.1 | Very high | 99 Ų | 99 | 75.7 Ų | 75.7 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -93.3 | -22.8 | -172.9 | -63.2 | -71.1 | 0 | 0 | 0 | 114 | H18 | H18-N22 PolarHBondContact CE1-ND2 2.71Å; H18-N22 PolarHBondContact ND1-ND2 3.49Å; H18-N22 WeakPolarHBondContact O-CB 3.47Å; H18-N22 PolarHBondContact O-N 3.29Å; H18-N22 VanDerWaalsContact O-N 3.08Å; H18-N22 PolarHBondContact O-ND2 3.21Å |
| 23 | Y | 91.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 76.2 Ų | 76.2 | 43% | 0.431 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -119.2 | 23.8 | -174.1 | -59.6 | -89.4 | 0 | 0 | 0 | 113 | L19 E25 Y26 | L19-Y23 HydrophobicContact CD2-CD2 4Å; L19-Y23 HydrophobicContact CD2-CE2 4.24Å; L19-Y23 WeakPolarHBondContact O-CA 3.15Å; L19-Y23 WeakPolarHBondContact O-CB 3.21Å; L19-Y23 PolarHBondContact O-N 3.45Å; Y23-E25 PolarHBondContact O-N 3.14Å; Y23-Y26 AromaticContact CD1-CD2 3.97Å; Y23-Y26 HydrophobicContact CD1-CD2 3.97Å; Y23-Y26 HydrophobicContact CD1-CE2 4.22Å; Y23-Y26 PolarHBondContact O-N 3.28Å |
| 24 | R | 88.6 | Confident | 92.9 | Very high | 170 Ų | 170 | 76.3 Ų | 76.3 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -57.6 | -35.4 | -179 | -159.4 | 173.7 | -172.3 | 179.8 | 5.6 | 113.3 | Q20 Y26 N27 | Q20-R24 WeakPolarHBondContact O-CB 3.47Å; R24-Y26 PolarHBondContact O-N 2.88Å; R24-N27 WeakPolarHBondContact O-CB 3.35Å; R24-N27 PolarHBondContact O-N 3.37Å; R24-N27 VanDerWaalsContact O-N 3.12Å |
| 25 | E | 91.5 | Very high | 92.7 | Very high | 180 Ų | 180 | 75.7 Ų | 75.7 | 84% | 0.841 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -63.2 | -26.3 | 177.6 | -61.9 | -175.8 | 171.4 | 0 | 0 | 112.6 | Y23 N27 | Y23-E25 PolarHBondContact O-N 3.14Å; E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 3.46Å |
| 26 | Y | 90.6 | Very high | 92.5 | Very high | 134 Ų | 134 | 73 Ų | 73 | 53% | 0.525 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -87.1 | 8.7 | 178.2 | -61.7 | -84.3 | 0 | 0 | 0 | 113.3 | Y23 R24 S28 F29 L30 | Y23-Y26 AromaticContact CD1-CD2 3.97Å; Y23-Y26 HydrophobicContact CD1-CD2 3.97Å; Y23-Y26 HydrophobicContact CD1-CE2 4.22Å; Y23-Y26 PolarHBondContact O-N 3.28Å; R24-Y26 PolarHBondContact O-N 2.88Å; Y26-S28 VanDerWaalsContact C-N 3.27Å; Y26-S28 PolarHBondContact O-N 3.29Å; Y26-F29 PolarHBondContact O-N 3.17Å; Y26-L30 WeakPolarHBondContact O-CG 3.36Å; Y26-L30 PolarHBondContact O-N 2.87Å |
| 27 | N | 90.2 | Very high | 92.2 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.6 | -42.7 | -178.6 | 178.6 | 29.4 | 0 | 0 | 0 | 112.7 | R24 E25 F29 L30 S31 F105 F175 | R24-N27 WeakPolarHBondContact O-CB 3.35Å; R24-N27 PolarHBondContact O-N 3.37Å; R24-N27 VanDerWaalsContact O-N 3.12Å; E25-N27 VanDerWaalsContact C-N 3.28Å; E25-N27 PolarHBondContact O-N 3.46Å; N27-F29 PolarHBondContact O-N 2.92Å; N27-L30 PolarHBondContact O-N 3.17Å; N27-S31 WeakPolarHBondContact O-CB 3.19Å; N27-S31 PolarHBondContact O-N 3.39Å; N27-S31 PolarHBondContact O-OG 2.97Å; N27-S31 PolarHBondContact OD1-OG 3.49Å; N27-F105 WeakPolarHBondContact OD1-CE1 3.4Å; N27-F175 HydrophobicContact CB-CE1 4.2Å; N27-F175 HydrophobicContact CB-CZ 4.18Å |
| 28 | S | 91.6 | Very high | 91.9 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 178.6 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | Y26 F32 | Y26-S28 VanDerWaalsContact C-N 3.27Å; Y26-S28 PolarHBondContact O-N 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 3.35Å |
| 29 | F | 93.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 67.7 Ų | 67.7 | 45% | 0.447 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 176.5 | 172 | -101.4 | 0 | 0 | 0 | 111.3 | Y26 N27 S31 F32 M33 | Y26-F29 PolarHBondContact O-N 3.17Å; N27-F29 PolarHBondContact O-N 2.92Å; F29-S31 PolarHBondContact O-N 3.36Å; F29-F32 WeakPolarHBondContact O-CB 3.27Å; F29-F32 PolarHBondContact O-N 2.97Å; F29-M33 HydrophobicContact CD1-CG 4.37Å; F29-M33 HydrophobicContact CD2-CG 4.34Å; F29-M33 HydrophobicContact CE1-CG 3.89Å; F29-M33 HydrophobicContact CE2-CG 3.86Å; F29-M33 HydrophobicContact CE2-SD 4.06Å; F29-M33 HydrophobicContact CZ-CG 3.61Å; F29-M33 HydrophobicContact CZ-SD 4.12Å; F29-M33 WeakPolarHBondContact O-CG 3.5Å; F29-M33 PolarHBondContact O-N 3.19Å |
| 30 | L | 93.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 179.3 | -66.6 | 174.6 | 0 | 0 | 0 | 111.1 | Y26 N27 F32 M33 S34 I171 S172 F175 | Y26-L30 WeakPolarHBondContact O-CG 3.36Å; Y26-L30 PolarHBondContact O-N 2.87Å; N27-L30 PolarHBondContact O-N 3.17Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 2.97Å; L30-M33 PolarHBondContact O-N 3.06Å; L30-M33 VanDerWaalsContact O-N 3.17Å; L30-S34 PolarHBondContact O-N 3.44Å; L30-I171 HydrophobicContact CD2-CG2 3.91Å; L30-S172 WeakPolarHBondContact O-CB 3.16Å; L30-S172 PolarHBondContact O-OG 3.27Å; L30-F175 HydrophobicContact CB-CD1 4.26Å; L30-F175 HydrophobicContact CD1-CB 3.87Å; L30-F175 HydrophobicContact CD1-CD1 3.81Å; L30-F175 HydrophobicContact CD1-CD2 3.48Å; L30-F175 VanDerWaalsContact CD1-CD2 3.48Å; L30-F175 HydrophobicContact CD1-CE1 4.2Å; L30-F175 HydrophobicContact CD1-CE2 3.89Å; L30-F175 HydrophobicContact CD1-CG 3.43Å; L30-F175 VanDerWaalsContact CD1-CG 3.43Å; L30-F175 HydrophobicContact CD1-CZ 4.24Å |
| 31 | S | 90.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 73.4 Ų | 73.4 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 174 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | N27 F29 M33 S34 I35 | N27-S31 WeakPolarHBondContact O-CB 3.19Å; N27-S31 PolarHBondContact O-N 3.39Å; N27-S31 PolarHBondContact O-OG 2.97Å; N27-S31 PolarHBondContact OD1-OG 3.49Å; F29-S31 PolarHBondContact O-N 3.36Å; S31-M33 VanDerWaalsContact C-N 3.34Å; S31-M33 PolarHBondContact O-N 3.33Å; S31-S34 WeakPolarHBondContact O-CB 3.47Å; S31-S34 PolarHBondContact O-N 2.92Å; S31-S34 VanDerWaalsContact O-N 3.14Å; S31-I35 PolarHBondContact O-N 3.43Å; S31-I35 VanDerWaalsContact O-N 3.15Å |
| 32 | F | 92.8 | Very high | 90.8 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 52% | 0.518 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 173.7 | 173.8 | -102.5 | 0 | 0 | 0 | 112.1 | S28 F29 L30 S34 I35 V36 | S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 3.35Å; F29-F32 WeakPolarHBondContact O-CB 3.27Å; F29-F32 PolarHBondContact O-N 2.97Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 2.97Å; F32-S34 VanDerWaalsContact C-N 3.26Å; F32-S34 PolarHBondContact O-N 3.39Å; F32-I35 CarbonylContact O-C 3.44Å; F32-I35 WeakPolarHBondContact O-CA 3.42Å; F32-I35 WeakPolarHBondContact O-CB 3.44Å; F32-I35 PolarHBondContact O-N 3.44Å; F32-V36 HydrophobicContact CD1-CG2 3.99Å; F32-V36 HydrophobicContact CE1-CG2 3.5Å; F32-V36 VanDerWaalsContact CE1-CG2 3.5Å; F32-V36 HydrophobicContact CE2-CG2 4.17Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 2.98Å |
| 33 | M | 93.5 | Very high | 90.6 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -29.7 | 177.3 | -68.1 | -51.8 | -59.2 | 0 | 0 | 112.7 | F29 L30 S31 I35 V36 G37 I165 V169 | F29-M33 HydrophobicContact CD1-CG 4.37Å; F29-M33 HydrophobicContact CD2-CG 4.34Å; F29-M33 HydrophobicContact CE1-CG 3.89Å; F29-M33 HydrophobicContact CE2-CG 3.86Å; F29-M33 HydrophobicContact CE2-SD 4.06Å; F29-M33 HydrophobicContact CZ-CG 3.61Å; F29-M33 HydrophobicContact CZ-SD 4.12Å; F29-M33 WeakPolarHBondContact O-CG 3.5Å; F29-M33 PolarHBondContact O-N 3.19Å; L30-M33 PolarHBondContact O-N 3.06Å; L30-M33 VanDerWaalsContact O-N 3.17Å; S31-M33 VanDerWaalsContact C-N 3.34Å; S31-M33 PolarHBondContact O-N 3.33Å; M33-I35 VanDerWaalsContact C-N 3.31Å; M33-V36 HydrophobicContact CE-CB 4.26Å; M33-V36 HydrophobicContact CE-CG1 4.18Å; M33-V36 PolarHBondContact O-N 3.49Å; M33-V36 HydrophobicContact SD-CB 4.48Å; M33-V36 HydrophobicContact SD-CG2 4.21Å; M33-G37 PolarHBondContact O-N 3.17Å; M33-I165 HydrophobicContact CE-CB 4.5Å; M33-I165 HydrophobicContact CE-CG2 4.16Å; M33-V169 HydrophobicContact CE-CG2 4.35Å; M33-V169 WeakPolarHBondContact O-CG2 3.5Å |
| 34 | S | 91.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 170 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | L30 S31 F32 G37 D38 H119 S172 R173 | L30-S34 PolarHBondContact O-N 3.44Å; S31-S34 WeakPolarHBondContact O-CB 3.47Å; S31-S34 PolarHBondContact O-N 2.92Å; S31-S34 VanDerWaalsContact O-N 3.14Å; F32-S34 VanDerWaalsContact C-N 3.26Å; F32-S34 PolarHBondContact O-N 3.39Å; S34-G37 PolarHBondContact O-N 3.12Å; S34-D38 PolarHBondContact O-N 3.42Å; S34-H119 PolarHBondContact O-CD2 3.35Å; S34-S172 VanDerWaalsContact CB-OG 3.32Å; S34-S172 WeakPolarHBondContact CB-OG 3.47Å; S34-S172 PolarHBondContact N-OG 2.85Å; S34-R173 PolarHBondContact OG-NH1 2.89Å |
| 35 | I | 90.5 | Very high | 90.7 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 48% | 0.482 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 174.7 | -62.2 | 167.6 | 0 | 0 | 0 | 109.1 | S31 F32 M33 G37 D38 N41 | S31-I35 PolarHBondContact O-N 3.43Å; S31-I35 VanDerWaalsContact O-N 3.15Å; F32-I35 CarbonylContact O-C 3.44Å; F32-I35 WeakPolarHBondContact O-CA 3.42Å; F32-I35 WeakPolarHBondContact O-CB 3.44Å; F32-I35 PolarHBondContact O-N 3.44Å; M33-I35 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.3Å; I35-D38 WeakPolarHBondContact O-CB 3.21Å; I35-D38 PolarHBondContact O-N 2.98Å; I35-N41 PolarHBondContact O-ND2 3.17Å |
| 36 | V | 90.3 | Very high | 90.8 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -40.7 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.8 | F32 M33 D38 I165 | F32-V36 HydrophobicContact CD1-CG2 3.99Å; F32-V36 HydrophobicContact CE1-CG2 3.5Å; F32-V36 VanDerWaalsContact CE1-CG2 3.5Å; F32-V36 HydrophobicContact CE2-CG2 4.17Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 2.98Å; M33-V36 HydrophobicContact CE-CB 4.26Å; M33-V36 HydrophobicContact CE-CG1 4.18Å; M33-V36 PolarHBondContact O-N 3.49Å; M33-V36 HydrophobicContact SD-CB 4.48Å; M33-V36 HydrophobicContact SD-CG2 4.21Å; V36-D38 VanDerWaalsContact C-N 3.29Å; V36-D38 PolarHBondContact O-N 3.42Å; V36-I165 HydrophobicContact CG1-CG2 4.25Å |
| 37 | G | 88.5 | Confident | 90.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M33 S34 I35 P39 H119 | M33-G37 PolarHBondContact O-N 3.17Å; S34-G37 PolarHBondContact O-N 3.12Å; I35-G37 PolarHBondContact O-N 3.3Å; G37-P39 WeakPolarHBondContact O-CD 3.45Å; G37-H119 PolarHBondContact O-CD2 3.01Å |
| 38 | D | 89.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | trans | -68.1 | 124.2 | 179.2 | -169.8 | -37.2 | 0 | 0 | 0 | 110.5 | S34 I35 V36 R40 N41 | S34-D38 PolarHBondContact O-N 3.42Å; I35-D38 WeakPolarHBondContact O-CB 3.21Å; I35-D38 PolarHBondContact O-N 2.98Å; V36-D38 VanDerWaalsContact C-N 3.29Å; V36-D38 PolarHBondContact O-N 3.42Å; D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 VanDerWaalsContact OD1-CB 3.26Å; D38-R40 WeakPolarHBondContact OD1-CB 3.22Å; D38-R40 VanDerWaalsContact OD1-CG 3.32Å; D38-R40 WeakPolarHBondContact OD1-CG 3.21Å; D38-R40 PolarHBondContact OD1-N 2.89Å; D38-R40 IonicContact OD1-NE 3.24Å; D38-R40 PolarHBondContact OD1-NE 2.76Å; D38-R40 IonicContact OD2-CZ 3.19Å; D38-R40 IonicContact OD2-NE 2.88Å; D38-R40 PolarHBondContact OD2-NE 2.84Å; D38-R40 IonicContact OD2-NH2 2.68Å; D38-R40 PolarHBondContact OD2-NH2 2.96Å; D38-N41 WeakPolarHBondContact O-CB 3.41Å; D38-N41 PolarHBondContact O-N 3.14Å | ||
| 39 | P | 85.9 | Confident | 91.1 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.5 | 177.2 | -25.9 | 35.1 | 0 | 0 | 0 | 114.5 | G37 N41 I42 | G37-P39 WeakPolarHBondContact O-CD 3.45Å; P39-N41 VanDerWaalsContact C-N 3.31Å; P39-N41 PolarHBondContact O-N 3.49Å; P39-I42 HydrophobicContact CB-CD1 4.21Å; P39-I42 VanDerWaalsContact O-CB 3.28Å; P39-I42 WeakPolarHBondContact O-CB 3.48Å; P39-I42 WeakPolarHBondContact O-CG1 3.16Å; P39-I42 PolarHBondContact O-N 3.05Å |
| 40 | R | 87.1 | Confident | 91.1 | Very high | 116 Ų | 116 | 33.8 Ų | 33.8 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63 | -36.6 | 174.1 | -68.9 | 179.7 | -74.7 | -175.2 | -0.3 | 112.2 | D38 I42 F43 Y44 | D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 VanDerWaalsContact OD1-CB 3.26Å; D38-R40 WeakPolarHBondContact OD1-CB 3.22Å; D38-R40 VanDerWaalsContact OD1-CG 3.32Å; D38-R40 WeakPolarHBondContact OD1-CG 3.21Å; D38-R40 PolarHBondContact OD1-N 2.89Å; D38-R40 IonicContact OD1-NE 3.24Å; D38-R40 PolarHBondContact OD1-NE 2.76Å; D38-R40 IonicContact OD2-CZ 3.19Å; D38-R40 IonicContact OD2-NE 2.88Å; D38-R40 PolarHBondContact OD2-NE 2.84Å; D38-R40 IonicContact OD2-NH2 2.68Å; D38-R40 PolarHBondContact OD2-NH2 2.96Å; R40-I42 PolarHBondContact O-N 3.21Å; R40-I42 VanDerWaalsContact O-N 3.14Å; R40-F43 PolarHBondContact O-N 3.38Å; R40-Y44 HydrophobicContact CB-CD2 4.19Å; R40-Y44 HydrophobicContact CB-CE2 4.36Å; R40-Y44 VanDerWaalsContact O-CD2 3.22Å; R40-Y44 WeakPolarHBondContact O-CD2 2.93Å; R40-Y44 PolarHBondContact O-N 3.46Å |
| 41 | N | 89.9 | Confident | 91.1 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -21.7 | 179.9 | -73.4 | -19.3 | 0 | 0 | 0 | 113 | I35 D38 P39 F43 V45 Y46 | I35-N41 PolarHBondContact O-ND2 3.17Å; D38-N41 WeakPolarHBondContact O-CB 3.41Å; D38-N41 PolarHBondContact O-N 3.14Å; P39-N41 VanDerWaalsContact C-N 3.31Å; P39-N41 PolarHBondContact O-N 3.49Å; N41-F43 VanDerWaalsContact C-N 3.32Å; N41-F43 PolarHBondContact O-N 3.45Å; N41-V45 WeakPolarHBondContact O-CA 3.34Å; N41-V45 WeakPolarHBondContact O-CB 3.27Å; N41-V45 PolarHBondContact O-N 3.24Å; N41-Y46 HydrophobicContact CB-CD2 4.43Å; N41-Y46 HydrophobicContact CB-CE2 3.94Å; N41-Y46 WeakPolarHBondContact O-CD2 3.46Å; N41-Y46 PolarHBondContact O-N 3.41Å |
| 42 | I | 91.6 | Very high | 91 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -56.3 | -49.4 | 171 | -57.7 | 168.8 | 0 | 0 | 0 | 110.4 | P39 R40 Y46 F47 M61 A65 V126 | P39-I42 HydrophobicContact CB-CD1 4.21Å; P39-I42 VanDerWaalsContact O-CB 3.28Å; P39-I42 WeakPolarHBondContact O-CB 3.48Å; P39-I42 WeakPolarHBondContact O-CG1 3.16Å; P39-I42 PolarHBondContact O-N 3.05Å; R40-I42 PolarHBondContact O-N 3.21Å; R40-I42 VanDerWaalsContact O-N 3.14Å; I42-Y46 HydrophobicContact CG1-CD2 4.5Å; I42-F47 WeakPolarHBondContact O-CB 3.26Å; I42-F47 PolarHBondContact O-N 3.28Å; I42-M61 HydrophobicContact CG2-CG 4.07Å; I42-M61 HydrophobicContact CG2-SD 4.3Å; I42-A65 HydrophobicContact CD1-CB 4.24Å; I42-A65 HydrophobicContact CG2-CB 3.83Å; I42-V126 HydrophobicContact CB-CG2 4.36Å; I42-V126 HydrophobicContact CD1-CB 4.34Å; I42-V126 HydrophobicContact CD1-CG2 3.52Å; I42-V126 HydrophobicContact CG1-CB 4.21Å; I42-V126 HydrophobicContact CG1-CG1 4.39Å; I42-V126 HydrophobicContact CG1-CG2 3.72Å; I42-V126 HydrophobicContact CG2-CG1 4.39Å; I42-V126 HydrophobicContact CG2-CG2 3.74Å |
| 43 | F | 90.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -80.6 | -35.4 | -175.2 | -58.4 | -78.5 | 0 | 0 | 0 | 112.6 | R40 N41 P48 I62 A65 A270 V336 | R40-F43 PolarHBondContact O-N 3.38Å; N41-F43 VanDerWaalsContact C-N 3.32Å; N41-F43 PolarHBondContact O-N 3.45Å; F43-P48 WeakPolarHBondContact O-CD 3.49Å; F43-I62 HydrophobicContact CD1-CD1 3.54Å; F43-I62 HydrophobicContact CE1-CD1 3.66Å; F43-A65 HydrophobicContact CZ-CB 4.26Å; F43-A270 HydrophobicContact CD1-CB 4.11Å; F43-A270 HydrophobicContact CE1-CB 3.59Å; F43-A270 HydrophobicContact CZ-CB 4.28Å; F43-V336 HydrophobicContact CB-CG1 4.21Å |
| 44 | Y | 89.8 | Confident | 90.7 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -90.8 | -24.3 | -173.3 | -67.2 | -68 | 0 | 0 | 0 | 114.7 | R40 L309 Y312 V336 | R40-Y44 HydrophobicContact CB-CD2 4.19Å; R40-Y44 HydrophobicContact CB-CE2 4.36Å; R40-Y44 VanDerWaalsContact O-CD2 3.22Å; R40-Y44 WeakPolarHBondContact O-CD2 2.93Å; R40-Y44 PolarHBondContact O-N 3.46Å; Y44-L309 HydrophobicContact CD1-CB 4Å; Y44-L309 HydrophobicContact CD1-CD2 3.89Å; Y44-L309 HydrophobicContact CD1-CG 4.37Å; Y44-L309 HydrophobicContact CE1-CD2 4.16Å; Y44-Y312 HydrophobicContact CE1-CD1 4.33Å; Y44-V336 HydrophobicContact CE1-CG2 3.79Å |
| 45 | V | 91.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 34 Ų | 34 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -122.7 | -60.8 | -174.5 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | N41 P48 L49 | N41-V45 WeakPolarHBondContact O-CA 3.34Å; N41-V45 WeakPolarHBondContact O-CB 3.27Å; N41-V45 PolarHBondContact O-N 3.24Å; V45-P48 WeakPolarHBondContact O-CD 3.46Å; V45-L49 HydrophobicContact CG1-CD1 4.24Å; V45-L49 WeakPolarHBondContact O-CD1 3.4Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å |
| 46 | Y | 93.3 | Very high | 90.8 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -72.1 | -43.6 | -169.9 | -55.4 | -55.2 | 0 | 0 | 0 | 112.2 | N41 I42 L49 W50 V126 W127 M130 | N41-Y46 HydrophobicContact CB-CD2 4.43Å; N41-Y46 HydrophobicContact CB-CE2 3.94Å; N41-Y46 WeakPolarHBondContact O-CD2 3.46Å; N41-Y46 PolarHBondContact O-N 3.41Å; I42-Y46 HydrophobicContact CG1-CD2 4.5Å; Y46-L49 PolarHBondContact O-N 2.83Å; Y46-W50 WeakPolarHBondContact O-CB 3.48Å; Y46-W50 VanDerWaalsContact O-CD1 3.27Å; Y46-W50 PolarHBondContact O-N 3.03Å; Y46-V126 HydrophobicContact CD2-CG1 4.39Å; Y46-W127 HydrophobicContact CE1-CZ2 4.14Å; Y46-M130 HydrophobicContact CD1-CE 4.18Å; Y46-M130 HydrophobicContact CD1-SD 4.02Å; Y46-M130 HydrophobicContact CE1-CE 4.39Å; Y46-M130 HydrophobicContact CG-CE 4.39Å; Y46-M130 HydrophobicContact CG-SD 4.19Å |
| 47 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | -178.5 | 165.1 | -108.7 | 0 | 0 | 0 | 113.5 | I42 L49 W50 F51 G58 M61 I62 L274 P337 V340 V341 | I42-F47 WeakPolarHBondContact O-CB 3.26Å; I42-F47 PolarHBondContact O-N 3.28Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.49Å; F47-W50 PolarHBondContact O-N 3.47Å; F47-F51 HydrophobicContact CD2-CB 4.39Å; F47-F51 HydrophobicContact CE2-CB 4.13Å; F47-F51 AromaticContact CE2-CD2 3.89Å; F47-F51 HydrophobicContact CE2-CD2 3.89Å; F47-F51 HydrophobicContact CE2-CG 4.27Å; F47-F51 HydrophobicContact CZ-CD2 4.25Å; F47-F51 HydrophobicContact CZ-CG 4.45Å; F47-F51 WeakPolarHBondContact O-CB 3.25Å; F47-F51 PolarHBondContact O-N 3.45Å; F47-G58 WeakPolarHBondContact CD2-O 3.4Å; F47-G58 WeakPolarHBondContact CE2-O 3.23Å; F47-M61 HydrophobicContact CB-SD 4.1Å; F47-I62 HydrophobicContact CB-CD1 4.15Å; F47-I62 HydrophobicContact CD1-CD1 4.03Å; F47-I62 HydrophobicContact CD2-CD1 3.57Å; F47-I62 HydrophobicContact CD2-CG1 3.43Å; F47-I62 VanDerWaalsContact CD2-CG1 3.43Å; F47-I62 HydrophobicContact CE1-CD1 4.3Å; F47-I62 HydrophobicContact CE2-CD1 3.87Å; F47-I62 HydrophobicContact CE2-CG1 3.36Å; F47-I62 HydrophobicContact CG-CD1 3.64Å; F47-I62 HydrophobicContact CG-CG1 4.05Å; F47-I62 HydrophobicContact CZ-CD1 4.21Å; F47-I62 HydrophobicContact CZ-CG1 3.94Å; F47-L274 HydrophobicContact CE2-CD1 4.36Å; F47-L274 HydrophobicContact CZ-CD1 4.17Å; F47-P337 HydrophobicContact CE1-CB 4.17Å; F47-P337 HydrophobicContact CE1-CG 4.49Å; F47-P337 HydrophobicContact CZ-CB 4.22Å; F47-V340 HydrophobicContact CD1-CB 4.39Å; F47-V340 HydrophobicContact CD1-CG1 4.05Å; F47-V340 HydrophobicContact CD1-CG2 4.41Å; F47-V340 HydrophobicContact CE1-CB 3.7Å; F47-V340 HydrophobicContact CE1-CG1 3.54Å; F47-V340 HydrophobicContact CE1-CG2 4.12Å; F47-V340 HydrophobicContact CZ-CG1 4.16Å; F47-V341 HydrophobicContact CE1-CG2 4.37Å; F47-V341 HydrophobicContact CZ-CG2 3.63Å |
| 48 | P | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 177.1 | -23.6 | 31.7 | 0 | 0 | 0 | 113.2 | F43 V45 H52 N305 L309 V340 | F43-P48 WeakPolarHBondContact O-CD 3.49Å; V45-P48 WeakPolarHBondContact O-CD 3.46Å; P48-H52 PolarHBondContact O-CD2 3.28Å; P48-H52 PolarHBondContact O-N 3.01Å; P48-N305 HydrophobicContact CB-CB 4Å; P48-L309 HydrophobicContact CB-CD1 4.3Å; P48-L309 HydrophobicContact CG-CD1 3.31Å; P48-V340 HydrophobicContact CB-CG1 4.09Å; P48-V340 HydrophobicContact CB-CG2 4.42Å; P48-V340 HydrophobicContact CG-CG1 4.35Å; P48-V340 HydrophobicContact CG-CG2 4.03Å |
| 49 | L | 92.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 32.9 Ų | 32.9 | 29% | 0.293 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.9 | -53.3 | 178.2 | -70.9 | 173.2 | 0 | 0 | 0 | 111.1 | V45 Y46 F47 F51 H52 L53 M302 L306 | V45-L49 HydrophobicContact CG1-CD1 4.24Å; V45-L49 WeakPolarHBondContact O-CD1 3.4Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; Y46-L49 PolarHBondContact O-N 2.83Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.49Å; L49-F51 PolarHBondContact O-N 3.05Å; L49-H52 PolarHBondContact O-N 3.48Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.03Å; L49-M302 HydrophobicContact CD2-SD 4.46Å; L49-L306 HydrophobicContact CD2-CD1 3.91Å; L49-L306 HydrophobicContact CG-CD1 4.44Å |
| 50 | W | 93.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.2 | -30.7 | -175.3 | -81.1 | 93 | 0 | 0 | 0 | 113.5 | Y46 F47 L53 S54 V57 M61 M130 A134 F137 | Y46-W50 WeakPolarHBondContact O-CB 3.48Å; Y46-W50 VanDerWaalsContact O-CD1 3.27Å; Y46-W50 PolarHBondContact O-N 3.03Å; F47-W50 PolarHBondContact O-N 3.47Å; W50-L53 HydrophobicContact CD2-CD1 4.44Å; W50-L53 HydrophobicContact CE3-CD1 4.43Å; W50-L53 PolarHBondContact O-N 2.88Å; W50-S54 CarbonylContact O-C 3.45Å; W50-S54 PolarHBondContact O-N 3.2Å; W50-V57 HydrophobicContact CB-CG1 4.39Å; W50-V57 HydrophobicContact CD2-CG1 4.13Å; W50-V57 HydrophobicContact CE3-CB 4.13Å; W50-V57 HydrophobicContact CE3-CG1 3.47Å; W50-V57 VanDerWaalsContact CE3-CG1 3.47Å; W50-V57 HydrophobicContact CZ3-CG1 4.03Å; W50-M61 HydrophobicContact CB-CE 3.78Å; W50-M61 HydrophobicContact CD2-CE 4.48Å; W50-M61 HydrophobicContact CG-CE 3.67Å; W50-M130 HydrophobicContact CD2-CG 4.33Å; W50-M130 HydrophobicContact CH2-CB 4.4Å; W50-M130 WeakPolarHBondContact CH2-O 3.44Å; W50-M130 HydrophobicContact CZ2-CB 3.67Å; W50-M130 HydrophobicContact CZ2-CG 3.86Å; W50-M130 HydrophobicContact CZ2-SD 4.39Å; W50-M130 VanDerWaalsContact NE1-CG 3.35Å; W50-M130 PolarHBondContact NE1-SD 3.02Å; W50-A134 HydrophobicContact CH2-CB 4.08Å; W50-F137 HydrophobicContact CZ3-CD2 4.49Å; W50-F137 AromaticContact CZ3-CE2 3.93Å; W50-F137 HydrophobicContact CZ3-CE2 3.93Å |
| 51 | F | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.3 | -171.5 | -93.4 | 0 | 0 | 0 | 111.3 | F47 L49 L53 S54 H55 F283 V341 | F47-F51 HydrophobicContact CD2-CB 4.39Å; F47-F51 HydrophobicContact CE2-CB 4.13Å; F47-F51 AromaticContact CE2-CD2 3.89Å; F47-F51 HydrophobicContact CE2-CD2 3.89Å; F47-F51 HydrophobicContact CE2-CG 4.27Å; F47-F51 HydrophobicContact CZ-CD2 4.25Å; F47-F51 HydrophobicContact CZ-CG 4.45Å; F47-F51 WeakPolarHBondContact O-CB 3.25Å; F47-F51 PolarHBondContact O-N 3.45Å; L49-F51 PolarHBondContact O-N 3.05Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 2.78Å; F51-S54 CarbonylContact O-C 3.06Å; F51-S54 PolarHBondContact O-N 3.39Å; F51-H55 AromaticContact CD1-CD2 3.81Å; F51-H55 AromaticContact CE1-CD2 3.38Å; F51-H55 WeakPolarHBondContact CE1-CD2 3.33Å; F51-H55 HydrophobicContact CE2-CB 4.08Å; F51-H55 HydrophobicContact CZ-CB 4.07Å; F51-H55 AromaticContact CZ-CD2 3.63Å; F51-H55 WeakPolarHBondContact O-CA 3.43Å; F51-H55 PolarHBondContact O-CD2 3.42Å; F51-H55 PolarHBondContact O-N 2.9Å; F51-F283 HydrophobicContact CE1-CE2 4.1Å; F51-F283 HydrophobicContact CZ-CD2 4.44Å; F51-F283 AromaticContact CZ-CE2 3.69Å; F51-F283 HydrophobicContact CZ-CE2 3.69Å; F51-F283 HydrophobicContact CZ-CZ 4.26Å; F51-V341 HydrophobicContact CD1-CG2 3.98Å; F51-V341 HydrophobicContact CD2-CG2 3.91Å; F51-V341 HydrophobicContact CE1-CB 4Å; F51-V341 HydrophobicContact CE1-CG1 3.86Å; F51-V341 HydrophobicContact CE1-CG2 3.68Å; F51-V341 HydrophobicContact CE2-CB 4.46Å; F51-V341 HydrophobicContact CE2-CG1 4.14Å; F51-V341 HydrophobicContact CE2-CG2 3.61Å; F51-V341 HydrophobicContact CG-CG2 4.1Å; F51-V341 HydrophobicContact CZ-CB 3.91Å; F51-V341 HydrophobicContact CZ-CG1 3.42Å; F51-V341 VanDerWaalsContact CZ-CG1 3.42Å; F51-V341 HydrophobicContact CZ-CG2 3.5Å |
| 52 | H | 89 | Confident | 92.5 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.3 | -24.4 | 179.5 | -68.6 | -53.3 | 0 | 0 | 0 | 113.5 | P48 L49 K298 M302 N305 | P48-H52 PolarHBondContact O-CD2 3.28Å; P48-H52 PolarHBondContact O-N 3.01Å; L49-H52 PolarHBondContact O-N 3.48Å; H52-K298 WeakPolarHBondContact O-CD 3.37Å; H52-M302 HydrophobicContact CB-CE 3.43Å; H52-M302 VanDerWaalsContact CB-CE 3.43Å; H52-M302 HydrophobicContact CB-CG 3.62Å; H52-M302 HydrophobicContact CB-SD 4.39Å; H52-N305 PolarHBondContact NE2-ND2 3.05Å |
| 53 | L | 89.4 | Confident | 92.7 | Very high | 97 Ų | 97 | 25.3 Ų | 25.3 | 51% | 0.508 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -68.3 | -50.2 | 167.9 | -70.8 | 173.6 | 0 | 0 | 0 | 110.9 | L49 W50 F51 M302 | L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.03Å; W50-L53 HydrophobicContact CD2-CD1 4.44Å; W50-L53 HydrophobicContact CE3-CD1 4.43Å; W50-L53 PolarHBondContact O-N 2.88Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 2.78Å; L53-M302 HydrophobicContact CB-CE 4.47Å; L53-M302 HydrophobicContact CD2-CE 3.74Å; L53-M302 HydrophobicContact CG-CE 3.67Å |
| 54 | S | 90.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 17% | 0.168 | 13% | 0.126 | C | C | . | . | trans | -151.8 | 115.1 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | W50 F51 N56 V57 G58 F137 | W50-S54 CarbonylContact O-C 3.45Å; W50-S54 PolarHBondContact O-N 3.2Å; F51-S54 CarbonylContact O-C 3.06Å; F51-S54 PolarHBondContact O-N 3.39Å; S54-N56 PolarHBondContact O-N 2.81Å; S54-N56 VanDerWaalsContact O-N 3.11Å; S54-V57 PolarHBondContact O-N 3.3Å; S54-G58 PolarHBondContact O-N 3.02Å; S54-F137 VanDerWaalsContact CB-CZ 3.46Å | ||
| 55 | H | 90.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 23.4 Ų | 23.4 | 22% | 0.222 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -34.5 | 179.2 | -56.6 | 147 | 0 | 0 | 0 | 112.1 | F51 T59 | F51-H55 AromaticContact CD1-CD2 3.81Å; F51-H55 AromaticContact CE1-CD2 3.38Å; F51-H55 WeakPolarHBondContact CE1-CD2 3.33Å; F51-H55 HydrophobicContact CE2-CB 4.08Å; F51-H55 HydrophobicContact CZ-CB 4.07Å; F51-H55 AromaticContact CZ-CD2 3.63Å; F51-H55 WeakPolarHBondContact O-CA 3.43Å; F51-H55 PolarHBondContact O-CD2 3.42Å; F51-H55 PolarHBondContact O-N 2.9Å; H55-T59 VanDerWaalsContact O-CB 3.24Å; H55-T59 WeakPolarHBondContact O-CB 3.41Å; H55-T59 PolarHBondContact O-N 3.34Å; H55-T59 PolarHBondContact O-OG1 2.69Å |
| 56 | N | 91.8 | Very high | 93.4 | Very high | 90 Ų | 90 | 21 Ų | 21 | 48% | 0.481 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 178.1 | -69.7 | -4.3 | 0 | 0 | 0 | 111.1 | S54 T59 K60 Y205 | S54-N56 PolarHBondContact O-N 2.81Å; S54-N56 VanDerWaalsContact O-N 3.11Å; N56-T59 PolarHBondContact O-N 3.33Å; N56-K60 WeakPolarHBondContact O-CB 2.87Å; N56-K60 PolarHBondContact O-N 3.31Å; N56-Y205 HydrophobicContact CB-CD1 3.88Å; N56-Y205 HydrophobicContact CB-CE1 3.77Å; N56-Y205 WeakPolarHBondContact O-CE1 3.19Å |
| 57 | V | 93.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | W50 S54 T59 K60 M61 S133 F137 | W50-V57 HydrophobicContact CB-CG1 4.39Å; W50-V57 HydrophobicContact CD2-CG1 4.13Å; W50-V57 HydrophobicContact CE3-CB 4.13Å; W50-V57 HydrophobicContact CE3-CG1 3.47Å; W50-V57 VanDerWaalsContact CE3-CG1 3.47Å; W50-V57 HydrophobicContact CZ3-CG1 4.03Å; S54-V57 PolarHBondContact O-N 3.3Å; V57-T59 PolarHBondContact O-N 3.25Å; V57-K60 PolarHBondContact O-N 3.41Å; V57-M61 WeakPolarHBondContact O-CB 3.27Å; V57-M61 PolarHBondContact O-N 3.07Å; V57-S133 WeakPolarHBondContact CG1-OG 3.34Å; V57-F137 HydrophobicContact CG2-CE2 4.22Å; V57-F137 HydrophobicContact CG2-CZ 3.83Å |
| 58 | G | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F47 S54 M61 I62 | F47-G58 WeakPolarHBondContact CD2-O 3.4Å; F47-G58 WeakPolarHBondContact CE2-O 3.23Å; S54-G58 PolarHBondContact O-N 3.02Å; G58-M61 WeakPolarHBondContact O-CB 3.31Å; G58-M61 PolarHBondContact O-N 3.27Å; G58-I62 PolarHBondContact O-N 3.12Å |
| 59 | T | 93.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | H55 N56 V57 M61 I62 W63 L274 | H55-T59 VanDerWaalsContact O-CB 3.24Å; H55-T59 WeakPolarHBondContact O-CB 3.41Å; H55-T59 PolarHBondContact O-N 3.34Å; H55-T59 PolarHBondContact O-OG1 2.69Å; N56-T59 PolarHBondContact O-N 3.33Å; V57-T59 PolarHBondContact O-N 3.25Å; T59-M61 VanDerWaalsContact C-N 3.27Å; T59-M61 PolarHBondContact O-N 3.35Å; T59-I62 PolarHBondContact O-N 3.37Å; T59-W63 VanDerWaalsContact O-CD1 3.31Å; T59-W63 PolarHBondContact O-N 3.49Å; T59-L274 HydrophobicContact CG2-CD2 4.12Å |
| 60 | K | 95.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -37 | 177.3 | -178.2 | 171.8 | 172.2 | -162.5 | 0 | 112.3 | N56 V57 I62 W63 V64 L129 F198 D199 I204 Y205 | N56-K60 WeakPolarHBondContact O-CB 2.87Å; N56-K60 PolarHBondContact O-N 3.31Å; V57-K60 PolarHBondContact O-N 3.41Å; K60-I62 PolarHBondContact O-N 3.11Å; K60-W63 WeakPolarHBondContact O-CB 3.34Å; K60-W63 PolarHBondContact O-N 3.23Å; K60-V64 HydrophobicContact CG-CG2 3.88Å; K60-V64 VanDerWaalsContact O-CB 3.29Å; K60-V64 WeakPolarHBondContact O-CB 3.45Å; K60-V64 WeakPolarHBondContact O-CG2 3.41Å; K60-V64 PolarHBondContact O-N 2.94Å; K60-L129 HydrophobicContact CD-CD1 3.53Å; K60-L129 HydrophobicContact CG-CD1 3.72Å; K60-F198 WeakPolarHBondContact CE-O 3.22Å; K60-D199 VanDerWaalsContact NZ-CG 3.35Å; K60-D199 IonicContact NZ-OD1 3.9Å; K60-D199 PolarHBondContact NZ-OD1 3.48Å; K60-D199 IonicContact NZ-OD2 3.99Å; K60-I204 HydrophobicContact CB-CD1 3.95Å; K60-I204 HydrophobicContact CD-CD1 4.38Å; K60-I204 HydrophobicContact CG-CD1 3.9Å; K60-Y205 HydrophobicContact CB-CE1 4.13Å; K60-Y205 WeakPolarHBondContact CD-OH 3.43Å |
| 61 | M | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 178.3 | -173 | 176.4 | -68.8 | 0 | 0 | 112.7 | I42 F47 W50 V57 G58 T59 A65 V126 L129 M130 | I42-M61 HydrophobicContact CG2-CG 4.07Å; I42-M61 HydrophobicContact CG2-SD 4.3Å; F47-M61 HydrophobicContact CB-SD 4.1Å; W50-M61 HydrophobicContact CB-CE 3.78Å; W50-M61 HydrophobicContact CD2-CE 4.48Å; W50-M61 HydrophobicContact CG-CE 3.67Å; V57-M61 WeakPolarHBondContact O-CB 3.27Å; V57-M61 PolarHBondContact O-N 3.07Å; G58-M61 WeakPolarHBondContact O-CB 3.31Å; G58-M61 PolarHBondContact O-N 3.27Å; T59-M61 VanDerWaalsContact C-N 3.27Å; T59-M61 PolarHBondContact O-N 3.35Å; M61-A65 VanDerWaalsContact O-CB 3.22Å; M61-A65 WeakPolarHBondContact O-CB 3.32Å; M61-A65 PolarHBondContact O-N 3.35Å; M61-V126 HydrophobicContact CE-CG1 3.87Å; M61-V126 HydrophobicContact CG-CG1 4.02Å; M61-V126 HydrophobicContact CG-CG2 4.29Å; M61-V126 HydrophobicContact SD-CG1 3.84Å; M61-L129 VanDerWaalsContact CA-CD2 3.4Å; M61-L129 HydrophobicContact CB-CD2 3.61Å; M61-L129 HydrophobicContact CE-CD2 4.27Å; M61-L129 HydrophobicContact CG-CD2 4.03Å; M61-M130 HydrophobicContact CE-CG 3.74Å; M61-M130 HydrophobicContact CE-SD 4.2Å |
| 62 | I | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -44 | 177 | -62.5 | -64.6 | 0 | 0 | 0 | 111.1 | F43 F47 G58 T59 K60 V64 A65 V66 L274 P337 | F43-I62 HydrophobicContact CD1-CD1 3.54Å; F43-I62 HydrophobicContact CE1-CD1 3.66Å; F47-I62 HydrophobicContact CB-CD1 4.15Å; F47-I62 HydrophobicContact CD1-CD1 4.03Å; F47-I62 HydrophobicContact CD2-CD1 3.57Å; F47-I62 HydrophobicContact CD2-CG1 3.43Å; F47-I62 VanDerWaalsContact CD2-CG1 3.43Å; F47-I62 HydrophobicContact CE1-CD1 4.3Å; F47-I62 HydrophobicContact CE2-CD1 3.87Å; F47-I62 HydrophobicContact CE2-CG1 3.36Å; F47-I62 HydrophobicContact CG-CD1 3.64Å; F47-I62 HydrophobicContact CG-CG1 4.05Å; F47-I62 HydrophobicContact CZ-CD1 4.21Å; F47-I62 HydrophobicContact CZ-CG1 3.94Å; G58-I62 PolarHBondContact O-N 3.12Å; T59-I62 PolarHBondContact O-N 3.37Å; K60-I62 PolarHBondContact O-N 3.11Å; I62-V64 PolarHBondContact O-N 3.42Å; I62-A65 PolarHBondContact O-N 3.19Å; I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 VanDerWaalsContact O-CB 3.29Å; I62-V66 WeakPolarHBondContact O-CB 3.38Å; I62-V66 VanDerWaalsContact O-CG2 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.29Å; I62-V66 PolarHBondContact O-N 3.49Å; I62-L274 HydrophobicContact CB-CD2 3.69Å; I62-L274 HydrophobicContact CG1-CD2 4.12Å; I62-L274 HydrophobicContact CG2-CB 4.31Å; I62-L274 HydrophobicContact CG2-CD2 3.75Å; I62-P337 HydrophobicContact CD1-CG 4.4Å |
| 63 | W | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.6 | -49.6 | 177 | -86.9 | 100.1 | 0 | 0 | 0 | 112.2 | T59 K60 V66 V67 F198 W203 I204 Y212 V215 L271 | T59-W63 VanDerWaalsContact O-CD1 3.31Å; T59-W63 PolarHBondContact O-N 3.49Å; K60-W63 WeakPolarHBondContact O-CB 3.34Å; K60-W63 PolarHBondContact O-N 3.23Å; W63-V66 PolarHBondContact O-N 3.34Å; W63-V67 HydrophobicContact CE3-CG2 4.4Å; W63-V67 WeakPolarHBondContact O-CB 2.95Å; W63-V67 WeakPolarHBondContact O-CG2 3.44Å; W63-V67 PolarHBondContact O-N 3.4Å; W63-F198 HydrophobicContact CB-CD1 4.28Å; W63-F198 HydrophobicContact CB-CE1 3.76Å; W63-F198 HydrophobicContact CB-CZ 4.41Å; W63-F198 HydrophobicContact CE3-CE1 4.27Å; W63-F198 HydrophobicContact CG-CE1 4.45Å; W63-W203 AromaticContact CH2-CH2 3.83Å; W63-W203 HydrophobicContact CH2-CH2 3.83Å; W63-W203 HydrophobicContact CH2-CZ2 4.49Å; W63-W203 HydrophobicContact CH2-CZ3 4.5Å; W63-W203 HydrophobicContact CZ2-CH2 4.35Å; W63-W203 HydrophobicContact CZ3-CH2 4.39Å; W63-I204 HydrophobicContact CD2-CB 4.45Å; W63-I204 HydrophobicContact CD2-CG2 4.05Å; W63-I204 HydrophobicContact CE3-CG2 4.45Å; W63-I204 HydrophobicContact CG-CB 4.31Å; W63-I204 HydrophobicContact CG-CG2 4.2Å; W63-Y212 AromaticContact CE2-CE1 3.5Å; W63-Y212 AromaticContact CE2-CZ 3.89Å; W63-Y212 HydrophobicContact CH2-CD1 4.46Å; W63-Y212 HydrophobicContact CH2-CE1 4.48Å; W63-Y212 AromaticContact CZ2-CD1 3.66Å; W63-Y212 HydrophobicContact CZ2-CD1 3.66Å; W63-Y212 AromaticContact CZ2-CE1 3.35Å; W63-Y212 HydrophobicContact CZ2-CE1 3.35Å; W63-Y212 HydrophobicContact CZ2-CE2 4.44Å; W63-Y212 HydrophobicContact CZ2-CG 4.32Å; W63-Y212 AromaticContact CZ2-CZ 3.78Å; W63-Y212 AromaticContact NE1-CE1 3.32Å; W63-Y212 VanDerWaalsContact NE1-CE1 3.32Å; W63-Y212 AromaticContact NE1-CZ 3.43Å; W63-Y212 PolarHBondContact NE1-OH 3.22Å; W63-V215 HydrophobicContact CH2-CB 4.1Å; W63-V215 HydrophobicContact CH2-CG1 4.06Å; W63-V215 HydrophobicContact CH2-CG2 3.92Å; W63-V215 HydrophobicContact CZ3-CB 4.36Å; W63-V215 HydrophobicContact CZ3-CG1 3.84Å; W63-V215 HydrophobicContact CZ3-CG2 4.24Å; W63-L271 HydrophobicContact CD2-CD1 3.83Å; W63-L271 HydrophobicContact CE3-CD1 4.06Å; W63-L271 HydrophobicContact CG-CD1 4.4Å; W63-L271 HydrophobicContact CH2-CD1 4.11Å; W63-L271 HydrophobicContact CH2-CD2 4.32Å; W63-L271 HydrophobicContact CZ2-CD1 3.89Å; W63-L271 HydrophobicContact CZ3-CD1 4.21Å; W63-L271 HydrophobicContact CZ3-CD2 4.25Å |
| 64 | V | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 179.4 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | K60 I62 G68 C125 A195 F198 | K60-V64 HydrophobicContact CG-CG2 3.88Å; K60-V64 VanDerWaalsContact O-CB 3.29Å; K60-V64 WeakPolarHBondContact O-CB 3.45Å; K60-V64 WeakPolarHBondContact O-CG2 3.41Å; K60-V64 PolarHBondContact O-N 2.94Å; I62-V64 PolarHBondContact O-N 3.42Å; V64-G68 WeakPolarHBondContact O-CA 3.28Å; V64-G68 PolarHBondContact O-N 3.15Å; V64-C125 HydrophobicContact CG1-CB 4.33Å; V64-C125 WeakPolarHBondContact CG1-SG 3.49Å; V64-A195 HydrophobicContact CG1-CB 4.34Å; V64-F198 HydrophobicContact CG2-CB 3.45Å; V64-F198 VanDerWaalsContact CG2-CB 3.45Å; V64-F198 HydrophobicContact CG2-CD1 3.96Å; V64-F198 HydrophobicContact CG2-CD2 3.78Å; V64-F198 HydrophobicContact CG2-CG 3.45Å; V64-F198 VanDerWaalsContact CG2-CG 3.45Å |
| 65 | A | 95.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 7% | 0.066 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I42 F43 M61 I62 D69 V126 | I42-A65 HydrophobicContact CD1-CB 4.24Å; I42-A65 HydrophobicContact CG2-CB 3.83Å; F43-A65 HydrophobicContact CZ-CB 4.26Å; M61-A65 VanDerWaalsContact O-CB 3.22Å; M61-A65 WeakPolarHBondContact O-CB 3.32Å; M61-A65 PolarHBondContact O-N 3.35Å; I62-A65 PolarHBondContact O-N 3.19Å; A65-D69 WeakPolarHBondContact O-CB 3.23Å; A65-D69 PolarHBondContact O-N 3.38Å; A65-V126 HydrophobicContact CB-CG2 4.37Å |
| 66 | V | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | -179.5 | 162.4 | 0 | 0 | 0 | 0 | 111.4 | I62 W63 W70 L219 N267 A270 L271 | I62-V66 HydrophobicContact CG2-CG2 4.15Å; I62-V66 VanDerWaalsContact O-CB 3.29Å; I62-V66 WeakPolarHBondContact O-CB 3.38Å; I62-V66 VanDerWaalsContact O-CG2 3.27Å; I62-V66 WeakPolarHBondContact O-CG2 3.29Å; I62-V66 PolarHBondContact O-N 3.49Å; W63-V66 PolarHBondContact O-N 3.34Å; V66-W70 WeakPolarHBondContact O-CB 3.21Å; V66-W70 PolarHBondContact O-N 3.32Å; V66-L219 HydrophobicContact CG1-CD1 4.14Å; V66-N267 HydrophobicContact CB-CB 4.43Å; V66-N267 HydrophobicContact CG1-CB 4.06Å; V66-N267 HydrophobicContact CG2-CB 4.18Å; V66-N267 WeakPolarHBondContact CG2-O 3.35Å; V66-A270 HydrophobicContact CG2-CB 4.32Å; V66-L271 HydrophobicContact CG1-CB 4.16Å; V66-L271 HydrophobicContact CG1-CD2 4.12Å; V66-L271 HydrophobicContact CG2-CB 4.27Å |
| 67 | V | 94.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 15.7 Ų | 15.7 | 12% | 0.115 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71.6 | -35.7 | -179.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | W63 W70 F71 F198 | W63-V67 HydrophobicContact CE3-CG2 4.4Å; W63-V67 WeakPolarHBondContact O-CB 2.95Å; W63-V67 WeakPolarHBondContact O-CG2 3.44Å; W63-V67 PolarHBondContact O-N 3.4Å; V67-W70 PolarHBondContact O-N 2.88Å; V67-F71 HydrophobicContact CG1-CD2 3.74Å; V67-F71 HydrophobicContact CG1-CE2 3.54Å; V67-F71 VanDerWaalsContact O-CD2 3.23Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 3.06Å; V67-F198 HydrophobicContact CB-CE2 3.86Å; V67-F198 HydrophobicContact CB-CZ 3.77Å; V67-F198 HydrophobicContact CG1-CE2 3.82Å; V67-F198 HydrophobicContact CG1-CZ 4Å; V67-F198 HydrophobicContact CG2-CE2 4.4Å; V67-F198 HydrophobicContact CG2-CZ 3.8Å |
| 68 | G | 95 | Very high | 94.5 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -51.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V64 W70 F71 N72 M121 | V64-G68 WeakPolarHBondContact O-CA 3.28Å; V64-G68 PolarHBondContact O-N 3.15Å; G68-W70 VanDerWaalsContact C-N 3.28Å; G68-W70 PolarHBondContact O-N 3.49Å; G68-F71 PolarHBondContact O-N 3.49Å; G68-F71 VanDerWaalsContact O-N 3.17Å; G68-N72 PolarHBondContact O-N 3.33Å; G68-M121 WeakPolarHBondContact O-CE 3.22Å |
| 69 | D | 93.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.1 | -30 | 179.3 | -163.5 | 42 | 0 | 0 | 0 | 112 | A65 N72 L73 R266 N267 | A65-D69 WeakPolarHBondContact O-CB 3.23Å; A65-D69 PolarHBondContact O-N 3.38Å; D69-N72 WeakPolarHBondContact O-CB 3.36Å; D69-N72 PolarHBondContact O-N 3.33Å; D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 PolarHBondContact O-N 3.32Å; D69-R266 IonicContact OD2-NH2 3.55Å; D69-N267 WeakPolarHBondContact CB-ND2 3.29Å; D69-N267 PolarHBondContact OD2-ND2 2.95Å; D69-N267 PolarHBondContact OD2-OD1 2.92Å |
| 70 | W | 95.4 | Very high | 94.3 | Very high | 20 Ų | 20 | 27.3 Ų | 27.3 | 8% | 0.076 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 169 | -177.2 | 92.5 | 0 | 0 | 0 | 112.6 | V66 V67 G68 N72 L73 I74 L219 F222 | V66-W70 WeakPolarHBondContact O-CB 3.21Å; V66-W70 PolarHBondContact O-N 3.32Å; V67-W70 PolarHBondContact O-N 2.88Å; G68-W70 VanDerWaalsContact C-N 3.28Å; G68-W70 PolarHBondContact O-N 3.49Å; W70-N72 VanDerWaalsContact C-N 3.31Å; W70-N72 PolarHBondContact O-N 3.35Å; W70-L73 WeakPolarHBondContact O-CB 3.47Å; W70-L73 PolarHBondContact O-N 2.8Å; W70-I74 HydrophobicContact CD2-CG1 4.09Å; W70-I74 HydrophobicContact CE3-CG1 4.16Å; W70-I74 HydrophobicContact CH2-CG1 4.04Å; W70-I74 HydrophobicContact CZ2-CD1 4.32Å; W70-I74 HydrophobicContact CZ2-CG1 3.98Å; W70-I74 HydrophobicContact CZ3-CG1 4.13Å; W70-I74 WeakPolarHBondContact O-CG1 3.36Å; W70-I74 PolarHBondContact O-N 3.35Å; W70-L219 HydrophobicContact CD2-CD2 3.71Å; W70-L219 HydrophobicContact CE3-CD2 4.32Å; W70-L219 HydrophobicContact CG-CD2 3.81Å; W70-L219 HydrophobicContact CZ2-CD2 4.16Å; W70-L219 PolarHBondContact NE1-O 3.44Å; W70-L219 VanDerWaalsContact NE1-O 3.12Å; W70-F222 AromaticContact CH2-CD1 3.77Å; W70-F222 HydrophobicContact CH2-CD1 3.77Å; W70-F222 AromaticContact CH2-CE1 3.85Å; W70-F222 HydrophobicContact CH2-CE1 3.85Å; W70-F222 HydrophobicContact CH2-CG 4.2Å; W70-F222 HydrophobicContact CH2-CZ 4.36Å; W70-F222 HydrophobicContact CZ2-CB 3.96Å; W70-F222 AromaticContact CZ2-CD1 3.25Å; W70-F222 HydrophobicContact CZ2-CD1 3.25Å; W70-F222 HydrophobicContact CZ2-CD2 4.5Å; W70-F222 AromaticContact CZ2-CE1 3.81Å; W70-F222 HydrophobicContact CZ2-CE1 3.81Å; W70-F222 AromaticContact CZ2-CG 3.66Å; W70-F222 HydrophobicContact CZ2-CG 3.66Å |
| 71 | F | 95.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 27.2 Ų | 27.2 | 33% | 0.325 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 172.6 | -83.8 | -64.2 | 0 | 0 | 0 | 111.8 | V67 G68 L73 I74 F75 M121 V194 | V67-F71 HydrophobicContact CG1-CD2 3.74Å; V67-F71 HydrophobicContact CG1-CE2 3.54Å; V67-F71 VanDerWaalsContact O-CD2 3.23Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 3.06Å; G68-F71 PolarHBondContact O-N 3.49Å; G68-F71 VanDerWaalsContact O-N 3.17Å; F71-L73 VanDerWaalsContact C-N 3.29Å; F71-L73 PolarHBondContact O-N 3.33Å; F71-I74 PolarHBondContact O-N 2.94Å; F71-F75 HydrophobicContact CB-CD2 4.34Å; F71-F75 HydrophobicContact CB-CE2 4.06Å; F71-F75 HydrophobicContact CD1-CE2 4.2Å; F71-F75 HydrophobicContact CD1-CZ 4.09Å; F71-F75 HydrophobicContact CG-CE2 4.47Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 WeakPolarHBondContact O-CD2 3.13Å; F71-F75 VanDerWaalsContact O-CG 3.31Å; F71-F75 WeakPolarHBondContact O-CG 3.29Å; F71-F75 PolarHBondContact O-N 3.27Å; F71-M121 HydrophobicContact CB-CE 4Å; F71-V194 HydrophobicContact CD2-CG2 4.13Å |
| 72 | N | 94.9 | Very high | 94 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 174.9 | -172 | -99.6 | 0 | 0 | 0 | 111.3 | G68 D69 W70 K76 P116 M121 | G68-N72 PolarHBondContact O-N 3.33Å; D69-N72 WeakPolarHBondContact O-CB 3.36Å; D69-N72 PolarHBondContact O-N 3.33Å; W70-N72 VanDerWaalsContact C-N 3.31Å; W70-N72 PolarHBondContact O-N 3.35Å; N72-K76 WeakPolarHBondContact O-CB 3.03Å; N72-K76 VanDerWaalsContact O-CG 3.29Å; N72-K76 WeakPolarHBondContact O-CG 3.32Å; N72-K76 PolarHBondContact O-N 3.43Å; N72-K76 WeakPolarHBondContact OD1-CD 3.43Å; N72-K76 WeakPolarHBondContact OD1-CE 3.37Å; N72-K76 PolarHBondContact OD1-NZ 3.02Å; N72-P116 PolarHBondContact ND2-O 3.27Å; N72-M121 HydrophobicContact CB-CE 4.42Å; N72-M121 HydrophobicContact CB-SD 3.69Å |
| 73 | L | 93.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -52 | 176.1 | 170.9 | 62.8 | 0 | 0 | 0 | 112.1 | D69 W70 F71 F75 K76 W77 P260 L264 | D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 PolarHBondContact O-N 3.32Å; W70-L73 WeakPolarHBondContact O-CB 3.47Å; W70-L73 PolarHBondContact O-N 2.8Å; F71-L73 VanDerWaalsContact C-N 3.29Å; F71-L73 PolarHBondContact O-N 3.33Å; L73-F75 PolarHBondContact O-N 2.97Å; L73-K76 WeakPolarHBondContact O-CB 3.48Å; L73-K76 PolarHBondContact O-N 3.33Å; L73-W77 HydrophobicContact CD1-CD2 4.09Å; L73-W77 HydrophobicContact CD1-CE3 4.28Å; L73-W77 HydrophobicContact CD1-CH2 3.93Å; L73-W77 HydrophobicContact CD1-CZ2 3.64Å; L73-W77 HydrophobicContact CD1-CZ3 4.23Å; L73-W77 HydrophobicContact CD2-CH2 4.06Å; L73-W77 HydrophobicContact CD2-CZ3 4.25Å; L73-W77 HydrophobicContact CG-CD2 4.46Å; L73-W77 HydrophobicContact CG-CE3 4.18Å; L73-W77 HydrophobicContact CG-CH2 4.04Å; L73-W77 HydrophobicContact CG-CZ2 4.26Å; L73-W77 HydrophobicContact CG-CZ3 3.99Å; L73-W77 PolarHBondContact O-N 3.42Å; L73-P260 HydrophobicContact CD1-CB 3.44Å; L73-P260 VanDerWaalsContact CD1-CB 3.44Å; L73-P260 HydrophobicContact CD1-CG 4.47Å; L73-L264 HydrophobicContact CD2-CB 4.08Å; L73-L264 HydrophobicContact CD2-CD1 4.26Å |
| 74 | I | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | -179.5 | -61.7 | -52.3 | 0 | 0 | 0 | 110.9 | W70 F71 K76 W77 I78 F222 F226 | W70-I74 HydrophobicContact CD2-CG1 4.09Å; W70-I74 HydrophobicContact CE3-CG1 4.16Å; W70-I74 HydrophobicContact CH2-CG1 4.04Å; W70-I74 HydrophobicContact CZ2-CD1 4.32Å; W70-I74 HydrophobicContact CZ2-CG1 3.98Å; W70-I74 HydrophobicContact CZ3-CG1 4.13Å; W70-I74 WeakPolarHBondContact O-CG1 3.36Å; W70-I74 PolarHBondContact O-N 3.35Å; F71-I74 PolarHBondContact O-N 2.94Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 2.8Å; I74-W77 HydrophobicContact CD1-CE3 3.86Å; I74-W77 HydrophobicContact CD1-CZ3 3.82Å; I74-W77 PolarHBondContact O-N 2.94Å; I74-I78 HydrophobicContact CG2-CD1 3.74Å; I74-I78 HydrophobicContact CG2-CG1 4.5Å; I74-I78 WeakPolarHBondContact O-CG1 3.43Å; I74-I78 PolarHBondContact O-N 2.86Å; I74-F222 HydrophobicContact CD1-CD1 3.94Å; I74-F222 HydrophobicContact CD1-CE1 3.84Å; I74-F222 HydrophobicContact CG1-CD1 4.49Å; I74-F222 HydrophobicContact CG1-CE1 4.17Å; I74-F222 HydrophobicContact CG2-CE1 4.44Å; I74-F226 HydrophobicContact CD1-CD1 4.28Å; I74-F226 HydrophobicContact CG2-CE1 4.44Å |
| 75 | F | 94.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 28% | 0.276 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.2 | -34 | 177.6 | -65.7 | -36.5 | 0 | 0 | 0 | 113 | F71 L73 W77 I78 L79 P116 I190 | F71-F75 HydrophobicContact CB-CD2 4.34Å; F71-F75 HydrophobicContact CB-CE2 4.06Å; F71-F75 HydrophobicContact CD1-CE2 4.2Å; F71-F75 HydrophobicContact CD1-CZ 4.09Å; F71-F75 HydrophobicContact CG-CE2 4.47Å; F71-F75 WeakPolarHBondContact O-CB 3.37Å; F71-F75 WeakPolarHBondContact O-CD2 3.13Å; F71-F75 VanDerWaalsContact O-CG 3.31Å; F71-F75 WeakPolarHBondContact O-CG 3.29Å; F71-F75 PolarHBondContact O-N 3.27Å; L73-F75 PolarHBondContact O-N 2.97Å; F75-W77 VanDerWaalsContact C-N 3.28Å; F75-W77 PolarHBondContact O-N 2.97Å; F75-I78 HydrophobicContact CD1-CD1 4.34Å; F75-I78 PolarHBondContact O-N 2.97Å; F75-L79 HydrophobicContact CB-CD1 4.32Å; F75-L79 VanDerWaalsContact O-CB 3.29Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 VanDerWaalsContact O-CG 3.3Å; F75-L79 WeakPolarHBondContact O-CG 3.39Å; F75-L79 PolarHBondContact O-N 3.43Å; F75-P116 HydrophobicContact CB-CG 4.08Å; F75-P116 HydrophobicContact CD2-CG 4.46Å; F75-I190 HydrophobicContact CD2-CD1 3.86Å; F75-I190 HydrophobicContact CD2-CG2 4.32Å; F75-I190 HydrophobicContact CE2-CD1 3.97Å; F75-I190 HydrophobicContact CE2-CG2 3.82Å |
| 76 | K | 92.8 | Very high | 93.5 | Very high | 29 Ų | 29 | 29 Ų | 29 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | 173.5 | -86.1 | 173.9 | 173 | 164.9 | 0 | 112.9 | N72 L73 I74 Y80 P113 S115 P116 | N72-K76 WeakPolarHBondContact O-CB 3.03Å; N72-K76 VanDerWaalsContact O-CG 3.29Å; N72-K76 WeakPolarHBondContact O-CG 3.32Å; N72-K76 PolarHBondContact O-N 3.43Å; N72-K76 WeakPolarHBondContact OD1-CD 3.43Å; N72-K76 WeakPolarHBondContact OD1-CE 3.37Å; N72-K76 PolarHBondContact OD1-NZ 3.02Å; L73-K76 WeakPolarHBondContact O-CB 3.48Å; L73-K76 PolarHBondContact O-N 3.33Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 2.8Å; K76-Y80 PolarHBondContact O-N 3.14Å; K76-P113 HydrophobicContact CB-CB 3.98Å; K76-P113 HydrophobicContact CB-CG 4.05Å; K76-P113 WeakPolarHBondContact CE-O 3.28Å; K76-P113 HydrophobicContact CG-CB 4.18Å; K76-P113 WeakPolarHBondContact O-CB 3.08Å; K76-S115 VanDerWaalsContact CA-O 3.24Å; K76-S115 WeakPolarHBondContact CA-O 3.24Å; K76-S115 WeakPolarHBondContact CG-O 3.47Å; K76-P116 WeakPolarHBondContact CE-O 3.2Å |
| 77 | W | 91.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.2 | -39.6 | 175.6 | -70.6 | -31.5 | 0 | 0 | 0 | 112.7 | L73 I74 F75 A223 F226 Y227 L230 P260 F261 | L73-W77 HydrophobicContact CD1-CD2 4.09Å; L73-W77 HydrophobicContact CD1-CE3 4.28Å; L73-W77 HydrophobicContact CD1-CH2 3.93Å; L73-W77 HydrophobicContact CD1-CZ2 3.64Å; L73-W77 HydrophobicContact CD1-CZ3 4.23Å; L73-W77 HydrophobicContact CD2-CH2 4.06Å; L73-W77 HydrophobicContact CD2-CZ3 4.25Å; L73-W77 HydrophobicContact CG-CD2 4.46Å; L73-W77 HydrophobicContact CG-CE3 4.18Å; L73-W77 HydrophobicContact CG-CH2 4.04Å; L73-W77 HydrophobicContact CG-CZ2 4.26Å; L73-W77 HydrophobicContact CG-CZ3 3.99Å; L73-W77 PolarHBondContact O-N 3.42Å; I74-W77 HydrophobicContact CD1-CE3 3.86Å; I74-W77 HydrophobicContact CD1-CZ3 3.82Å; I74-W77 PolarHBondContact O-N 2.94Å; F75-W77 VanDerWaalsContact C-N 3.28Å; F75-W77 PolarHBondContact O-N 2.97Å; W77-A223 HydrophobicContact CH2-CB 4.32Å; W77-A223 HydrophobicContact CZ3-CB 4.23Å; W77-F226 HydrophobicContact CB-CD1 4.41Å; W77-F226 HydrophobicContact CB-CE1 3.82Å; W77-F226 HydrophobicContact CD2-CD1 4.42Å; W77-F226 AromaticContact CE3-CD1 3.56Å; W77-F226 HydrophobicContact CE3-CD1 3.56Å; W77-F226 HydrophobicContact CE3-CE1 4.09Å; W77-F226 HydrophobicContact CZ3-CD1 4.14Å; W77-Y227 HydrophobicContact CZ2-CD2 4.5Å; W77-L230 HydrophobicContact CB-CD1 3.74Å; W77-L230 HydrophobicContact CD2-CD1 4.46Å; W77-L230 HydrophobicContact CG-CD1 4.08Å; W77-P260 HydrophobicContact CZ2-CB 4.18Å; W77-F261 HydrophobicContact CZ2-CZ 4.47Å |
| 78 | I | 92.6 | Very high | 93.3 | Very high | 96 Ų | 96 | 28.8 Ų | 28.8 | 49% | 0.492 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69.1 | -46.1 | 179 | -67.4 | 167.5 | 0 | 0 | 0 | 112.1 | I74 F75 F226 | I74-I78 HydrophobicContact CG2-CD1 3.74Å; I74-I78 HydrophobicContact CG2-CG1 4.5Å; I74-I78 WeakPolarHBondContact O-CG1 3.43Å; I74-I78 PolarHBondContact O-N 2.86Å; F75-I78 HydrophobicContact CD1-CD1 4.34Å; F75-I78 PolarHBondContact O-N 2.97Å; I78-F226 HydrophobicContact CD1-CZ 4.12Å; I78-F226 HydrophobicContact CG1-CE1 4.08Å; I78-F226 HydrophobicContact CG1-CZ 3.57Å |
| 79 | L | 92.4 | Very high | 93 | Very high | 83 Ų | 83 | 31.5 Ų | 31.5 | 44% | 0.435 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -83.9 | -15.6 | -169.6 | -64.5 | 176.8 | 0 | 0 | 0 | 113.6 | F75 G81 L186 | F75-L79 HydrophobicContact CB-CD1 4.32Å; F75-L79 VanDerWaalsContact O-CB 3.29Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 VanDerWaalsContact O-CG 3.3Å; F75-L79 WeakPolarHBondContact O-CG 3.39Å; F75-L79 PolarHBondContact O-N 3.43Å; L79-G81 PolarHBondContact O-N 3.42Å; L79-L186 HydrophobicContact CD1-CD2 3.79Å |
| 80 | Y | 89.8 | Confident | 92.7 | Very high | 89 Ų | 89 | 33 Ų | 33 | 35% | 0.349 | 15% | 0.154 | S | C | . | . | trans | 48.2 | 41.9 | 176.4 | -148.4 | -93 | 0 | 0 | 0 | 113.1 | K76 Q82 W239 | K76-Y80 PolarHBondContact O-N 3.14Å; Y80-Q82 PolarHBondContact O-N 2.94Å; Y80-W239 HydrophobicContact CD1-CD2 4.3Å; Y80-W239 AromaticContact CD1-CE2 3.73Å; Y80-W239 HydrophobicContact CD1-CH2 4.21Å; Y80-W239 AromaticContact CD1-CZ2 3.67Å; Y80-W239 HydrophobicContact CD1-CZ2 3.67Å; Y80-W239 AromaticContact CD2-CD1 3.89Å; Y80-W239 AromaticContact CD2-CE2 3.9Å; Y80-W239 HydrophobicContact CD2-CZ2 4.39Å; Y80-W239 AromaticContact CD2-NE1 3.35Å; Y80-W239 AromaticContact CE1-CD2 3.57Å; Y80-W239 HydrophobicContact CE1-CD2 3.57Å; Y80-W239 AromaticContact CE1-CE2 3.47Å; Y80-W239 VanDerWaalsContact CE1-CE2 3.47Å; Y80-W239 HydrophobicContact CE1-CE3 4Å; Y80-W239 HydrophobicContact CE1-CG 4Å; Y80-W239 HydrophobicContact CE1-CH2 4.19Å; Y80-W239 AromaticContact CE1-CZ2 3.79Å; Y80-W239 HydrophobicContact CE1-CZ2 3.79Å; Y80-W239 HydrophobicContact CE1-CZ3 4.3Å; Y80-W239 AromaticContact CE1-NE1 3.83Å; Y80-W239 AromaticContact CE2-CD1 3.13Å; Y80-W239 AromaticContact CE2-CD2 3.99Å; Y80-W239 HydrophobicContact CE2-CD2 3.99Å; Y80-W239 AromaticContact CE2-CE2 3.66Å; Y80-W239 AromaticContact CE2-CG 3.66Å; Y80-W239 HydrophobicContact CE2-CG 3.66Å; Y80-W239 AromaticContact CE2-NE1 3.08Å; Y80-W239 AromaticContact CG-CE2 3.95Å; Y80-W239 AromaticContact CG-CZ2 4Å; Y80-W239 HydrophobicContact CG-CZ2 4Å; Y80-W239 AromaticContact CG-NE1 3.86Å; Y80-W239 AromaticContact CZ-CD1 3.31Å; Y80-W239 AromaticContact CZ-CD2 3.39Å; Y80-W239 AromaticContact CZ-CE2 3.44Å; Y80-W239 VanDerWaalsContact CZ-CE2 3.44Å; Y80-W239 AromaticContact CZ-CG 3.29Å; Y80-W239 AromaticContact CZ-NE1 3.35Å; Y80-W239 WeakPolarHBondContact OH-CB 3.46Å | ||
| 81 | G | 91.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | trans | -70.1 | 130 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L79 G114 | L79-G81 PolarHBondContact O-N 3.42Å; G81-G114 PolarHBondContact O-N 3Å | ||
| 82 | Q | 93.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | trans | -73.1 | 154.2 | 172.3 | -62.4 | -67.6 | -14.2 | 0 | 0 | 111.3 | Y80 W87 Q183 | Y80-Q82 PolarHBondContact O-N 2.94Å; Q82-W87 HydrophobicContact CB-CB 4.19Å; Q82-W87 HydrophobicContact CB-CG 4.26Å; Q82-Q183 PolarHBondContact O-NE2 3.1Å | ||
| 83 | R | 94.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | trans | -104.9 | 148.1 | 169.8 | -67.3 | -173.8 | -174.4 | -111.6 | 8.3 | 110.9 | Y85 W86 W87 E110 G112 T178 | R83-Y85 HydrophobicContact CB-CD1 3.96Å; R83-Y85 HydrophobicContact CB-CE1 3.97Å; R83-Y85 HydrophobicContact CG-CE1 4.49Å; R83-Y85 PolarHBondContact O-N 3.45Å; R83-W86 HydrophobicContact CB-CD2 3.8Å; R83-W86 HydrophobicContact CB-CE3 4.07Å; R83-W86 HydrophobicContact CB-CH2 3.79Å; R83-W86 HydrophobicContact CB-CZ2 3.52Å; R83-W86 HydrophobicContact CB-CZ3 4.06Å; R83-W86 HydrophobicContact CG-CD2 4.49Å; R83-W86 HydrophobicContact CG-CE3 4.5Å; R83-W86 HydrophobicContact CG-CH2 3.38Å; R83-W86 HydrophobicContact CG-CZ2 3.38Å; R83-W86 HydrophobicContact CG-CZ3 3.99Å; R83-W86 PolarHBondContact O-N 3.49Å; R83-W87 WeakPolarHBondContact O-CB 3.43Å; R83-W87 PolarHBondContact O-N 3.28Å; R83-E110 VanDerWaalsContact CZ-CB 3.43Å; R83-E110 IonicContact CZ-OE2 2.73Å; R83-E110 IonicContact NH1-OE2 3.19Å; R83-E110 PolarHBondContact NH1-OE2 2.85Å; R83-E110 IonicContact NH2-OE2 3.18Å; R83-E110 PolarHBondContact NH2-OE2 3.49Å; R83-G112 VanDerWaalsContact CZ-O 3.29Å; R83-G112 PolarHBondContact NE-O 3.5Å; R83-G112 PolarHBondContact NH2-O 3.41Å; R83-T178 WeakPolarHBondContact CD-O 3.44Å; R83-T178 WeakPolarHBondContact CG-O 3.34Å; R83-T178 PolarHBondContact NH1-O 3.48Å; R83-T178 VanDerWaalsContact NH1-O 3.11Å | ||
| 84 | P | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.7 | -48.3 | -177.2 | -23.1 | 29.9 | 0 | 0 | 0 | 113.7 | I16 W86 W87 V88 L102 A177 F180 | I16-P84 HydrophobicContact CD1-CB 3.39Å; I16-P84 HydrophobicContact CD1-CG 3.44Å; I16-P84 VanDerWaalsContact CD1-CG 3.44Å; P84-W86 VanDerWaalsContact C-N 3.31Å; P84-W86 PolarHBondContact O-N 2.81Å; P84-W87 PolarHBondContact O-N 3.46Å; P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 3.49Å; P84-L102 HydrophobicContact CB-CD1 3.84Å; P84-A177 HydrophobicContact CB-CB 4.44Å; P84-A177 WeakPolarHBondContact CD-O 3.46Å; P84-F180 HydrophobicContact CB-CD1 4.41Å; P84-F180 HydrophobicContact CB-CE1 3.94Å; P84-F180 HydrophobicContact CB-CZ 4.02Å; P84-F180 HydrophobicContact CG-CD1 3.84Å; P84-F180 HydrophobicContact CG-CD2 4.08Å; P84-F180 HydrophobicContact CG-CE1 3.83Å; P84-F180 HydrophobicContact CG-CE2 4.08Å; P84-F180 HydrophobicContact CG-CG 3.98Å; P84-F180 HydrophobicContact CG-CZ 3.97Å |
| 85 | Y | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -29.5 | -171.2 | 77.4 | -94.4 | 0 | 0 | 0 | 114.5 | R83 H89 T108 E110 A177 A244 W247 | R83-Y85 HydrophobicContact CB-CD1 3.96Å; R83-Y85 HydrophobicContact CB-CE1 3.97Å; R83-Y85 HydrophobicContact CG-CE1 4.49Å; R83-Y85 PolarHBondContact O-N 3.45Å; Y85-H89 PolarHBondContact O-CD2 3.48Å; Y85-T108 HydrophobicContact CD1-CG2 3.83Å; Y85-T108 HydrophobicContact CE1-CG2 4.39Å; Y85-T108 WeakPolarHBondContact CE1-O 3.37Å; Y85-T108 HydrophobicContact CG-CG2 4Å; Y85-E110 PolarHBondContact OH-O 3.04Å; Y85-A177 PolarHBondContact N-O 3.42Å; Y85-A244 WeakPolarHBondContact OH-CA 3.5Å; Y85-A244 WeakPolarHBondContact OH-CB 3.15Å; Y85-W247 HydrophobicContact CD2-CB 4.34Å; Y85-W247 HydrophobicContact CE2-CB 4.32Å |
| 86 | W | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -96.7 | -29.6 | 173.6 | 64 | 62.8 | 0 | 0 | 0 | 112.6 | R83 P84 V88 H89 E90 W239 K243 A244 W247 | R83-W86 HydrophobicContact CB-CD2 3.8Å; R83-W86 HydrophobicContact CB-CE3 4.07Å; R83-W86 HydrophobicContact CB-CH2 3.79Å; R83-W86 HydrophobicContact CB-CZ2 3.52Å; R83-W86 HydrophobicContact CB-CZ3 4.06Å; R83-W86 HydrophobicContact CG-CD2 4.49Å; R83-W86 HydrophobicContact CG-CE3 4.5Å; R83-W86 HydrophobicContact CG-CH2 3.38Å; R83-W86 HydrophobicContact CG-CZ2 3.38Å; R83-W86 HydrophobicContact CG-CZ3 3.99Å; R83-W86 PolarHBondContact O-N 3.49Å; P84-W86 VanDerWaalsContact C-N 3.31Å; P84-W86 PolarHBondContact O-N 2.81Å; W86-V88 VanDerWaalsContact C-N 3.3Å; W86-V88 PolarHBondContact O-N 3.04Å; W86-H89 PolarHBondContact O-N 3.3Å; W86-H89 VanDerWaalsContact O-N 3.11Å; W86-E90 WeakPolarHBondContact O-CG 3.46Å; W86-E90 PolarHBondContact O-N 2.9Å; W86-W239 HydrophobicContact CZ2-CH2 4.19Å; W86-W239 HydrophobicContact CZ2-CZ3 4.32Å; W86-K243 HydrophobicContact CD2-CB 3.97Å; W86-K243 HydrophobicContact CE3-CB 4.08Å; W86-K243 HydrophobicContact CG-CB 4.2Å; W86-A244 HydrophobicContact CZ3-CB 4.12Å; W86-W247 HydrophobicContact CB-CB 3.77Å; W86-W247 HydrophobicContact CB-CG 3.83Å |
| 87 | W | 93.6 | Very high | 87.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | -176.3 | 179.5 | 80.2 | 0 | 0 | 0 | 112.1 | H9 V13 Q82 R83 P84 H89 E90 T91 L93 F94 F180 | H9-W87 HydrophobicContact CB-CD2 3.87Å; H9-W87 HydrophobicContact CB-CE3 3.97Å; H9-W87 HydrophobicContact CB-CH2 3.46Å; H9-W87 VanDerWaalsContact CB-CH2 3.46Å; H9-W87 HydrophobicContact CB-CZ2 3.35Å; H9-W87 HydrophobicContact CB-CZ3 3.78Å; H9-W87 AromaticContact CG-CE2 3.88Å; H9-W87 AromaticContact ND1-CD1 3.91Å; H9-W87 AromaticContact ND1-CE2 3.57Å; H9-W87 AromaticContact ND1-CZ2 3.98Å; H9-W87 AromaticContact ND1-NE1 3.35Å; H9-W87 PolarHBondContact ND1-NE1 3.5Å; V13-W87 HydrophobicContact CG2-CE3 3.86Å; V13-W87 HydrophobicContact CG2-CZ3 3.71Å; Q82-W87 HydrophobicContact CB-CB 4.19Å; Q82-W87 HydrophobicContact CB-CG 4.26Å; R83-W87 WeakPolarHBondContact O-CB 3.43Å; R83-W87 PolarHBondContact O-N 3.28Å; P84-W87 PolarHBondContact O-N 3.46Å; W87-H89 PolarHBondContact O-N 3.46Å; W87-E90 PolarHBondContact O-N 3.4Å; W87-T91 HydrophobicContact CE3-CG2 4.41Å; W87-T91 HydrophobicContact CH2-CG2 4.15Å; W87-T91 HydrophobicContact CZ2-CG2 4.23Å; W87-T91 HydrophobicContact CZ3-CG2 4.24Å; W87-T91 WeakPolarHBondContact O-CB 3.48Å; W87-T91 WeakPolarHBondContact O-CG2 3.19Å; W87-T91 PolarHBondContact O-N 2.92Å; W87-L93 HydrophobicContact CH2-CD1 3.92Å; W87-L93 HydrophobicContact CZ2-CD1 3.95Å; W87-F94 HydrophobicContact CH2-CE2 4.38Å; W87-F94 HydrophobicContact CZ3-CE2 4.04Å; W87-F180 HydrophobicContact CB-CE2 4.48Å; W87-F180 HydrophobicContact CB-CZ 4.2Å; W87-F180 HydrophobicContact CD2-CZ 4.13Å; W87-F180 HydrophobicContact CE3-CZ 4.04Å; W87-F180 HydrophobicContact CG-CZ 4.21Å |
| 88 | V | 91.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -25.9 | 177.3 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | V13 P84 W86 P100 L102 | V13-V88 HydrophobicContact CB-CG1 4.47Å; V13-V88 HydrophobicContact CG1-CG1 4Å; V13-V88 HydrophobicContact CG2-CG1 3.53Å; P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 3.49Å; W86-V88 VanDerWaalsContact C-N 3.3Å; W86-V88 PolarHBondContact O-N 3.04Å; V88-P100 HydrophobicContact CB-CG 4.22Å; V88-P100 HydrophobicContact CG1-CG 3.92Å; V88-L102 HydrophobicContact CG1-CD1 3.76Å; V88-L102 HydrophobicContact CG1-CG 4.35Å; V88-L102 HydrophobicContact CG2-CD1 4.23Å |
| 89 | H | 88.9 | Confident | 87.1 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -88.1 | -31.6 | 179.7 | -66.3 | -67.2 | 0 | 0 | 0 | 113.3 | Y85 W86 W87 K99 W247 | Y85-H89 PolarHBondContact O-CD2 3.48Å; W86-H89 PolarHBondContact O-N 3.3Å; W86-H89 VanDerWaalsContact O-N 3.11Å; W87-H89 PolarHBondContact O-N 3.46Å; H89-K99 PolarHBondContact O-NZ 3.07Å; H89-W247 HydrophobicContact CB-CD2 3.75Å; H89-W247 HydrophobicContact CB-CE3 3.55Å; H89-W247 HydrophobicContact CB-CH2 3.54Å; H89-W247 HydrophobicContact CB-CZ2 3.7Å; H89-W247 HydrophobicContact CB-CZ3 3.45Å; H89-W247 VanDerWaalsContact CB-CZ3 3.45Å; H89-W247 AromaticContact CD2-CE3 3.51Å; H89-W247 AromaticContact CG-CE3 3.45Å; H89-W247 VanDerWaalsContact CG-CE3 3.45Å; H89-W247 AromaticContact CG-CZ3 3.51Å; H89-W247 AromaticContact ND1-CZ3 3.85Å |
| 90 | E | 88.4 | Confident | 86.8 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -88.7 | -27.9 | -173.8 | -69.1 | -78.1 | 169.9 | 0 | 0 | 113.3 | W86 W87 K243 W247 | W86-E90 WeakPolarHBondContact O-CG 3.46Å; W86-E90 PolarHBondContact O-N 2.9Å; W87-E90 PolarHBondContact O-N 3.4Å; E90-K243 HydrophobicContact CG-CD 4.39Å; E90-K243 IonicContact OE1-NZ 2.73Å; E90-K243 PolarHBondContact OE1-NZ 3.09Å; E90-K243 IonicContact OE2-NZ 2.72Å; E90-K243 PolarHBondContact OE2-NZ 3.49Å; E90-W247 HydrophobicContact CG-CZ2 4.47Å; E90-W247 PolarHBondContact OE1-NE1 2.92Å |
| 91 | T | 87.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | trans | -67.6 | 136.5 | -177.3 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | W87 L93 F94 | W87-T91 HydrophobicContact CE3-CG2 4.41Å; W87-T91 HydrophobicContact CH2-CG2 4.15Å; W87-T91 HydrophobicContact CZ2-CG2 4.23Å; W87-T91 HydrophobicContact CZ3-CG2 4.24Å; W87-T91 WeakPolarHBondContact O-CB 3.48Å; W87-T91 WeakPolarHBondContact O-CG2 3.19Å; W87-T91 PolarHBondContact O-N 2.92Å; T91-L93 HydrophobicContact CG2-CB 4.25Å; T91-L93 PolarHBondContact O-N 3.41Å; T91-L93 WeakPolarHBondContact OG1-CD1 3.26Å; T91-L93 VanDerWaalsContact OG1-CG 3.26Å; T91-L93 WeakPolarHBondContact OG1-CG 3.32Å; T91-L93 PolarHBondContact OG1-N 3.41Å; T91-F94 HydrophobicContact CG2-CD2 3.35Å; T91-F94 HydrophobicContact CG2-CE2 3.66Å; T91-F94 HydrophobicContact CG2-CG 4.41Å | ||
| 92 | H | 84.3 | Confident | 86.8 | Confident | 142 Ų | 142 | 58 Ų | 58 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -70 | -14.1 | 175.7 | -62.3 | -68.2 | 0 | 0 | 0 | 113 | F94 Q95 | H92-F94 PolarHBondContact O-N 3.5Å; H92-Q95 PolarHBondContact ND1-NE2 2.7Å; H92-Q95 PolarHBondContact O-N 3.14Å |
| 93 | L | 83.2 | Confident | 86.7 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -63 | -26.9 | -174.8 | -61.1 | 170.1 | 0 | 0 | 0 | 113.5 | D6 W87 T91 | D6-L93 HydrophobicContact CB-CD1 3.8Å; W87-L93 HydrophobicContact CH2-CD1 3.92Å; W87-L93 HydrophobicContact CZ2-CD1 3.95Å; T91-L93 HydrophobicContact CG2-CB 4.25Å; T91-L93 PolarHBondContact O-N 3.41Å; T91-L93 WeakPolarHBondContact OG1-CD1 3.26Å; T91-L93 VanDerWaalsContact OG1-CG 3.26Å; T91-L93 WeakPolarHBondContact OG1-CG 3.32Å; T91-L93 PolarHBondContact OG1-N 3.41Å |
| 94 | F | 80.1 | Confident | 86.6 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -110.4 | 21.6 | -178.3 | -52.7 | -62.8 | 0 | 0 | 0 | 112.8 | T10 W87 T91 H92 N96 K99 P100 | T10-F94 HydrophobicContact CG2-CZ 4.44Å; W87-F94 HydrophobicContact CH2-CE2 4.38Å; W87-F94 HydrophobicContact CZ3-CE2 4.04Å; T91-F94 HydrophobicContact CG2-CD2 3.35Å; T91-F94 HydrophobicContact CG2-CE2 3.66Å; T91-F94 HydrophobicContact CG2-CG 4.41Å; H92-F94 PolarHBondContact O-N 3.5Å; F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.34Å; F94-K99 HydrophobicContact CB-CG 4.05Å; F94-P100 HydrophobicContact CD2-CG 4.1Å; F94-P100 HydrophobicContact CE1-CG 4.36Å; F94-P100 HydrophobicContact CE2-CG 3.77Å; F94-P100 HydrophobicContact CZ-CG 3.92Å |
| 95 | Q | 74.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 61 Ų | 61 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -66.5 | -33.9 | 177.3 | -78 | -177.4 | -17.7 | 0 | 0 | 113 | H92 | H92-Q95 PolarHBondContact ND1-NE2 2.7Å; H92-Q95 PolarHBondContact O-N 3.14Å |
| 96 | N | 74.6 | Confident | 86.2 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 87% | 0.872 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -102 | 2.7 | -176.8 | -64 | -20.4 | 0 | 0 | 0 | 113.6 | F94 | F94-N96 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 3.34Å |
| 97 | S | 76.1 | Confident | 85.9 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -130 | 164 | -176.9 | -60 | 0 | 0 | 0 | 0 | 110.1 | K99 | S97-K99 PolarHBondContact O-N 3Š|
| 98 | S | 80.8 | Confident | 85.7 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 127 | 170 | 47 | 0 | 0 | 0 | 0 | 110 | ||
| 99 | K | 85.3 | Confident | 85.5 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 134.3 | 176.7 | -64.5 | -172.3 | -178.7 | -172.2 | 0 | 109.2 | H89 F94 S97 H101 | H89-K99 PolarHBondContact O-NZ 3.07Å; F94-K99 HydrophobicContact CB-CG 4.05Å; S97-K99 PolarHBondContact O-N 3Å; K99-H101 PolarHBondContact O-N 3.49Å |
| 100 | P | 87.3 | Confident | 85.3 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 126.1 | 177.2 | 24.3 | -31 | 0 | 0 | 0 | 109.8 | V13 Q17 V88 F94 | V13-P100 HydrophobicContact CG1-CB 3.71Å; V13-P100 HydrophobicContact CG1-CG 3.68Å; Q17-P100 VanDerWaalsContact NE2-CB 3.32Å; V88-P100 HydrophobicContact CB-CG 4.22Å; V88-P100 HydrophobicContact CG1-CG 3.92Å; F94-P100 HydrophobicContact CD2-CG 4.1Å; F94-P100 HydrophobicContact CE1-CG 4.36Å; F94-P100 HydrophobicContact CE2-CG 3.77Å; F94-P100 HydrophobicContact CZ-CG 3.92Å |
| 101 | H | 88.8 | Confident | 85.2 | Confident | 140 Ų | 140 | 61.7 Ų | 61.7 | 65% | 0.648 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 133.5 | 174.3 | -171.6 | 67.7 | 0 | 0 | 0 | 109.9 | Q17 K99 D103 | Q17-H101 PolarHBondContact NE2-O 3.24Å; Q17-H101 VanDerWaalsContact NE2-O 3.1Å; K99-H101 PolarHBondContact O-N 3.49Å; H101-D103 IonicContact CD2-OD1 3.84Å; H101-D103 IonicContact NE2-OD1 3.53Å |
| 102 | L | 92 | Very high | 85.1 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | trans | -124.8 | 126.4 | 174.1 | -63.4 | -177.1 | 0 | 0 | 0 | 108.4 | V13 I16 Q17 P84 V88 A177 | V13-L102 HydrophobicContact CG1-CD2 4.22Å; I16-L102 HydrophobicContact CB-CD2 4.06Å; I16-L102 HydrophobicContact CG2-CD2 3.67Å; Q17-L102 HydrophobicContact CG-CD2 3.7Å; P84-L102 HydrophobicContact CB-CD1 3.84Å; V88-L102 HydrophobicContact CG1-CD1 3.76Å; V88-L102 HydrophobicContact CG1-CG 4.35Å; V88-L102 HydrophobicContact CG2-CD1 4.23Å; L102-A177 HydrophobicContact CB-CB 4.23Å; L102-A177 HydrophobicContact CD1-CB 4.29Å | ||
| 103 | D | 91.4 | Very high | 85.4 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | trans | -66.8 | 134.6 | 176 | -71.5 | -30.4 | 0 | 0 | 0 | 110.1 | Q20 H101 F105 | Q20-D103 PolarHBondContact NE2-O 2.94Å; Q20-D103 VanDerWaalsContact NE2-O 3.08Å; H101-D103 IonicContact CD2-OD1 3.84Å; H101-D103 IonicContact NE2-OD1 3.53Å; D103-F105 HydrophobicContact CB-CE2 4.04Å; D103-F105 HydrophobicContact CB-CZ 4.1Å | ||
| 104 | Q | 91.6 | Very high | 85.7 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | trans | -106.8 | 143.6 | 172.8 | -60.7 | -170 | 24.8 | 0 | 0 | 110.7 | T108 W247 A249 W253 | Q104-T108 HydrophobicContact CB-CG2 4.14Å; Q104-T108 HydrophobicContact CG-CG2 4.05Å; Q104-W247 PolarHBondContact NE2-O 2.92Å; Q104-A249 HydrophobicContact CB-CB 4.25Å; Q104-W253 HydrophobicContact CB-CZ3 4.04Å | ||
| 105 | F | 90.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | trans | -122.7 | 169.3 | -180 | -56.1 | -91.8 | 0 | 0 | 0 | 110.2 | N27 D103 I107 T108 F175 I176 | N27-F105 WeakPolarHBondContact OD1-CE1 3.4Å; D103-F105 HydrophobicContact CB-CE2 4.04Å; D103-F105 HydrophobicContact CB-CZ 4.1Å; F105-I107 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact N-OG1 3.47Å; F105-T108 VanDerWaalsContact O-CB 3.25Å; F105-T108 WeakPolarHBondContact O-CB 3.08Å; F105-T108 PolarHBondContact O-N 2.96Å; F105-T108 PolarHBondContact O-OG1 2.84Å; F105-F175 HydrophobicContact CE1-CE1 4.26Å; F105-F175 HydrophobicContact CE2-CD1 4.31Å; F105-F175 HydrophobicContact CE2-CE1 4.03Å; F105-F175 HydrophobicContact CZ-CD1 4.3Å; F105-F175 AromaticContact CZ-CE1 3.57Å; F105-F175 HydrophobicContact CZ-CE1 3.57Å; F105-F175 HydrophobicContact CZ-CZ 4.18Å; F105-I176 HydrophobicContact CD2-CB 3.86Å; F105-I176 HydrophobicContact CD2-CG2 3.9Å; F105-I176 HydrophobicContact CE2-CB 4.42Å; F105-I176 HydrophobicContact CE2-CG2 4.33Å; F105-I176 HydrophobicContact CG-CG2 4.34Å | ||
| 106 | H | 86.9 | Confident | 87.4 | Confident | 99 Ų | 99 | 43.1 Ų | 43.1 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24 | 179.9 | 71.6 | -73.4 | 0 | 0 | 0 | 115.1 | W253 | H106-W253 HydrophobicContact CB-CD2 4.48Å; H106-W253 HydrophobicContact CB-CG 4.4Å |
| 107 | I | 86 | Confident | 88.3 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 19% | 0.185 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 7.6 | 176.4 | 52.8 | 168.5 | 0 | 0 | 0 | 113.7 | F105 I176 T178 | F105-I107 PolarHBondContact O-N 3.36Å; I107-I176 HydrophobicContact CD1-CD1 3.55Å; I107-I176 HydrophobicContact CD1-CG2 4.37Å; I107-I176 HydrophobicContact CG1-CD1 3.89Å; I107-T178 WeakPolarHBondContact O-CG2 3.34Å |
| 108 | T | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -37.7 | -176.6 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | Y85 Q104 F105 E110 I176 T178 | Y85-T108 HydrophobicContact CD1-CG2 3.83Å; Y85-T108 HydrophobicContact CE1-CG2 4.39Å; Y85-T108 WeakPolarHBondContact CE1-O 3.37Å; Y85-T108 HydrophobicContact CG-CG2 4Å; Q104-T108 HydrophobicContact CB-CG2 4.14Å; Q104-T108 HydrophobicContact CG-CG2 4.05Å; F105-T108 PolarHBondContact N-OG1 3.47Å; F105-T108 VanDerWaalsContact O-CB 3.25Å; F105-T108 WeakPolarHBondContact O-CB 3.08Å; F105-T108 PolarHBondContact O-N 2.96Å; F105-T108 PolarHBondContact O-OG1 2.84Å; T108-E110 PolarHBondContact O-N 2.84Å; T108-I176 VanDerWaalsContact CG2-O 3.24Å; T108-I176 WeakPolarHBondContact CG2-O 3.21Å; T108-I176 PolarHBondContact OG1-O 2.8Å; T108-T178 VanDerWaalsContact CA-CG2 3.48Å; T108-T178 HydrophobicContact CG2-CG2 4.36Å; T108-T178 WeakPolarHBondContact O-CG2 3.09Å |
| 109 | C | 87.8 | Confident | 89.7 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | trans | -84.4 | 50.4 | -170.2 | -57.2 | 0 | 0 | 0 | 0 | 114 | C248 W253 I254 | C109-C248 HydrophobicContact CB-CB 3.71Å; C109-C248 WeakPolarHBondContact CB-SG 3.46Å; C109-C248 WeakPolarHBondContact SG-CA 3.41Å; C109-C248 WeakPolarHBondContact SG-CB 3.24Å; C109-C248 CovalentContact SG-SG 2.02Å; C109-C248 PolarHBondContact SG-SG 3.14Å; C109-W253 HydrophobicContact CB-CB 4.15Å; C109-I254 HydrophobicContact CB-CG1 4.31Å | ||
| 110 | E | 86.2 | Confident | 90.2 | Very high | 21 Ų | 21 | 22.8 Ų | 22.8 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | trans | -65.4 | 140.9 | 170.3 | -69.4 | -173.2 | 176.4 | 0 | 0 | 111.2 | R83 Y85 T108 H119 R173 H179 T258 | R83-E110 VanDerWaalsContact CZ-CB 3.43Å; R83-E110 IonicContact CZ-OE2 2.73Å; R83-E110 IonicContact NH1-OE2 3.19Å; R83-E110 PolarHBondContact NH1-OE2 2.85Å; R83-E110 IonicContact NH2-OE2 3.18Å; R83-E110 PolarHBondContact NH2-OE2 3.49Å; Y85-E110 PolarHBondContact OH-O 3.04Å; T108-E110 PolarHBondContact O-N 2.84Å; E110-H119 IonicContact OE1-CE1 3.41Å; E110-H119 PolarHBondContact OE1-CE1 3.11Å; E110-H119 IonicContact OE1-ND1 2.57Å; E110-H119 PolarHBondContact OE1-ND1 2.99Å; E110-R173 IonicContact OE1-CZ 3.46Å; E110-R173 IonicContact OE1-NH1 3.76Å; E110-R173 IonicContact OE1-NH2 2.61Å; E110-R173 PolarHBondContact OE1-NH2 3.28Å; E110-R173 IonicContact OE2-NH2 3.61Å; E110-H179 IonicContact OE2-NE2 2.79Å; E110-T258 HydrophobicContact CG-CG2 4.42Å | ||
| 111 | T | 85.1 | Confident | 90.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | trans | -89.6 | -18.7 | -171.2 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | S240 V241 A244 I254 T258 T259 | T111-S240 CarbonylContact O-C 3.46Å; T111-S240 WeakPolarHBondContact O-CB 3.38Å; T111-S240 PolarHBondContact O-OG 2.95Å; T111-S240 VanDerWaalsContact O-OG 3.09Å; T111-V241 PolarHBondContact O-N 3.25Å; T111-A244 HydrophobicContact CG2-CB 4.33Å; T111-I254 HydrophobicContact CG2-CG2 3.62Å; T111-T258 PolarHBondContact N-OG1 3.27Å; T111-T258 PolarHBondContact OG1-O 3.42Å; T111-T258 PolarHBondContact OG1-OG1 2.97Å; T111-T259 PolarHBondContact OG1-N 3.43Å | ||
| 112 | G | 85.1 | Confident | 90.9 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -82.1 | 164.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R83 | R83-G112 VanDerWaalsContact CZ-O 3.29Å; R83-G112 PolarHBondContact NE-O 3.5Å; R83-G112 PolarHBondContact NH2-O 3.41Å |
| 113 | P | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -57.4 | 154.1 | 174.3 | -23.8 | 34.1 | 0 | 0 | 0 | 113.2 | K76 W239 S240 | K76-P113 HydrophobicContact CB-CB 3.98Å; K76-P113 HydrophobicContact CB-CG 4.05Å; K76-P113 WeakPolarHBondContact CE-O 3.28Å; K76-P113 HydrophobicContact CG-CB 4.18Å; K76-P113 WeakPolarHBondContact O-CB 3.08Å; P113-W239 HydrophobicContact CB-CZ2 4.26Å; P113-S240 WeakPolarHBondContact CD-OG 3.27Å | ||
| 114 | G | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -80.1 | -19.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G81 H179 Q183 | G81-G114 PolarHBondContact O-N 3Å; G114-H179 PolarHBondContact O-CE1 3.21Å; G114-H179 PolarHBondContact O-ND1 3.47Å; G114-Q183 VanDerWaalsContact O-CD 3.23Å; G114-Q183 PolarHBondContact O-OE1 3.35Å; G114-Q183 VanDerWaalsContact O-OE1 3.09Å |
| 115 | S | 93.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 12.2 Ų | 12.2 | 6% | 0.056 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -122.4 | 128 | -172.4 | -166.5 | 0 | 0 | 0 | 0 | 112.4 | K76 | K76-S115 VanDerWaalsContact CA-O 3.24Å; K76-S115 WeakPolarHBondContact CA-O 3.24Å; K76-S115 WeakPolarHBondContact CG-O 3.47Å |
| 116 | P | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | cis | -81.3 | 163.8 | -8.5 | 28.2 | -24.6 | 0 | 0 | 0 | 112.2 | N72 F75 K76 G118 M121 L186 I190 | N72-P116 PolarHBondContact ND2-O 3.27Å; F75-P116 HydrophobicContact CB-CG 4.08Å; F75-P116 HydrophobicContact CD2-CG 4.46Å; K76-P116 WeakPolarHBondContact CE-O 3.2Å; P116-G118 PolarHBondContact O-N 3.24Å; P116-M121 HydrophobicContact CG-SD 4.39Å; P116-L186 HydrophobicContact CB-CB 4.41Å; P116-L186 HydrophobicContact CB-CD2 4.16Å; P116-L186 HydrophobicContact CB-CG 4.09Å; P116-I190 HydrophobicContact CB-CD1 4.35Å; P116-I190 HydrophobicContact CG-CD1 4.05Å |
| 117 | S | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -66.4 | 121 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 112 | M121 H179 Q183 | S117-M121 WeakPolarHBondContact O-CB 3.33Å; S117-M121 PolarHBondContact O-N 2.88Å; S117-H179 VanDerWaalsContact CA-CE1 3.5Å; S117-H179 WeakPolarHBondContact CA-CE1 3.49Å; S117-H179 PolarHBondContact OG-CD2 3.02Å; S117-H179 PolarHBondContact OG-NE2 3.41Å; S117-Q183 PolarHBondContact N-O 2.68Å; S117-Q183 VanDerWaalsContact N-O 3.08Å | ||
| 118 | G | 92.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 8.1 Ų | 8.1 | 7% | 0.072 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | P116 G122 | P116-G118 PolarHBondContact O-N 3.24Å; G118-G122 PolarHBondContact O-N 3.26Å |
| 119 | H | 93.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 8.1 Ų | 8.1 | 10% | 0.102 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.4 | -49.8 | 175.6 | -79 | 71.2 | 0 | 0 | 0 | 111.3 | S34 G37 E110 M121 S123 R173 | S34-H119 PolarHBondContact O-CD2 3.35Å; G37-H119 PolarHBondContact O-CD2 3.01Å; E110-H119 IonicContact OE1-CE1 3.41Å; E110-H119 PolarHBondContact OE1-CE1 3.11Å; E110-H119 IonicContact OE1-ND1 2.57Å; E110-H119 PolarHBondContact OE1-ND1 2.99Å; H119-M121 VanDerWaalsContact C-N 3.34Å; H119-M121 PolarHBondContact O-N 3.17Å; H119-S123 WeakPolarHBondContact O-CB 3.18Å; H119-S123 PolarHBondContact O-N 2.9Å; H119-R173 HydrophobicContact CB-CG 4.05Å; H119-R173 PolarHBondContact CE1-NH1 3.43Å; H119-R173 PolarHBondContact NE2-NH1 2.99Å |
| 120 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S124 V184 | A120-S124 VanDerWaalsContact O-CB 3.3Å; A120-S124 WeakPolarHBondContact O-CB 3.44Å; A120-S124 PolarHBondContact O-N 2.69Å; A120-S124 PolarHBondContact O-OG 3.35Å; A120-V184 HydrophobicContact CB-CB 4.23Å |
| 121 | M | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67 | -50 | 179.3 | -174.9 | 172.4 | 171.1 | 0 | 0 | 112.8 | G68 F71 N72 P116 S117 H119 S124 C125 G187 I190 V194 | G68-M121 WeakPolarHBondContact O-CE 3.22Å; F71-M121 HydrophobicContact CB-CE 4Å; N72-M121 HydrophobicContact CB-CE 4.42Å; N72-M121 HydrophobicContact CB-SD 3.69Å; P116-M121 HydrophobicContact CG-SD 4.39Å; S117-M121 WeakPolarHBondContact O-CB 3.33Å; S117-M121 PolarHBondContact O-N 2.88Å; H119-M121 VanDerWaalsContact C-N 3.34Å; H119-M121 PolarHBondContact O-N 3.17Å; M121-S124 PolarHBondContact O-OG 3.15Å; M121-C125 WeakPolarHBondContact O-CB 3.38Å; M121-C125 PolarHBondContact O-N 2.59Å; M121-G187 VanDerWaalsContact CA-O 3.22Å; M121-G187 WeakPolarHBondContact CA-O 3.43Å; M121-G187 WeakPolarHBondContact CB-O 3.3Å; M121-I190 HydrophobicContact CE-CB 4.23Å; M121-I190 HydrophobicContact CE-CG2 3.39Å; M121-I190 HydrophobicContact SD-CB 4.24Å; M121-I190 HydrophobicContact SD-CG2 3.93Å; M121-V194 HydrophobicContact CE-CG2 4.15Å |
| 122 | G | 94.2 | Very high | 94 | Very high | 15 Ų | 15 | 9 Ų | 9 | 16% | 0.155 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | G118 V126 | G118-G122 PolarHBondContact O-N 3.26Å; G122-V126 PolarHBondContact O-N 2.76Å |
| 123 | S | 95.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 4% | 0.042 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.5 | -53.7 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | H119 C125 V126 W127 Q166 | H119-S123 WeakPolarHBondContact O-CB 3.18Å; H119-S123 PolarHBondContact O-N 2.9Å; S123-C125 VanDerWaalsContact C-N 3.26Å; S123-C125 PolarHBondContact O-N 3.49Å; S123-V126 PolarHBondContact O-N 3.04Å; S123-W127 WeakPolarHBondContact O-CB 3.5Å; S123-W127 VanDerWaalsContact O-CD1 3.24Å; S123-W127 PolarHBondContact O-N 3.03Å; S123-Q166 VanDerWaalsContact OG-CD 3.28Å; S123-Q166 PolarHBondContact OG-NE2 3.14Å; S123-Q166 PolarHBondContact OG-OE1 3.37Å |
| 124 | S | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | -176.5 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | A120 M121 V126 Y128 L188 G191 | A120-S124 VanDerWaalsContact O-CB 3.3Å; A120-S124 WeakPolarHBondContact O-CB 3.44Å; A120-S124 PolarHBondContact O-N 2.69Å; A120-S124 PolarHBondContact O-OG 3.35Å; M121-S124 PolarHBondContact O-OG 3.15Å; S124-V126 PolarHBondContact O-N 3.44Å; S124-Y128 WeakPolarHBondContact O-CB 3.46Å; S124-Y128 PolarHBondContact O-N 2.95Å; S124-L188 PolarHBondContact OG-O 3.23Å; S124-G191 WeakPolarHBondContact OG-CA 3.2Å |
| 125 | C | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 178.3 | -155.3 | 0 | 0 | 0 | 0 | 112.4 | V64 M121 S123 L129 G191 A195 | V64-C125 HydrophobicContact CG1-CB 4.33Å; V64-C125 WeakPolarHBondContact CG1-SG 3.49Å; M121-C125 WeakPolarHBondContact O-CB 3.38Å; M121-C125 PolarHBondContact O-N 2.59Å; S123-C125 VanDerWaalsContact C-N 3.26Å; S123-C125 PolarHBondContact O-N 3.49Å; C125-L129 PolarHBondContact O-N 3.38Å; C125-G191 WeakPolarHBondContact CA-O 3.19Å; C125-G191 PolarHBondContact SG-O 3.45Å; C125-A195 WeakPolarHBondContact O-CB 3.45Å |
| 126 | V | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -78.9 | -40 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | I42 Y46 M61 A65 G122 S123 S124 Y128 L129 M130 | I42-V126 HydrophobicContact CB-CG2 4.36Å; I42-V126 HydrophobicContact CD1-CB 4.34Å; I42-V126 HydrophobicContact CD1-CG2 3.52Å; I42-V126 HydrophobicContact CG1-CB 4.21Å; I42-V126 HydrophobicContact CG1-CG1 4.39Å; I42-V126 HydrophobicContact CG1-CG2 3.72Å; I42-V126 HydrophobicContact CG2-CG1 4.39Å; I42-V126 HydrophobicContact CG2-CG2 3.74Å; Y46-V126 HydrophobicContact CD2-CG1 4.39Å; M61-V126 HydrophobicContact CE-CG1 3.87Å; M61-V126 HydrophobicContact CG-CG1 4.02Å; M61-V126 HydrophobicContact CG-CG2 4.29Å; M61-V126 HydrophobicContact SD-CG1 3.84Å; A65-V126 HydrophobicContact CB-CG2 4.37Å; G122-V126 PolarHBondContact O-N 2.76Å; S123-V126 PolarHBondContact O-N 3.04Å; S124-V126 PolarHBondContact O-N 3.44Å; V126-Y128 VanDerWaalsContact C-N 3.32Å; V126-Y128 PolarHBondContact O-N 2.93Å; V126-L129 WeakPolarHBondContact O-CB 3.49Å; V126-L129 PolarHBondContact O-N 3.31Å; V126-M130 HydrophobicContact CG1-CE 4.22Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.38Å; V126-M130 VanDerWaalsContact O-CG 3.3Å; V126-M130 WeakPolarHBondContact O-CG 3.37Å; V126-M130 PolarHBondContact O-N 2.92Å |
| 127 | W | 95.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 19 Ų | 19 | 18% | 0.182 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 176.9 | -82.1 | 89.1 | 0 | 0 | 0 | 112.4 | Y46 S123 M130 V131 F162 I165 | Y46-W127 HydrophobicContact CE1-CZ2 4.14Å; S123-W127 WeakPolarHBondContact O-CB 3.5Å; S123-W127 VanDerWaalsContact O-CD1 3.24Å; S123-W127 PolarHBondContact O-N 3.03Å; W127-M130 HydrophobicContact CB-CE 4.22Å; W127-M130 HydrophobicContact CD2-CE 3.38Å; W127-M130 HydrophobicContact CE3-CE 3.69Å; W127-M130 HydrophobicContact CG-CE 3.64Å; W127-M130 HydrophobicContact CH2-CE 4.38Å; W127-M130 HydrophobicContact CZ2-CE 4.16Å; W127-M130 HydrophobicContact CZ3-CE 4.17Å; W127-M130 PolarHBondContact O-N 3.18Å; W127-V131 WeakPolarHBondContact O-CG2 3.46Å; W127-V131 PolarHBondContact O-N 3.48Å; W127-F162 HydrophobicContact CB-CD2 3.75Å; W127-F162 HydrophobicContact CB-CE2 3.93Å; W127-I165 HydrophobicContact CD2-CD1 4.32Å; W127-I165 HydrophobicContact CD2-CG2 4.35Å; W127-I165 HydrophobicContact CE3-CD1 3.93Å; W127-I165 HydrophobicContact CH2-CD1 3.18Å; W127-I165 HydrophobicContact CZ2-CD1 3.6Å; W127-I165 HydrophobicContact CZ2-CG2 4.29Å; W127-I165 HydrophobicContact CZ3-CD1 3.36Å |
| 128 | Y | 96.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 20.8 Ų | 20.8 | 13% | 0.133 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 173.8 | -172.5 | -83 | 0 | 0 | 0 | 110.5 | S124 V126 M130 V131 T132 W159 F162 M192 A195 E196 | S124-Y128 WeakPolarHBondContact O-CB 3.46Å; S124-Y128 PolarHBondContact O-N 2.95Å; V126-Y128 VanDerWaalsContact C-N 3.32Å; V126-Y128 PolarHBondContact O-N 2.93Å; Y128-M130 VanDerWaalsContact C-N 3.33Å; Y128-M130 PolarHBondContact O-N 3.38Å; Y128-V131 PolarHBondContact O-N 3.37Å; Y128-T132 HydrophobicContact CD1-CG2 3.9Å; Y128-T132 HydrophobicContact CE1-CG2 3.58Å; Y128-T132 WeakPolarHBondContact O-CG2 3.31Å; Y128-T132 PolarHBondContact O-N 2.89Å; Y128-T132 PolarHBondContact O-OG1 3.32Å; Y128-W159 AromaticContact CD2-CH2 3.62Å; Y128-W159 HydrophobicContact CD2-CH2 3.62Å; Y128-W159 AromaticContact CD2-CZ3 3.86Å; Y128-W159 HydrophobicContact CD2-CZ3 3.86Å; Y128-W159 AromaticContact CE2-CH2 3.37Å; Y128-W159 HydrophobicContact CE2-CH2 3.37Å; Y128-W159 HydrophobicContact CE2-CZ2 4.45Å; Y128-W159 AromaticContact CE2-CZ3 3.94Å; Y128-W159 HydrophobicContact CE2-CZ3 3.94Å; Y128-W159 HydrophobicContact CG-CH2 4.46Å; Y128-F162 HydrophobicContact CD2-CZ 4.41Å; Y128-M192 HydrophobicContact CD2-CB 4.11Å; Y128-M192 HydrophobicContact CD2-CE 3.81Å; Y128-M192 HydrophobicContact CD2-CG 3.85Å; Y128-M192 HydrophobicContact CE2-CB 4.37Å; Y128-M192 HydrophobicContact CE2-CE 3.69Å; Y128-M192 HydrophobicContact CE2-CG 4.44Å; Y128-M192 HydrophobicContact CG-CG 4.48Å; Y128-A195 HydrophobicContact CD1-CB 3.62Å; Y128-A195 HydrophobicContact CE1-CB 4.44Å; Y128-A195 HydrophobicContact CG-CB 4.16Å; Y128-E196 HydrophobicContact CE1-CB 4.27Å; Y128-E196 WeakPolarHBondContact CE1-OE2 3.49Å; Y128-E196 VanDerWaalsContact CZ-OE2 3.27Å; Y128-E196 PolarHBondContact OH-OE2 2.96Å |
| 129 | L | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -44.5 | 175.2 | 178 | 79.3 | 0 | 0 | 0 | 112.6 | K60 M61 C125 V126 T132 S133 | K60-L129 HydrophobicContact CD-CD1 3.53Å; K60-L129 HydrophobicContact CG-CD1 3.72Å; M61-L129 VanDerWaalsContact CA-CD2 3.4Å; M61-L129 HydrophobicContact CB-CD2 3.61Å; M61-L129 HydrophobicContact CE-CD2 4.27Å; M61-L129 HydrophobicContact CG-CD2 4.03Å; C125-L129 PolarHBondContact O-N 3.38Å; V126-L129 WeakPolarHBondContact O-CB 3.49Å; V126-L129 PolarHBondContact O-N 3.31Å; L129-T132 PolarHBondContact O-OG1 3.49Å; L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 2.98Å; L129-S133 PolarHBondContact O-OG 3.29Å |
| 130 | M | 94.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 179.6 | -71.9 | -170.8 | -62.4 | 0 | 0 | 111.2 | Y46 W50 M61 V126 W127 Y128 A134 | Y46-M130 HydrophobicContact CD1-CE 4.18Å; Y46-M130 HydrophobicContact CD1-SD 4.02Å; Y46-M130 HydrophobicContact CE1-CE 4.39Å; Y46-M130 HydrophobicContact CG-CE 4.39Å; Y46-M130 HydrophobicContact CG-SD 4.19Å; W50-M130 HydrophobicContact CD2-CG 4.33Å; W50-M130 HydrophobicContact CH2-CB 4.4Å; W50-M130 WeakPolarHBondContact CH2-O 3.44Å; W50-M130 HydrophobicContact CZ2-CB 3.67Å; W50-M130 HydrophobicContact CZ2-CG 3.86Å; W50-M130 HydrophobicContact CZ2-SD 4.39Å; W50-M130 VanDerWaalsContact NE1-CG 3.35Å; W50-M130 PolarHBondContact NE1-SD 3.02Å; M61-M130 HydrophobicContact CE-CG 3.74Å; M61-M130 HydrophobicContact CE-SD 4.2Å; V126-M130 HydrophobicContact CG1-CE 4.22Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.38Å; V126-M130 VanDerWaalsContact O-CG 3.3Å; V126-M130 WeakPolarHBondContact O-CG 3.37Å; V126-M130 PolarHBondContact O-N 2.92Å; W127-M130 HydrophobicContact CB-CE 4.22Å; W127-M130 HydrophobicContact CD2-CE 3.38Å; W127-M130 HydrophobicContact CE3-CE 3.69Å; W127-M130 HydrophobicContact CG-CE 3.64Å; W127-M130 HydrophobicContact CH2-CE 4.38Å; W127-M130 HydrophobicContact CZ2-CE 4.16Å; W127-M130 HydrophobicContact CZ3-CE 4.17Å; W127-M130 PolarHBondContact O-N 3.18Å; Y128-M130 VanDerWaalsContact C-N 3.33Å; Y128-M130 PolarHBondContact O-N 3.38Å; M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.36Å; M130-A134 PolarHBondContact O-N 3.38Å |
| 131 | V | 95.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -49.3 | 178.2 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | W127 Y128 S133 A134 L135 L158 W159 F162 | W127-V131 WeakPolarHBondContact O-CG2 3.46Å; W127-V131 PolarHBondContact O-N 3.48Å; Y128-V131 PolarHBondContact O-N 3.37Å; V131-S133 VanDerWaalsContact C-N 3.31Å; V131-S133 PolarHBondContact O-N 2.93Å; V131-A134 PolarHBondContact O-N 3.44Å; V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 2.81Å; V131-L158 HydrophobicContact CG1-CB 3.96Å; V131-L158 HydrophobicContact CG2-CB 4.26Å; V131-W159 HydrophobicContact CG1-CD2 4.01Å; V131-W159 HydrophobicContact CG1-CE3 4.34Å; V131-W159 HydrophobicContact CG1-CG 4.48Å; V131-W159 HydrophobicContact CG1-CH2 4.29Å; V131-W159 HydrophobicContact CG1-CZ2 3.99Å; V131-W159 HydrophobicContact CG1-CZ3 4.47Å; V131-F162 HydrophobicContact CG2-CB 4.19Å |
| 132 | T | 93.9 | Very high | 85.3 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 179.9 | 58 | 0 | 0 | 0 | 0 | 111.7 | Y128 L129 L135 A136 W159 | Y128-T132 HydrophobicContact CD1-CG2 3.9Å; Y128-T132 HydrophobicContact CE1-CG2 3.58Å; Y128-T132 WeakPolarHBondContact O-CG2 3.31Å; Y128-T132 PolarHBondContact O-N 2.89Å; Y128-T132 PolarHBondContact O-OG1 3.32Å; L129-T132 PolarHBondContact O-OG1 3.49Å; T132-L135 PolarHBondContact O-N 2.99Å; T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 2.95Å; T132-W159 HydrophobicContact CG2-CZ2 4.46Å |
| 133 | S | 92.4 | Very high | 83.3 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | V57 L129 V131 L135 A136 F137 | V57-S133 WeakPolarHBondContact CG1-OG 3.34Å; L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 2.98Å; L129-S133 PolarHBondContact O-OG 3.29Å; V131-S133 VanDerWaalsContact C-N 3.31Å; V131-S133 PolarHBondContact O-N 2.93Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 3.48Å; S133-A136 PolarHBondContact O-N 2.94Å; S133-F137 VanDerWaalsContact O-CD2 3.28Å; S133-F137 WeakPolarHBondContact O-CD2 3.42Å; S133-F137 PolarHBondContact O-N 3.15Å; S133-F137 VanDerWaalsContact O-N 3.1Å |
| 134 | A | 91.9 | Very high | 81.4 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W50 M130 V131 A136 F137 T138 L158 | W50-A134 HydrophobicContact CH2-CB 4.08Å; M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.36Å; M130-A134 PolarHBondContact O-N 3.38Å; V131-A134 PolarHBondContact O-N 3.44Å; A134-A136 VanDerWaalsContact C-N 3.35Å; A134-A136 PolarHBondContact O-N 3.45Å; A134-F137 PolarHBondContact O-N 3.27Å; A134-T138 PolarHBondContact O-N 2.89Å; A134-L158 HydrophobicContact CB-CD1 3.86Å |
| 135 | L | 90.8 | Very high | 79.5 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 178.2 | -68.5 | 173.6 | 0 | 0 | 0 | 112.3 | V131 T132 S133 F137 T138 R139 L154 M155 L158 | V131-L135 HydrophobicContact CG1-CD1 3.94Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 2.81Å; T132-L135 PolarHBondContact O-N 2.99Å; S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact O-N 3.48Å; L135-F137 VanDerWaalsContact C-N 3.34Å; L135-F137 PolarHBondContact O-N 3.27Å; L135-T138 PolarHBondContact O-N 3.15Å; L135-T138 PolarHBondContact O-OG1 2.93Å; L135-R139 PolarHBondContact O-N 3.21Å; L135-L154 HydrophobicContact CD2-CD2 4.25Å; L135-L154 HydrophobicContact CD2-CG 4.18Å; L135-M155 HydrophobicContact CD1-CE 3.59Å; L135-M155 HydrophobicContact CD1-CG 3.87Å; L135-M155 HydrophobicContact CD1-SD 4.44Å; L135-M155 HydrophobicContact CD2-CB 4.29Å; L135-M155 HydrophobicContact CD2-CG 3.39Å; L135-M155 HydrophobicContact CG-CG 4.23Å; L135-L158 HydrophobicContact CD2-CD1 3.67Å; L135-L158 HydrophobicContact CG-CD1 3.83Å |
| 136 | A | 87.6 | Confident | 77.8 | Confident | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | T132 S133 A134 T138 R139 | T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 2.95Å; S133-A136 PolarHBondContact O-N 2.94Å; A134-A136 VanDerWaalsContact C-N 3.35Å; A134-A136 PolarHBondContact O-N 3.45Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 2.93Å; A136-R139 VanDerWaalsContact O-CB 3.3Å; A136-R139 WeakPolarHBondContact O-CB 3.48Å; A136-R139 PolarHBondContact O-N 3.05Å; A136-R139 VanDerWaalsContact O-N 3.07Å |
| 137 | F | 84.3 | Confident | 76.3 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 175.4 | -70 | -47.6 | 0 | 0 | 0 | 113 | W50 S54 V57 S133 A134 L135 R139 | W50-F137 HydrophobicContact CZ3-CD2 4.49Å; W50-F137 AromaticContact CZ3-CE2 3.93Å; W50-F137 HydrophobicContact CZ3-CE2 3.93Å; S54-F137 VanDerWaalsContact CB-CZ 3.46Å; V57-F137 HydrophobicContact CG2-CE2 4.22Å; V57-F137 HydrophobicContact CG2-CZ 3.83Å; S133-F137 VanDerWaalsContact O-CD2 3.28Å; S133-F137 WeakPolarHBondContact O-CD2 3.42Å; S133-F137 PolarHBondContact O-N 3.15Å; S133-F137 VanDerWaalsContact O-N 3.1Å; A134-F137 PolarHBondContact O-N 3.27Å; L135-F137 VanDerWaalsContact C-N 3.34Å; L135-F137 PolarHBondContact O-N 3.27Å; F137-R139 PolarHBondContact O-N 3.46Å |
| 138 | T | 76.4 | Confident | 75.1 | Confident | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.239 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.6 | 176.3 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | A134 L135 A136 W147 L154 | A134-T138 PolarHBondContact O-N 2.89Å; L135-T138 PolarHBondContact O-N 3.15Å; L135-T138 PolarHBondContact O-OG1 2.93Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 2.93Å; T138-W147 WeakPolarHBondContact O-CZ3 3.28Å; T138-L154 HydrophobicContact CG2-CD2 3.46Å; T138-L154 VanDerWaalsContact CG2-CD2 3.46Å |
| 139 | R | 69 | Low | 74.2 | Confident | 186 Ų | 186 | 70.8 Ų | 70.8 | 70% | 0.702 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.7 | -179.6 | -167.9 | 172.7 | 176.6 | 147.7 | -0.9 | 113.3 | L135 A136 F137 S141 | L135-R139 PolarHBondContact O-N 3.21Å; A136-R139 VanDerWaalsContact O-CB 3.3Å; A136-R139 WeakPolarHBondContact O-CB 3.48Å; A136-R139 PolarHBondContact O-N 3.05Å; A136-R139 VanDerWaalsContact O-N 3.07Å; F137-R139 PolarHBondContact O-N 3.46Å; R139-S141 PolarHBondContact O-N 2.95Å |
| 140 | S | 54.6 | Low | 73.5 | Confident | 107 Ų | 107 | 76.2 Ų | 76.2 | 75% | 0.748 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -88 | 4.4 | -164.8 | 88.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 141 | S | 50.9 | Low | 72.9 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -110.1 | 138 | 178.3 | -39.3 | 0 | 0 | 0 | 0 | 112 | R139 V143 W147 | R139-S141 PolarHBondContact O-N 2.95Å; S141-V143 PolarHBondContact O-N 3.46Å; S141-W147 WeakPolarHBondContact OG-CH2 3.36Å |
| 142 | C | 48.3 | Very low | 72.4 | Confident | 129 Ų | 129 | 88.5 Ų | 88.5 | 87% | 0.872 | 48% | 0.479 | S | S | * | . | trans | -49.5 | 131.5 | -175.2 | -162.5 | 0 | 0 | 0 | 0 | 112.2 | S144 | C142-S144 PolarHBondContact O-N 3.17Š| ||
| 143 | V | 51.3 | Low | 72.2 | Confident | 130 Ų | 130 | 90 Ų | 90 | 79% | 0.788 | 49% | 0.488 | S | S | * | . | trans | -75.4 | 117.2 | -164.6 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | S141 | S141-V143 PolarHBondContact O-N 3.46Š| ||
| 144 | S | 56.3 | Low | 72 | Confident | 58 Ų | 58 | 92.2 Ų | 92.2 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | trans | -109.7 | 156.5 | 159.1 | 66.9 | 0 | 0 | 0 | 0 | 110 | C142 V146 W147 S148 | C142-S144 PolarHBondContact O-N 3.17Å; S144-V146 PolarHBondContact O-N 3.15Å; S144-W147 VanDerWaalsContact O-CB 3.29Å; S144-W147 WeakPolarHBondContact O-CB 3.41Å; S144-W147 PolarHBondContact O-N 2.88Å; S144-S148 PolarHBondContact O-N 2.97Å | ||
| 145 | S | 56.4 | Low | 72 | Confident | 110 Ų | 110 | 94 Ų | 94 | 77% | 0.769 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.6 | -33.8 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 113.1 | W147 S148 | S145-W147 VanDerWaalsContact C-N 3.31Å; S145-W147 PolarHBondContact O-N 3.37Å; S145-S148 VanDerWaalsContact O-CB 3.29Å; S145-S148 WeakPolarHBondContact O-CB 3.32Å; S145-S148 PolarHBondContact O-N 3.14Å; S145-S148 VanDerWaalsContact O-N 3.17Å |
| 146 | V | 58.8 | Low | 72.1 | Confident | 101 Ų | 101 | 96 Ų | 96 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | 176.2 | 180 | 0 | 0 | 0 | 0 | 112 | S144 S148 Q150 | S144-V146 PolarHBondContact O-N 3.15Å; V146-S148 VanDerWaalsContact C-N 3.26Å; V146-S148 PolarHBondContact O-N 3.44Å; V146-Q150 PolarHBondContact O-N 3.3Å |
| 147 | W | 62.2 | Low | 72.5 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 34% | 0.337 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.4 | -23.4 | 176.1 | -108.4 | 55 | 0 | 0 | 0 | 113.1 | T138 S141 S144 S145 R151 | T138-W147 WeakPolarHBondContact O-CZ3 3.28Å; S141-W147 WeakPolarHBondContact OG-CH2 3.36Å; S144-W147 VanDerWaalsContact O-CB 3.29Å; S144-W147 WeakPolarHBondContact O-CB 3.41Å; S144-W147 PolarHBondContact O-N 2.88Å; S145-W147 VanDerWaalsContact C-N 3.31Å; S145-W147 PolarHBondContact O-N 3.37Å; W147-R151 WeakPolarHBondContact O-CB 3.11Å; W147-R151 PolarHBondContact O-N 2.86Å; W147-R151 VanDerWaalsContact O-N 3.08Å |
| 148 | S | 70.5 | Confident | 73 | Confident | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -46.1 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | S144 S145 V146 R151 W152 | S144-S148 PolarHBondContact O-N 2.97Å; S145-S148 VanDerWaalsContact O-CB 3.29Å; S145-S148 WeakPolarHBondContact O-CB 3.32Å; S145-S148 PolarHBondContact O-N 3.14Å; S145-S148 VanDerWaalsContact O-N 3.17Å; V146-S148 VanDerWaalsContact C-N 3.26Å; V146-S148 PolarHBondContact O-N 3.44Å; S148-R151 PolarHBondContact O-N 3.01Å; S148-W152 PolarHBondContact O-N 3.22Å |
| 149 | F | 78.1 | Confident | 74 | Confident | 156 Ų | 156 | 96.1 Ų | 96.1 | 68% | 0.684 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -47.4 | 178.7 | -176.4 | -101.8 | 0 | 0 | 0 | 111.5 | R151 W152 T153 | F149-R151 VanDerWaalsContact C-N 3.27Å; F149-R151 PolarHBondContact O-N 3.17Å; F149-W152 WeakPolarHBondContact O-CB 3.25Å; F149-W152 PolarHBondContact O-N 3.33Å; F149-W152 VanDerWaalsContact O-N 3.13Å; F149-T153 PolarHBondContact O-N 3.07Å; F149-T153 PolarHBondContact O-OG1 3.47Å |
| 150 | Q | 79.8 | Confident | 75.3 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 177.2 | -71.4 | 179 | -27.7 | 0 | 0 | 112.3 | V146 T153 L154 | V146-Q150 PolarHBondContact O-N 3.3Å; Q150-T153 PolarHBondContact O-N 3.49Å; Q150-L154 WeakPolarHBondContact O-CB 3.46Å; Q150-L154 PolarHBondContact O-N 3.02Å |
| 151 | R | 81.8 | Confident | 77.3 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.5 | 178.2 | 176.5 | 171.3 | 178.8 | -3.9 | 112.3 | W147 S148 F149 T153 L154 M155 | W147-R151 WeakPolarHBondContact O-CB 3.11Å; W147-R151 PolarHBondContact O-N 2.86Å; W147-R151 VanDerWaalsContact O-N 3.08Å; S148-R151 PolarHBondContact O-N 3.01Å; F149-R151 VanDerWaalsContact C-N 3.27Å; F149-R151 PolarHBondContact O-N 3.17Å; R151-T153 VanDerWaalsContact C-N 3.32Å; R151-L154 PolarHBondContact O-N 3.42Å; R151-M155 WeakPolarHBondContact O-CB 3.3Å; R151-M155 WeakPolarHBondContact O-CG 3.17Å; R151-M155 PolarHBondContact O-N 2.93Å |
| 152 | W | 85.6 | Confident | 79.5 | Confident | 180 Ų | 180 | 85.5 Ų | 85.5 | 68% | 0.682 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 174.1 | -103 | 94.9 | 0 | 0 | 0 | 111.1 | S148 F149 L154 M155 S156 | S148-W152 PolarHBondContact O-N 3.22Å; F149-W152 WeakPolarHBondContact O-CB 3.25Å; F149-W152 PolarHBondContact O-N 3.33Å; F149-W152 VanDerWaalsContact O-N 3.13Å; W152-L154 PolarHBondContact O-N 3.01Å; W152-M155 PolarHBondContact O-N 3.47Å; W152-S156 PolarHBondContact O-N 3.12Å; W152-S156 PolarHBondContact O-OG 3.24Å |
| 153 | T | 88.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 84.5 Ų | 84.5 | 34% | 0.344 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.8 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | F149 Q150 R151 S156 I157 | F149-T153 PolarHBondContact O-N 3.07Å; F149-T153 PolarHBondContact O-OG1 3.47Å; Q150-T153 PolarHBondContact O-N 3.49Å; R151-T153 VanDerWaalsContact C-N 3.32Å; T153-S156 PolarHBondContact O-N 2.02Å; T153-I157 HydrophobicContact CG2-CD1 3.84Å; T153-I157 HydrophobicContact CG2-CG1 4.45Å; T153-I157 WeakPolarHBondContact O-CB 3.42Å; T153-I157 VanDerWaalsContact O-CG1 3.26Å; T153-I157 WeakPolarHBondContact O-CG1 2.92Å; T153-I157 PolarHBondContact O-N 2.9Å |
| 154 | L | 89.4 | Confident | 84 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.1 | -179.8 | 65.8 | 0 | 0 | 0 | 112.2 | L135 T138 Q150 R151 W152 S156 I157 L158 | L135-L154 HydrophobicContact CD2-CD2 4.25Å; L135-L154 HydrophobicContact CD2-CG 4.18Å; T138-L154 HydrophobicContact CG2-CD2 3.46Å; T138-L154 VanDerWaalsContact CG2-CD2 3.46Å; Q150-L154 WeakPolarHBondContact O-CB 3.46Å; Q150-L154 PolarHBondContact O-N 3.02Å; R151-L154 PolarHBondContact O-N 3.42Å; W152-L154 PolarHBondContact O-N 3.01Å; L154-S156 VanDerWaalsContact C-N 3.35Å; L154-S156 PolarHBondContact O-N 3.35Å; L154-I157 PolarHBondContact O-N 3.35Å; L154-L158 HydrophobicContact CD1-CD1 3.93Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CD2-CD1 4.48Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.3Å; L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 WeakPolarHBondContact O-CG 3.22Å; L154-L158 PolarHBondContact O-N 2.86Å |
| 155 | M | 91.9 | Very high | 85.9 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 32% | 0.315 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 174.8 | -77.2 | -160.5 | 81.6 | 0 | 0 | 111.1 | L135 R151 W152 I157 L158 W159 | L135-M155 HydrophobicContact CD1-CE 3.59Å; L135-M155 HydrophobicContact CD1-CG 3.87Å; L135-M155 HydrophobicContact CD1-SD 4.44Å; L135-M155 HydrophobicContact CD2-CB 4.29Å; L135-M155 HydrophobicContact CD2-CG 3.39Å; L135-M155 HydrophobicContact CG-CG 4.23Å; R151-M155 WeakPolarHBondContact O-CB 3.3Å; R151-M155 WeakPolarHBondContact O-CG 3.17Å; R151-M155 PolarHBondContact O-N 2.93Å; W152-M155 PolarHBondContact O-N 3.47Å; M155-I157 PolarHBondContact O-N 2.87Å; M155-L158 PolarHBondContact O-N 3.24Å; M155-W159 WeakPolarHBondContact O-CB 3.45Å; M155-W159 PolarHBondContact O-N 3.33Å |
| 156 | S | 93.4 | Very high | 87.8 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 42% | 0.42 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 176.4 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | W152 T153 L154 L158 W159 T160 | W152-S156 PolarHBondContact O-N 3.12Å; W152-S156 PolarHBondContact O-OG 3.24Å; T153-S156 PolarHBondContact O-N 2.02Å; L154-S156 VanDerWaalsContact C-N 3.35Å; L154-S156 PolarHBondContact O-N 3.35Å; S156-L158 PolarHBondContact O-N 2.81Å; S156-W159 PolarHBondContact O-N 3.42Å; S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 3.29Å; S156-T160 PolarHBondContact O-N 3.32Å; S156-T160 PolarHBondContact O-OG1 2.66Å |
| 157 | I | 95.2 | Very high | 89.6 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 179.9 | -70.6 | 167.8 | 0 | 0 | 0 | 111.3 | T153 L154 M155 T160 A161 | T153-I157 HydrophobicContact CG2-CD1 3.84Å; T153-I157 HydrophobicContact CG2-CG1 4.45Å; T153-I157 WeakPolarHBondContact O-CB 3.42Å; T153-I157 VanDerWaalsContact O-CG1 3.26Å; T153-I157 WeakPolarHBondContact O-CG1 2.92Å; T153-I157 PolarHBondContact O-N 2.9Å; L154-I157 PolarHBondContact O-N 3.35Å; M155-I157 PolarHBondContact O-N 2.87Å; I157-T160 PolarHBondContact O-N 2.92Å; I157-A161 WeakPolarHBondContact O-CB 3.48Å; I157-A161 PolarHBondContact O-N 3.06Å |
| 158 | L | 95.5 | Very high | 91.3 | Very high | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | -176.7 | -69.9 | 177.1 | 0 | 0 | 0 | 112.3 | V131 A134 L135 L154 M155 S156 A161 F162 | V131-L158 HydrophobicContact CG1-CB 3.96Å; V131-L158 HydrophobicContact CG2-CB 4.26Å; A134-L158 HydrophobicContact CB-CD1 3.86Å; L135-L158 HydrophobicContact CD2-CD1 3.67Å; L135-L158 HydrophobicContact CG-CD1 3.83Å; L154-L158 HydrophobicContact CD1-CD1 3.93Å; L154-L158 HydrophobicContact CD1-CG 3.97Å; L154-L158 HydrophobicContact CD2-CD1 4.48Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.3Å; L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 WeakPolarHBondContact O-CG 3.22Å; L154-L158 PolarHBondContact O-N 2.86Å; M155-L158 PolarHBondContact O-N 3.24Å; S156-L158 PolarHBondContact O-N 2.81Å; L158-A161 PolarHBondContact O-N 2.85Å; L158-F162 WeakPolarHBondContact O-CB 3.28Å; L158-F162 PolarHBondContact O-N 3.15Å |
| 159 | W | 96.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 69 Ų | 69 | 24% | 0.239 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 176.4 | -78.3 | 115.5 | 0 | 0 | 0 | 112.6 | Y128 V131 T132 M155 S156 F162 W163 | Y128-W159 AromaticContact CD2-CH2 3.62Å; Y128-W159 HydrophobicContact CD2-CH2 3.62Å; Y128-W159 AromaticContact CD2-CZ3 3.86Å; Y128-W159 HydrophobicContact CD2-CZ3 3.86Å; Y128-W159 AromaticContact CE2-CH2 3.37Å; Y128-W159 HydrophobicContact CE2-CH2 3.37Å; Y128-W159 HydrophobicContact CE2-CZ2 4.45Å; Y128-W159 AromaticContact CE2-CZ3 3.94Å; Y128-W159 HydrophobicContact CE2-CZ3 3.94Å; Y128-W159 HydrophobicContact CG-CH2 4.46Å; V131-W159 HydrophobicContact CG1-CD2 4.01Å; V131-W159 HydrophobicContact CG1-CE3 4.34Å; V131-W159 HydrophobicContact CG1-CG 4.48Å; V131-W159 HydrophobicContact CG1-CH2 4.29Å; V131-W159 HydrophobicContact CG1-CZ2 3.99Å; V131-W159 HydrophobicContact CG1-CZ3 4.47Å; T132-W159 HydrophobicContact CG2-CZ2 4.46Å; M155-W159 WeakPolarHBondContact O-CB 3.45Å; M155-W159 PolarHBondContact O-N 3.33Å; S156-W159 PolarHBondContact O-N 3.42Å; W159-F162 HydrophobicContact CE3-CB 4.27Å; W159-F162 AromaticContact CE3-CD1 3.98Å; W159-F162 HydrophobicContact CE3-CD1 3.98Å; W159-F162 HydrophobicContact CE3-CG 4.17Å; W159-F162 HydrophobicContact CZ3-CD1 4.02Å; W159-F162 HydrophobicContact CZ3-CE1 4.3Å; W159-F162 HydrophobicContact CZ3-CG 4.22Å; W159-F162 WeakPolarHBondContact O-CB 3.2Å; W159-F162 PolarHBondContact O-N 3.47Å; W159-W163 PolarHBondContact O-N 3.5Å |
| 160 | T | 96.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 172.5 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | S156 I157 F162 W163 V164 | S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 3.29Å; S156-T160 PolarHBondContact O-N 3.32Å; S156-T160 PolarHBondContact O-OG1 2.66Å; I157-T160 PolarHBondContact O-N 2.92Å; T160-F162 VanDerWaalsContact C-N 3.33Å; T160-F162 PolarHBondContact O-N 2.74Å; T160-W163 PolarHBondContact O-N 2.89Å; T160-V164 HydrophobicContact CG2-CG2 4.26Å; T160-V164 WeakPolarHBondContact O-CB 3.29Å; T160-V164 VanDerWaalsContact O-CG2 3.27Å; T160-V164 WeakPolarHBondContact O-CG2 3.18Å; T160-V164 PolarHBondContact O-N 3.47Å |
| 161 | A | 96.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I157 L158 V164 I165 | I157-A161 WeakPolarHBondContact O-CB 3.48Å; I157-A161 PolarHBondContact O-N 3.06Å; L158-A161 PolarHBondContact O-N 2.85Å; A161-V164 PolarHBondContact O-N 3.23Å; A161-I165 WeakPolarHBondContact O-CB 3.38Å; A161-I165 VanDerWaalsContact O-CG1 3.32Å; A161-I165 WeakPolarHBondContact O-CG1 3.4Å; A161-I165 PolarHBondContact O-N 3.37Å |
| 162 | F | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.5 | -55.5 | 173.5 | 172.9 | -91.9 | 0 | 0 | 0 | 111.3 | W127 Y128 V131 L158 W159 T160 V164 I165 Q166 M192 | W127-F162 HydrophobicContact CB-CD2 3.75Å; W127-F162 HydrophobicContact CB-CE2 3.93Å; Y128-F162 HydrophobicContact CD2-CZ 4.41Å; V131-F162 HydrophobicContact CG2-CB 4.19Å; L158-F162 WeakPolarHBondContact O-CB 3.28Å; L158-F162 PolarHBondContact O-N 3.15Å; W159-F162 HydrophobicContact CE3-CB 4.27Å; W159-F162 AromaticContact CE3-CD1 3.98Å; W159-F162 HydrophobicContact CE3-CD1 3.98Å; W159-F162 HydrophobicContact CE3-CG 4.17Å; W159-F162 HydrophobicContact CZ3-CD1 4.02Å; W159-F162 HydrophobicContact CZ3-CE1 4.3Å; W159-F162 HydrophobicContact CZ3-CG 4.22Å; W159-F162 WeakPolarHBondContact O-CB 3.2Å; W159-F162 PolarHBondContact O-N 3.47Å; T160-F162 VanDerWaalsContact C-N 3.33Å; T160-F162 PolarHBondContact O-N 2.74Å; F162-V164 PolarHBondContact O-N 3.44Å; F162-I165 PolarHBondContact O-N 3.19Å; F162-Q166 HydrophobicContact CD1-CG 4.21Å; F162-Q166 HydrophobicContact CD2-CG 4.07Å; F162-Q166 HydrophobicContact CE1-CG 3.87Å; F162-Q166 HydrophobicContact CE2-CG 3.7Å; F162-Q166 HydrophobicContact CG-CG 4.29Å; F162-Q166 HydrophobicContact CZ-CG 3.6Å; F162-Q166 WeakPolarHBondContact O-CB 3.43Å; F162-Q166 VanDerWaalsContact O-CG 3.29Å; F162-Q166 WeakPolarHBondContact O-CG 3.25Å; F162-Q166 PolarHBondContact O-N 3.44Å; F162-M192 HydrophobicContact CE1-CE 4.38Å; F162-M192 HydrophobicContact CE1-SD 4.1Å; F162-M192 HydrophobicContact CZ-CE 4.47Å; F162-M192 HydrophobicContact CZ-CG 3.97Å; F162-M192 HydrophobicContact CZ-SD 3.94Å |
| 163 | W | 97.6 | Very high | 95.4 | Very high | 108 Ų | 108 | 47 Ų | 47 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | -176.9 | -76 | 116.7 | 0 | 0 | 0 | 112.7 | W159 T160 I165 Q166 I167 L188 M192 | W159-W163 PolarHBondContact O-N 3.5Å; T160-W163 PolarHBondContact O-N 2.89Å; W163-I165 VanDerWaalsContact C-N 3.35Å; W163-I165 PolarHBondContact O-N 3.39Å; W163-Q166 PolarHBondContact O-N 3.38Å; W163-I167 HydrophobicContact CB-CD1 4.42Å; W163-I167 VanDerWaalsContact O-CB 3.23Å; W163-I167 WeakPolarHBondContact O-CB 3.36Å; W163-I167 WeakPolarHBondContact O-CD1 3.27Å; W163-I167 WeakPolarHBondContact O-CG1 3.36Å; W163-I167 PolarHBondContact O-N 3.29Å; W163-L188 HydrophobicContact CH2-CD2 4.15Å; W163-L188 HydrophobicContact CZ3-CD1 4.36Å; W163-L188 HydrophobicContact CZ3-CD2 3.85Å; W163-M192 HydrophobicContact CH2-CE 4.43Å; W163-M192 HydrophobicContact CH2-SD 4.2Å; W163-M192 HydrophobicContact CZ2-CE 4.38Å |
| 164 | V | 96.9 | Very high | 95.8 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 52% | 0.521 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | T160 A161 F162 S168 | T160-V164 HydrophobicContact CG2-CG2 4.26Å; T160-V164 WeakPolarHBondContact O-CB 3.29Å; T160-V164 VanDerWaalsContact O-CG2 3.27Å; T160-V164 WeakPolarHBondContact O-CG2 3.18Å; T160-V164 PolarHBondContact O-N 3.47Å; A161-V164 PolarHBondContact O-N 3.23Å; F162-V164 PolarHBondContact O-N 3.44Å; V164-S168 VanDerWaalsContact O-CB 3.26Å; V164-S168 WeakPolarHBondContact O-CB 3.35Å; V164-S168 PolarHBondContact O-N 3.25Å; V164-S168 PolarHBondContact O-OG 3.15Å |
| 165 | I | 95.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 42 Ų | 42 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -48.3 | 179.9 | -69.2 | 172.7 | 0 | 0 | 0 | 110.5 | M33 V36 W127 A161 F162 W163 S168 V169 | M33-I165 HydrophobicContact CE-CB 4.5Å; M33-I165 HydrophobicContact CE-CG2 4.16Å; V36-I165 HydrophobicContact CG1-CG2 4.25Å; W127-I165 HydrophobicContact CD2-CD1 4.32Å; W127-I165 HydrophobicContact CD2-CG2 4.35Å; W127-I165 HydrophobicContact CE3-CD1 3.93Å; W127-I165 HydrophobicContact CH2-CD1 3.18Å; W127-I165 HydrophobicContact CZ2-CD1 3.6Å; W127-I165 HydrophobicContact CZ2-CG2 4.29Å; W127-I165 HydrophobicContact CZ3-CD1 3.36Å; A161-I165 WeakPolarHBondContact O-CB 3.38Å; A161-I165 VanDerWaalsContact O-CG1 3.32Å; A161-I165 WeakPolarHBondContact O-CG1 3.4Å; A161-I165 PolarHBondContact O-N 3.37Å; F162-I165 PolarHBondContact O-N 3.19Å; W163-I165 VanDerWaalsContact C-N 3.35Å; W163-I165 PolarHBondContact O-N 3.39Å; I165-S168 PolarHBondContact O-N 3.38Å; I165-V169 HydrophobicContact CG2-CG2 4.37Å; I165-V169 VanDerWaalsContact O-CG2 3.3Å; I165-V169 WeakPolarHBondContact O-CG2 3.3Å; I165-V169 PolarHBondContact O-N 3.11Å |
| 166 | Q | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | -177.2 | -66.5 | -37 | -54.6 | 0 | 0 | 112.9 | S123 F162 W163 S168 V169 C170 L188 | S123-Q166 VanDerWaalsContact OG-CD 3.28Å; S123-Q166 PolarHBondContact OG-NE2 3.14Å; S123-Q166 PolarHBondContact OG-OE1 3.37Å; F162-Q166 HydrophobicContact CD1-CG 4.21Å; F162-Q166 HydrophobicContact CD2-CG 4.07Å; F162-Q166 HydrophobicContact CE1-CG 3.87Å; F162-Q166 HydrophobicContact CE2-CG 3.7Å; F162-Q166 HydrophobicContact CG-CG 4.29Å; F162-Q166 HydrophobicContact CZ-CG 3.6Å; F162-Q166 WeakPolarHBondContact O-CB 3.43Å; F162-Q166 VanDerWaalsContact O-CG 3.29Å; F162-Q166 WeakPolarHBondContact O-CG 3.25Å; F162-Q166 PolarHBondContact O-N 3.44Å; W163-Q166 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.21Å; Q166-V169 PolarHBondContact O-N 3.23Å; Q166-C170 WeakPolarHBondContact O-CB 3.43Å; Q166-C170 PolarHBondContact O-N 3.29Å; Q166-C170 PolarHBondContact O-SG 3.16Å; Q166-L188 HydrophobicContact CB-CD1 3.52Å; Q166-L188 HydrophobicContact CG-CD1 4.01Å |
| 167 | I | 97.1 | Very high | 96.2 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 46% | 0.456 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.1 | -69.8 | 167.6 | 0 | 0 | 0 | 109.8 | W163 C170 I171 | W163-I167 HydrophobicContact CB-CD1 4.42Å; W163-I167 VanDerWaalsContact O-CB 3.23Å; W163-I167 WeakPolarHBondContact O-CB 3.36Å; W163-I167 WeakPolarHBondContact O-CD1 3.27Å; W163-I167 WeakPolarHBondContact O-CG1 3.36Å; W163-I167 PolarHBondContact O-N 3.29Å; I167-C170 PolarHBondContact O-N 2.93Å; I167-I171 HydrophobicContact CG2-CD1 3.65Å; I167-I171 HydrophobicContact CG2-CG1 4.27Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 3.42Å |
| 168 | S | 96.4 | Very high | 96 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | V164 I165 Q166 S172 | V164-S168 VanDerWaalsContact O-CB 3.26Å; V164-S168 WeakPolarHBondContact O-CB 3.35Å; V164-S168 PolarHBondContact O-N 3.25Å; V164-S168 PolarHBondContact O-OG 3.15Å; I165-S168 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.21Å; S168-S172 VanDerWaalsContact O-CB 3.22Å; S168-S172 WeakPolarHBondContact O-CB 3.35Å; S168-S172 PolarHBondContact O-N 3.18Å |
| 169 | V | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | M33 I165 Q166 I171 S172 R173 | M33-V169 HydrophobicContact CE-CG2 4.35Å; M33-V169 WeakPolarHBondContact O-CG2 3.5Å; I165-V169 HydrophobicContact CG2-CG2 4.37Å; I165-V169 VanDerWaalsContact O-CG2 3.3Å; I165-V169 WeakPolarHBondContact O-CG2 3.3Å; I165-V169 PolarHBondContact O-N 3.11Å; Q166-V169 PolarHBondContact O-N 3.23Å; V169-I171 PolarHBondContact O-N 3.01Å; V169-S172 WeakPolarHBondContact O-CB 3.26Å; V169-S172 PolarHBondContact O-N 3.44Å; V169-R173 HydrophobicContact CG1-CG 4.49Å; V169-R173 WeakPolarHBondContact O-CG 3.48Å; V169-R173 PolarHBondContact O-N 3.48Å |
| 170 | C | 97.1 | Very high | 96 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 178.9 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | Q166 I167 S172 R173 V174 V184 | Q166-C170 WeakPolarHBondContact O-CB 3.43Å; Q166-C170 PolarHBondContact O-N 3.29Å; Q166-C170 PolarHBondContact O-SG 3.16Å; I167-C170 PolarHBondContact O-N 2.93Å; C170-S172 VanDerWaalsContact C-N 3.31Å; C170-S172 PolarHBondContact O-N 2.85Å; C170-R173 PolarHBondContact O-N 3.37Å; C170-V174 WeakPolarHBondContact O-CG2 3.36Å; C170-V174 PolarHBondContact O-N 3.42Å; C170-V174 VanDerWaalsContact O-N 3.15Å; C170-V184 HydrophobicContact CB-CB 4.09Å; C170-V184 HydrophobicContact CB-CG2 3.93Å |
| 171 | I | 96.8 | Very high | 96 | Very high | 68 Ų | 68 | 23.8 Ų | 23.8 | 35% | 0.349 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 177 | -68.3 | 170.5 | 0 | 0 | 0 | 110.2 | L19 L30 I167 V169 R173 V174 F175 | L19-I171 HydrophobicContact CD1-CG2 4.44Å; L19-I171 HydrophobicContact CD2-CG2 4.32Å; L30-I171 HydrophobicContact CD2-CG2 3.91Å; I167-I171 HydrophobicContact CG2-CD1 3.65Å; I167-I171 HydrophobicContact CG2-CG1 4.27Å; I167-I171 VanDerWaalsContact O-CG1 3.31Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 3.42Å; V169-I171 PolarHBondContact O-N 3.01Å; I171-R173 PolarHBondContact O-N 3.44Å; I171-V174 PolarHBondContact O-N 3.24Å; I171-F175 WeakPolarHBondContact O-CB 3.29Å; I171-F175 PolarHBondContact O-N 3.23Å |
| 172 | S | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | L30 S34 S168 V169 C170 V174 F175 I176 | L30-S172 WeakPolarHBondContact O-CB 3.16Å; L30-S172 PolarHBondContact O-OG 3.27Å; S34-S172 VanDerWaalsContact CB-OG 3.32Å; S34-S172 WeakPolarHBondContact CB-OG 3.47Å; S34-S172 PolarHBondContact N-OG 2.85Å; S168-S172 VanDerWaalsContact O-CB 3.22Å; S168-S172 WeakPolarHBondContact O-CB 3.35Å; S168-S172 PolarHBondContact O-N 3.18Å; V169-S172 WeakPolarHBondContact O-CB 3.26Å; V169-S172 PolarHBondContact O-N 3.44Å; C170-S172 VanDerWaalsContact C-N 3.31Å; C170-S172 PolarHBondContact O-N 2.85Å; S172-V174 VanDerWaalsContact C-N 3.29Å; S172-V174 PolarHBondContact O-N 3.43Å; S172-F175 WeakPolarHBondContact O-CB 3.22Å; S172-F175 PolarHBondContact O-N 3.48Å; S172-F175 VanDerWaalsContact O-N 3.17Å; S172-I176 WeakPolarHBondContact O-CG1 3.5Å; S172-I176 PolarHBondContact O-N 2.92Å |
| 173 | R | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -33.5 | 179.3 | -64.4 | -46.1 | -63.6 | -176.6 | -0.8 | 113.3 | S34 E110 H119 V169 C170 I171 I176 T178 H179 V184 | S34-R173 PolarHBondContact OG-NH1 2.89Å; E110-R173 IonicContact OE1-CZ 3.46Å; E110-R173 IonicContact OE1-NH1 3.76Å; E110-R173 IonicContact OE1-NH2 2.61Å; E110-R173 PolarHBondContact OE1-NH2 3.28Å; E110-R173 IonicContact OE2-NH2 3.61Å; H119-R173 HydrophobicContact CB-CG 4.05Å; H119-R173 PolarHBondContact CE1-NH1 3.43Å; H119-R173 PolarHBondContact NE2-NH1 2.99Å; V169-R173 HydrophobicContact CG1-CG 4.49Å; V169-R173 WeakPolarHBondContact O-CG 3.48Å; V169-R173 PolarHBondContact O-N 3.48Å; C170-R173 PolarHBondContact O-N 3.37Å; I171-R173 PolarHBondContact O-N 3.44Å; R173-I176 WeakPolarHBondContact O-CG1 3.5Å; R173-T178 PolarHBondContact NE-OG1 2.66Å; R173-T178 PolarHBondContact NH2-OG1 2.87Å; R173-T178 VanDerWaalsContact NH2-OG1 3.17Å; R173-T178 PolarHBondContact O-N 2.91Å; R173-T178 PolarHBondContact O-OG1 3.24Å; R173-H179 PolarHBondContact O-N 3.42Å; R173-V184 HydrophobicContact CB-CG1 3.9Å |
| 174 | V | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.6 | -46.4 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | I15 I16 L19 C170 I171 S172 I176 A177 P181 V184 | I15-V174 HydrophobicContact CG2-CG1 4.25Å; I16-V174 HydrophobicContact CD1-CG1 4.49Å; I16-V174 HydrophobicContact CG1-CG1 3.54Å; I16-V174 WeakPolarHBondContact CG1-O 3.2Å; L19-V174 HydrophobicContact CD1-CB 4.27Å; L19-V174 HydrophobicContact CD1-CG1 3.74Å; C170-V174 WeakPolarHBondContact O-CG2 3.36Å; C170-V174 PolarHBondContact O-N 3.42Å; C170-V174 VanDerWaalsContact O-N 3.15Å; I171-V174 PolarHBondContact O-N 3.24Å; S172-V174 VanDerWaalsContact C-N 3.29Å; S172-V174 PolarHBondContact O-N 3.43Å; V174-I176 VanDerWaalsContact C-N 3.35Å; V174-I176 PolarHBondContact O-N 2.92Å; V174-A177 WeakPolarHBondContact O-CA 3.32Å; V174-A177 PolarHBondContact O-N 3.12Å; V174-P181 HydrophobicContact CG1-CG 4.22Å; V174-P181 HydrophobicContact CG2-CG 4.32Å; V174-V184 HydrophobicContact CG2-CG1 4.27Å; V174-V184 HydrophobicContact CG2-CG2 3.93Å |
| 175 | F | 95.6 | Very high | 96 | Very high | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 180 | 176.3 | -90.3 | 0 | 0 | 0 | 113.1 | L19 Q20 N27 L30 F105 I171 S172 A177 | L19-F175 HydrophobicContact CB-CD2 4.11Å; Q20-F175 HydrophobicContact CG-CD2 4.27Å; Q20-F175 HydrophobicContact CG-CE2 4.29Å; Q20-F175 WeakPolarHBondContact CG-O 3.44Å; Q20-F175 PolarHBondContact NE2-O 2.96Å; N27-F175 HydrophobicContact CB-CE1 4.2Å; N27-F175 HydrophobicContact CB-CZ 4.18Å; L30-F175 HydrophobicContact CB-CD1 4.26Å; L30-F175 HydrophobicContact CD1-CB 3.87Å; L30-F175 HydrophobicContact CD1-CD1 3.81Å; L30-F175 HydrophobicContact CD1-CD2 3.48Å; L30-F175 VanDerWaalsContact CD1-CD2 3.48Å; L30-F175 HydrophobicContact CD1-CE1 4.2Å; L30-F175 HydrophobicContact CD1-CE2 3.89Å; L30-F175 HydrophobicContact CD1-CG 3.43Å; L30-F175 VanDerWaalsContact CD1-CG 3.43Å; L30-F175 HydrophobicContact CD1-CZ 4.24Å; F105-F175 HydrophobicContact CE1-CE1 4.26Å; F105-F175 HydrophobicContact CE2-CD1 4.31Å; F105-F175 HydrophobicContact CE2-CE1 4.03Å; F105-F175 HydrophobicContact CZ-CD1 4.3Å; F105-F175 AromaticContact CZ-CE1 3.57Å; F105-F175 HydrophobicContact CZ-CE1 3.57Å; F105-F175 HydrophobicContact CZ-CZ 4.18Å; I171-F175 WeakPolarHBondContact O-CB 3.29Å; I171-F175 PolarHBondContact O-N 3.23Å; S172-F175 WeakPolarHBondContact O-CB 3.22Å; S172-F175 PolarHBondContact O-N 3.48Å; S172-F175 VanDerWaalsContact O-N 3.17Å; F175-A177 PolarHBondContact O-N 3.39Å; F175-A177 VanDerWaalsContact O-N 3.15Å |
| 176 | I | 93.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 10.3 | 177.4 | 65.8 | 179.6 | 0 | 0 | 0 | 113.8 | F105 I107 T108 S172 R173 V174 T178 | F105-I176 HydrophobicContact CD2-CB 3.86Å; F105-I176 HydrophobicContact CD2-CG2 3.9Å; F105-I176 HydrophobicContact CE2-CB 4.42Å; F105-I176 HydrophobicContact CE2-CG2 4.33Å; F105-I176 HydrophobicContact CG-CG2 4.34Å; I107-I176 HydrophobicContact CD1-CD1 3.55Å; I107-I176 HydrophobicContact CD1-CG2 4.37Å; I107-I176 HydrophobicContact CG1-CD1 3.89Å; T108-I176 VanDerWaalsContact CG2-O 3.24Å; T108-I176 WeakPolarHBondContact CG2-O 3.21Å; T108-I176 PolarHBondContact OG1-O 2.8Å; S172-I176 WeakPolarHBondContact O-CG1 3.5Å; S172-I176 PolarHBondContact O-N 2.92Å; R173-I176 WeakPolarHBondContact O-CG1 3.5Å; V174-I176 VanDerWaalsContact C-N 3.35Å; V174-I176 PolarHBondContact O-N 2.92Å; I176-T178 HydrophobicContact CD1-CG2 3.64Å; I176-T178 HydrophobicContact CG1-CG2 3.65Å; I176-T178 WeakPolarHBondContact CG1-OG1 3.37Å; I176-T178 PolarHBondContact O-N 3.37Å; I176-T178 VanDerWaalsContact O-N 3.11Å |
| 177 | A | 93.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 23.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I16 P84 Y85 L102 V174 F175 | I16-A177 HydrophobicContact CG2-CB 4.12Å; P84-A177 HydrophobicContact CB-CB 4.44Å; P84-A177 WeakPolarHBondContact CD-O 3.46Å; Y85-A177 PolarHBondContact N-O 3.42Å; L102-A177 HydrophobicContact CB-CB 4.23Å; L102-A177 HydrophobicContact CD1-CB 4.29Å; V174-A177 WeakPolarHBondContact O-CA 3.32Å; V174-A177 PolarHBondContact O-N 3.12Å; F175-A177 PolarHBondContact O-N 3.39Å; F175-A177 VanDerWaalsContact O-N 3.15Å |
| 178 | T | 91.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -83.6 | -28.9 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | R83 I107 T108 R173 I176 | R83-T178 WeakPolarHBondContact CD-O 3.44Å; R83-T178 WeakPolarHBondContact CG-O 3.34Å; R83-T178 PolarHBondContact NH1-O 3.48Å; R83-T178 VanDerWaalsContact NH1-O 3.11Å; I107-T178 WeakPolarHBondContact O-CG2 3.34Å; T108-T178 VanDerWaalsContact CA-CG2 3.48Å; T108-T178 HydrophobicContact CG2-CG2 4.36Å; T108-T178 WeakPolarHBondContact O-CG2 3.09Å; R173-T178 PolarHBondContact NE-OG1 2.66Å; R173-T178 PolarHBondContact NH2-OG1 2.87Å; R173-T178 VanDerWaalsContact NH2-OG1 3.17Å; R173-T178 PolarHBondContact O-N 2.91Å; R173-T178 PolarHBondContact O-OG1 3.24Å; I176-T178 HydrophobicContact CD1-CG2 3.64Å; I176-T178 HydrophobicContact CG1-CG2 3.65Å; I176-T178 WeakPolarHBondContact CG1-OG1 3.37Å; I176-T178 PolarHBondContact O-N 3.37Å; I176-T178 VanDerWaalsContact O-N 3.11Å |
| 179 | H | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -143.4 | 149.6 | -174.1 | -71 | -70.7 | 0 | 0 | 0 | 111.8 | E110 G114 S117 R173 Q183 V184 | E110-H179 IonicContact OE2-NE2 2.79Å; G114-H179 PolarHBondContact O-CE1 3.21Å; G114-H179 PolarHBondContact O-ND1 3.47Å; S117-H179 VanDerWaalsContact CA-CE1 3.5Å; S117-H179 WeakPolarHBondContact CA-CE1 3.49Å; S117-H179 PolarHBondContact OG-CD2 3.02Å; S117-H179 PolarHBondContact OG-NE2 3.41Å; R173-H179 PolarHBondContact O-N 3.42Å; H179-Q183 HydrophobicContact CB-CB 4.44Å; H179-Q183 PolarHBondContact ND1-OE1 2.75Å; H179-V184 HydrophobicContact CB-CG1 3.69Å |
| 180 | F | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -79.9 | 156.4 | 167.5 | -69.6 | -70.3 | 0 | 0 | 0 | 111.6 | H9 V13 I16 P84 W87 H182 Q183 V184 | H9-F180 HydrophobicContact CB-CE1 4.11Å; H9-F180 HydrophobicContact CB-CE2 4.43Å; H9-F180 HydrophobicContact CB-CZ 3.89Å; H9-F180 AromaticContact CD2-CD2 3.51Å; H9-F180 AromaticContact CD2-CE2 3.38Å; H9-F180 WeakPolarHBondContact CD2-CE2 3.49Å; H9-F180 AromaticContact CD2-CG 3.96Å; H9-F180 AromaticContact CD2-CZ 3.72Å; H9-F180 AromaticContact CG-CE2 3.91Å; H9-F180 AromaticContact CG-CZ 3.88Å; H9-F180 AromaticContact NE2-CD2 3.86Å; H9-F180 AromaticContact NE2-CE2 3.78Å; H9-F180 WeakPolarHBondContact O-CE1 3.22Å; V13-F180 HydrophobicContact CG2-CE1 4Å; I16-F180 HydrophobicContact CD1-CD1 4.48Å; P84-F180 HydrophobicContact CB-CD1 4.41Å; P84-F180 HydrophobicContact CB-CE1 3.94Å; P84-F180 HydrophobicContact CB-CZ 4.02Å; P84-F180 HydrophobicContact CG-CD1 3.84Å; P84-F180 HydrophobicContact CG-CD2 4.08Å; P84-F180 HydrophobicContact CG-CE1 3.83Å; P84-F180 HydrophobicContact CG-CE2 4.08Å; P84-F180 HydrophobicContact CG-CG 3.98Å; P84-F180 HydrophobicContact CG-CZ 3.97Å; W87-F180 HydrophobicContact CB-CE2 4.48Å; W87-F180 HydrophobicContact CB-CZ 4.2Å; W87-F180 HydrophobicContact CD2-CZ 4.13Å; W87-F180 HydrophobicContact CE3-CZ 4.04Å; W87-F180 HydrophobicContact CG-CZ 4.21Å; F180-H182 VanDerWaalsContact C-N 3.31Å; F180-H182 VanDerWaalsContact CB-CE1 3.44Å; F180-H182 WeakPolarHBondContact CB-CE1 3.2Å; F180-H182 WeakPolarHBondContact CB-ND1 3.32Å; F180-H182 AromaticContact CG-CE1 3.97Å; F180-H182 PolarHBondContact O-N 3.46Å; F180-Q183 HydrophobicContact CB-CG 4.12Å; F180-Q183 WeakPolarHBondContact O-CB 3.4Å; F180-Q183 PolarHBondContact O-N 3.35Å; F180-V184 PolarHBondContact O-N 3.07Å | ||
| 181 | P | 96.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 20.9 Ų | 20.9 | 22% | 0.221 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.3 | -42 | 179 | -29.4 | 36.2 | 0 | 0 | 0 | 114.3 | I15 V174 Q183 V184 V185 | I15-P181 HydrophobicContact CB-CG 4.45Å; I15-P181 HydrophobicContact CD1-CG 3.95Å; I15-P181 HydrophobicContact CG2-CG 4.2Å; V174-P181 HydrophobicContact CG1-CG 4.22Å; V174-P181 HydrophobicContact CG2-CG 4.32Å; P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.31Å; P181-V184 WeakPolarHBondContact O-CG2 3.39Å; P181-V184 PolarHBondContact O-N 3.48Å; P181-V185 VanDerWaalsContact O-CG2 3.32Å; P181-V185 WeakPolarHBondContact O-CG2 3.3Å; P181-V185 PolarHBondContact O-N 2.89Å; P181-V185 VanDerWaalsContact O-N 3.13Å |
| 182 | H | 95.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 19.5 Ų | 19.5 | 28% | 0.282 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -64.5 | -29.8 | 178.8 | 71.2 | -87.1 | 0 | 0 | 0 | 112.9 | I8 H9 F180 L186 | I8-H182 HydrophobicContact CG2-CB 4.45Å; I8-H182 WeakPolarHBondContact CG2-ND1 3.36Å; H9-H182 AromaticContact CD2-CE1 3.76Å; H9-H182 AromaticContact NE2-CE1 3.74Å; F180-H182 VanDerWaalsContact C-N 3.31Å; F180-H182 VanDerWaalsContact CB-CE1 3.44Å; F180-H182 WeakPolarHBondContact CB-CE1 3.2Å; F180-H182 WeakPolarHBondContact CB-ND1 3.32Å; F180-H182 AromaticContact CG-CE1 3.97Å; F180-H182 PolarHBondContact O-N 3.46Å; H182-L186 VanDerWaalsContact O-CB 3.28Å; H182-L186 WeakPolarHBondContact O-CB 3.26Å; H182-L186 PolarHBondContact O-N 3.01Å |
| 183 | Q | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -75.7 | -36.1 | -178.2 | -59.5 | 176 | -27.1 | 0 | 0 | 112 | Q82 G114 S117 H179 F180 P181 G187 | Q82-Q183 PolarHBondContact O-NE2 3.1Å; G114-Q183 VanDerWaalsContact O-CD 3.23Å; G114-Q183 PolarHBondContact O-OE1 3.35Å; G114-Q183 VanDerWaalsContact O-OE1 3.09Å; S117-Q183 PolarHBondContact N-O 2.68Å; S117-Q183 VanDerWaalsContact N-O 3.08Å; H179-Q183 HydrophobicContact CB-CB 4.44Å; H179-Q183 PolarHBondContact ND1-OE1 2.75Å; F180-Q183 HydrophobicContact CB-CG 4.12Å; F180-Q183 WeakPolarHBondContact O-CB 3.4Å; F180-Q183 PolarHBondContact O-N 3.35Å; P181-Q183 VanDerWaalsContact C-N 3.26Å; P181-Q183 PolarHBondContact O-N 3.31Å; Q183-G187 PolarHBondContact O-N 2.55Å |
| 184 | V | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.4 | -38.7 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | A120 C170 R173 V174 H179 F180 P181 G187 L188 | A120-V184 HydrophobicContact CB-CB 4.23Å; C170-V184 HydrophobicContact CB-CB 4.09Å; C170-V184 HydrophobicContact CB-CG2 3.93Å; R173-V184 HydrophobicContact CB-CG1 3.9Å; V174-V184 HydrophobicContact CG2-CG1 4.27Å; V174-V184 HydrophobicContact CG2-CG2 3.93Å; H179-V184 HydrophobicContact CB-CG1 3.69Å; F180-V184 PolarHBondContact O-N 3.07Å; P181-V184 WeakPolarHBondContact O-CG2 3.39Å; P181-V184 PolarHBondContact O-N 3.48Å; V184-G187 PolarHBondContact O-N 2.97Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 PolarHBondContact O-N 3.03Å |
| 185 | V | 97.4 | Very high | 96.2 | Very high | 87 Ų | 87 | 25 Ų | 25 | 53% | 0.527 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63 | -46.7 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | P181 G187 L188 V189 | P181-V185 VanDerWaalsContact O-CG2 3.32Å; P181-V185 WeakPolarHBondContact O-CG2 3.3Å; P181-V185 PolarHBondContact O-N 2.89Å; P181-V185 VanDerWaalsContact O-N 3.13Å; V185-G187 VanDerWaalsContact C-N 3.34Å; V185-G187 PolarHBondContact O-N 3.33Å; V185-L188 WeakPolarHBondContact O-CB 3.45Å; V185-L188 PolarHBondContact O-N 3.35Å; V185-V189 WeakPolarHBondContact O-CG2 3.09Å; V185-V189 PolarHBondContact O-N 3.24Å |
| 186 | L | 97.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 34% | 0.335 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.6 | -177.7 | 62.4 | 0 | 0 | 0 | 111.4 | L79 P116 H182 L188 V189 I190 | L79-L186 HydrophobicContact CD1-CD2 3.79Å; P116-L186 HydrophobicContact CB-CB 4.41Å; P116-L186 HydrophobicContact CB-CD2 4.16Å; P116-L186 HydrophobicContact CB-CG 4.09Å; H182-L186 VanDerWaalsContact O-CB 3.28Å; H182-L186 WeakPolarHBondContact O-CB 3.26Å; H182-L186 PolarHBondContact O-N 3.01Å; L186-L188 PolarHBondContact O-N 2.89Å; L186-V189 PolarHBondContact O-N 3.01Å; L186-I190 HydrophobicContact CD1-CD1 3.78Å; L186-I190 HydrophobicContact CD1-CG1 4.11Å; L186-I190 HydrophobicContact CD2-CD1 4.44Å; L186-I190 HydrophobicContact CG-CD1 3.73Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 VanDerWaalsContact O-CG1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.31Å; L186-I190 PolarHBondContact O-N 3.23Å |
| 187 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M121 Q183 V184 V185 V189 I190 G191 | M121-G187 VanDerWaalsContact CA-O 3.22Å; M121-G187 WeakPolarHBondContact CA-O 3.43Å; M121-G187 WeakPolarHBondContact CB-O 3.3Å; Q183-G187 PolarHBondContact O-N 2.55Å; V184-G187 PolarHBondContact O-N 2.97Å; V185-G187 VanDerWaalsContact C-N 3.34Å; V185-G187 PolarHBondContact O-N 3.33Å; G187-V189 PolarHBondContact O-N 3.45Å; G187-I190 PolarHBondContact O-N 3.05Å; G187-G191 PolarHBondContact O-N 3.44Å |
| 188 | L | 97.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.2 | -51.1 | 178.1 | 178.6 | 123.8 | 0 | 0 | 0 | 111.9 | S124 W163 Q166 V184 V185 L186 G191 M192 | S124-L188 PolarHBondContact OG-O 3.23Å; W163-L188 HydrophobicContact CH2-CD2 4.15Å; W163-L188 HydrophobicContact CZ3-CD1 4.36Å; W163-L188 HydrophobicContact CZ3-CD2 3.85Å; Q166-L188 HydrophobicContact CB-CD1 3.52Å; Q166-L188 HydrophobicContact CG-CD1 4.01Å; V184-L188 WeakPolarHBondContact O-CB 3.38Å; V184-L188 PolarHBondContact O-N 3.03Å; V185-L188 WeakPolarHBondContact O-CB 3.45Å; V185-L188 PolarHBondContact O-N 3.35Å; L186-L188 PolarHBondContact O-N 2.89Å; L188-G191 PolarHBondContact O-N 3.47Å; L188-M192 HydrophobicContact CD2-SD 4.04Å; L188-M192 HydrophobicContact CG-SD 4.35Å; L188-M192 WeakPolarHBondContact O-CG 3.48Å; L188-M192 PolarHBondContact O-N 3.24Å; L188-M192 VanDerWaalsContact O-N 3.1Å |
| 189 | V | 97.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.4 | -48.8 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | V185 L186 G187 G191 M192 L193 | V185-V189 WeakPolarHBondContact O-CG2 3.09Å; V185-V189 PolarHBondContact O-N 3.24Å; L186-V189 PolarHBondContact O-N 3.01Å; G187-V189 PolarHBondContact O-N 3.45Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.3Å; V189-M192 PolarHBondContact O-N 2.85Å; V189-L193 HydrophobicContact CG1-CD1 3.96Å; V189-L193 HydrophobicContact CG1-CG 4.4Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 2.94Å |
| 190 | I | 97.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | -179.9 | -61 | 170.2 | 0 | 0 | 0 | 110.2 | F75 P116 M121 L186 G187 M192 L193 V194 | F75-I190 HydrophobicContact CD2-CD1 3.86Å; F75-I190 HydrophobicContact CD2-CG2 4.32Å; F75-I190 HydrophobicContact CE2-CD1 3.97Å; F75-I190 HydrophobicContact CE2-CG2 3.82Å; P116-I190 HydrophobicContact CB-CD1 4.35Å; P116-I190 HydrophobicContact CG-CD1 4.05Å; M121-I190 HydrophobicContact CE-CB 4.23Å; M121-I190 HydrophobicContact CE-CG2 3.39Å; M121-I190 HydrophobicContact SD-CB 4.24Å; M121-I190 HydrophobicContact SD-CG2 3.93Å; L186-I190 HydrophobicContact CD1-CD1 3.78Å; L186-I190 HydrophobicContact CD1-CG1 4.11Å; L186-I190 HydrophobicContact CD2-CD1 4.44Å; L186-I190 HydrophobicContact CG-CD1 3.73Å; L186-I190 HydrophobicContact CG-CG1 4.41Å; L186-I190 VanDerWaalsContact O-CG1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.31Å; L186-I190 PolarHBondContact O-N 3.23Å; G187-I190 PolarHBondContact O-N 3.05Å; I190-M192 PolarHBondContact O-N 2.73Å; I190-L193 PolarHBondContact O-N 2.94Å; I190-V194 HydrophobicContact CG2-CG2 4.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.43Å; I190-V194 PolarHBondContact O-N 3.41Å |
| 191 | G | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S124 C125 G187 L188 V189 V194 A195 | S124-G191 WeakPolarHBondContact OG-CA 3.2Å; C125-G191 WeakPolarHBondContact CA-O 3.19Å; C125-G191 PolarHBondContact SG-O 3.45Å; G187-G191 PolarHBondContact O-N 3.44Å; L188-G191 PolarHBondContact O-N 3.47Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.3Å; G191-V194 PolarHBondContact O-N 3.1Å; G191-A195 PolarHBondContact O-N 3.49Å; G191-A195 VanDerWaalsContact O-N 3.07Å |
| 192 | M | 96.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.3 | -68.2 | 173.5 | 65.7 | 0 | 0 | 112 | Y128 F162 W163 L188 V189 I190 V194 A195 E196 | Y128-M192 HydrophobicContact CD2-CB 4.11Å; Y128-M192 HydrophobicContact CD2-CE 3.81Å; Y128-M192 HydrophobicContact CD2-CG 3.85Å; Y128-M192 HydrophobicContact CE2-CB 4.37Å; Y128-M192 HydrophobicContact CE2-CE 3.69Å; Y128-M192 HydrophobicContact CE2-CG 4.44Å; Y128-M192 HydrophobicContact CG-CG 4.48Å; F162-M192 HydrophobicContact CE1-CE 4.38Å; F162-M192 HydrophobicContact CE1-SD 4.1Å; F162-M192 HydrophobicContact CZ-CE 4.47Å; F162-M192 HydrophobicContact CZ-CG 3.97Å; F162-M192 HydrophobicContact CZ-SD 3.94Å; W163-M192 HydrophobicContact CH2-CE 4.43Å; W163-M192 HydrophobicContact CH2-SD 4.2Å; W163-M192 HydrophobicContact CZ2-CE 4.38Å; L188-M192 HydrophobicContact CD2-SD 4.04Å; L188-M192 HydrophobicContact CG-SD 4.35Å; L188-M192 WeakPolarHBondContact O-CG 3.48Å; L188-M192 PolarHBondContact O-N 3.24Å; L188-M192 VanDerWaalsContact O-N 3.1Å; V189-M192 PolarHBondContact O-N 2.85Å; I190-M192 PolarHBondContact O-N 2.73Å; M192-V194 PolarHBondContact O-N 3.11Å; M192-A195 PolarHBondContact O-N 3.48Å; M192-E196 WeakPolarHBondContact O-CB 3.42Å; M192-E196 PolarHBondContact O-N 3.22Å |
| 193 | L | 97.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 48.3 Ų | 48.3 | 58% | 0.581 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 178.4 | -70.1 | 173 | 0 | 0 | 0 | 112.4 | V189 I190 A197 | V189-L193 HydrophobicContact CG1-CD1 3.96Å; V189-L193 HydrophobicContact CG1-CG 4.4Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 2.94Å; I190-L193 PolarHBondContact O-N 2.94Å; L193-A197 WeakPolarHBondContact O-CB 3Å; L193-A197 PolarHBondContact O-N 3.45Å |
| 194 | V | 96.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | F71 M121 I190 G191 M192 E196 A197 F198 | F71-V194 HydrophobicContact CD2-CG2 4.13Å; M121-V194 HydrophobicContact CE-CG2 4.15Å; I190-V194 HydrophobicContact CG2-CG2 4.26Å; I190-V194 WeakPolarHBondContact O-CG2 3.43Å; I190-V194 PolarHBondContact O-N 3.41Å; G191-V194 PolarHBondContact O-N 3.1Å; M192-V194 PolarHBondContact O-N 3.11Å; V194-E196 PolarHBondContact O-N 3.45Å; V194-A197 PolarHBondContact O-N 2.92Å; V194-F198 HydrophobicContact CG1-CD2 4.12Å; V194-F198 HydrophobicContact CG1-CE2 4.16Å; V194-F198 WeakPolarHBondContact O-CD2 3.49Å; V194-F198 PolarHBondContact O-N 2.81Å |
| 195 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V64 C125 Y128 G191 M192 F198 D199 | V64-A195 HydrophobicContact CG1-CB 4.34Å; C125-A195 WeakPolarHBondContact O-CB 3.45Å; Y128-A195 HydrophobicContact CD1-CB 3.62Å; Y128-A195 HydrophobicContact CE1-CB 4.44Å; Y128-A195 HydrophobicContact CG-CB 4.16Å; G191-A195 PolarHBondContact O-N 3.49Å; G191-A195 VanDerWaalsContact O-N 3.07Å; M192-A195 PolarHBondContact O-N 3.48Å; A195-F198 PolarHBondContact O-N 3.44Å; A195-D199 PolarHBondContact O-N 2.96Å |
| 196 | E | 94.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.6 | -172.4 | 65.9 | -159 | 0 | 0 | 112 | Y128 M192 V194 F198 D199 | Y128-E196 HydrophobicContact CE1-CB 4.27Å; Y128-E196 WeakPolarHBondContact CE1-OE2 3.49Å; Y128-E196 VanDerWaalsContact CZ-OE2 3.27Å; Y128-E196 PolarHBondContact OH-OE2 2.96Å; M192-E196 WeakPolarHBondContact O-CB 3.42Å; M192-E196 PolarHBondContact O-N 3.22Å; V194-E196 PolarHBondContact O-N 3.45Å; E196-F198 PolarHBondContact O-N 2.73Å; E196-D199 WeakPolarHBondContact O-CB 3.4Å; E196-D199 PolarHBondContact O-N 3.31Å |
| 197 | A | 95.3 | Very high | 93.1 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L193 V194 D199 H200 I201 | L193-A197 WeakPolarHBondContact O-CB 3Å; L193-A197 PolarHBondContact O-N 3.45Å; V194-A197 PolarHBondContact O-N 2.92Å; A197-D199 VanDerWaalsContact C-N 3.29Å; A197-D199 PolarHBondContact O-N 3.36Å; A197-H200 PolarHBondContact O-N 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.43Å |
| 198 | F | 93 | Very high | 92.9 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73 | -14.3 | 177.4 | -89.3 | -90 | 0 | 0 | 0 | 114.2 | K60 W63 V64 V67 V194 A195 E196 H200 I201 I204 | K60-F198 WeakPolarHBondContact CE-O 3.22Å; W63-F198 HydrophobicContact CB-CD1 4.28Å; W63-F198 HydrophobicContact CB-CE1 3.76Å; W63-F198 HydrophobicContact CB-CZ 4.41Å; W63-F198 HydrophobicContact CE3-CE1 4.27Å; W63-F198 HydrophobicContact CG-CE1 4.45Å; V64-F198 HydrophobicContact CG2-CB 3.45Å; V64-F198 VanDerWaalsContact CG2-CB 3.45Å; V64-F198 HydrophobicContact CG2-CD1 3.96Å; V64-F198 HydrophobicContact CG2-CD2 3.78Å; V64-F198 HydrophobicContact CG2-CG 3.45Å; V64-F198 VanDerWaalsContact CG2-CG 3.45Å; V67-F198 HydrophobicContact CB-CE2 3.86Å; V67-F198 HydrophobicContact CB-CZ 3.77Å; V67-F198 HydrophobicContact CG1-CE2 3.82Å; V67-F198 HydrophobicContact CG1-CZ 4Å; V67-F198 HydrophobicContact CG2-CE2 4.4Å; V67-F198 HydrophobicContact CG2-CZ 3.8Å; V194-F198 HydrophobicContact CG1-CD2 4.12Å; V194-F198 HydrophobicContact CG1-CE2 4.16Å; V194-F198 WeakPolarHBondContact O-CD2 3.49Å; V194-F198 PolarHBondContact O-N 2.81Å; A195-F198 PolarHBondContact O-N 3.44Å; E196-F198 PolarHBondContact O-N 2.73Å; F198-H200 PolarHBondContact O-N 3.5Å; F198-I201 HydrophobicContact CD1-CB 4.4Å; F198-I201 HydrophobicContact CD1-CD1 4.09Å; F198-I201 HydrophobicContact CD2-CD1 4.46Å; F198-I201 HydrophobicContact CE1-CD1 4.21Å; F198-I201 HydrophobicContact CG-CD1 4.21Å; F198-I201 HydrophobicContact CZ-CD1 4.47Å; F198-I201 PolarHBondContact O-N 3.24Å; F198-I204 HydrophobicContact CD1-CD1 4.2Å; F198-I204 HydrophobicContact CE1-CG2 4.37Å |
| 199 | D | 88 | Confident | 92.7 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -28.8 | 168.4 | -77.3 | 33.8 | 0 | 0 | 0 | 111.2 | K60 A195 E196 A197 | K60-D199 VanDerWaalsContact NZ-CG 3.35Å; K60-D199 IonicContact NZ-OD1 3.9Å; K60-D199 PolarHBondContact NZ-OD1 3.48Å; K60-D199 IonicContact NZ-OD2 3.99Å; A195-D199 PolarHBondContact O-N 2.96Å; E196-D199 WeakPolarHBondContact O-CB 3.4Å; E196-D199 PolarHBondContact O-N 3.31Å; A197-D199 VanDerWaalsContact C-N 3.29Å; A197-D199 PolarHBondContact O-N 3.36Å |
| 200 | H | 89.6 | Confident | 92.5 | Very high | 147 Ų | 147 | 61.4 Ų | 61.4 | 68% | 0.681 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.6 | 179.4 | -58.7 | -64.8 | 0 | 0 | 0 | 114.2 | A197 F198 T202 | A197-H200 PolarHBondContact O-N 3.31Å; F198-H200 PolarHBondContact O-N 3.5Å; H200-T202 PolarHBondContact O-N 2.92Å |
| 201 | I | 90.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | trans | -100.1 | 86.2 | -174.3 | -54.8 | 175.9 | 0 | 0 | 0 | 110.1 | A197 F198 W203 I204 | A197-I201 WeakPolarHBondContact O-CG1 3.43Å; F198-I201 HydrophobicContact CD1-CB 4.4Å; F198-I201 HydrophobicContact CD1-CD1 4.09Å; F198-I201 HydrophobicContact CD2-CD1 4.46Å; F198-I201 HydrophobicContact CE1-CD1 4.21Å; F198-I201 HydrophobicContact CG-CD1 4.21Å; F198-I201 HydrophobicContact CZ-CD1 4.47Å; F198-I201 PolarHBondContact O-N 3.24Å; I201-W203 HydrophobicContact CG2-CG 4.26Å; I201-I204 HydrophobicContact CG2-CG2 3.79Å; I201-I204 WeakPolarHBondContact O-CG1 3.34Å | ||
| 202 | T | 88.5 | Confident | 92.2 | Very high | 99 Ų | 99 | 66.5 Ų | 66.5 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -82.6 | -17.3 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | H200 I204 Y205 | H200-T202 PolarHBondContact O-N 2.92Å; T202-I204 PolarHBondContact O-N 3.29Å; T202-Y205 WeakPolarHBondContact O-CD2 3.1Å; T202-Y205 PolarHBondContact O-N 3.26Å |
| 203 | W | 88.6 | Confident | 92.1 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -68 | -18.8 | -176.1 | 75 | -93.6 | 0 | 0 | 0 | 113.5 | W63 I201 Y205 N206 A207 R211 V215 | W63-W203 AromaticContact CH2-CH2 3.83Å; W63-W203 HydrophobicContact CH2-CH2 3.83Å; W63-W203 HydrophobicContact CH2-CZ2 4.49Å; W63-W203 HydrophobicContact CH2-CZ3 4.5Å; W63-W203 HydrophobicContact CZ2-CH2 4.35Å; W63-W203 HydrophobicContact CZ3-CH2 4.39Å; I201-W203 HydrophobicContact CG2-CG 4.26Å; W203-Y205 PolarHBondContact O-N 3.21Å; W203-N206 PolarHBondContact O-N 3.46Å; W203-A207 HydrophobicContact CE3-CB 3.98Å; W203-A207 HydrophobicContact CZ3-CB 3.76Å; W203-A207 PolarHBondContact O-N 2.95Å; W203-R211 HydrophobicContact CZ3-CB 3.94Å; W203-R211 HydrophobicContact CZ3-CG 4.37Å; W203-V215 HydrophobicContact CH2-CG2 4.11Å |
| 204 | I | 91.1 | Very high | 92 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -60.3 | -30.2 | -179.8 | 65.2 | -175.8 | 0 | 0 | 0 | 112.8 | K60 W63 F198 I201 T202 N206 | K60-I204 HydrophobicContact CB-CD1 3.95Å; K60-I204 HydrophobicContact CD-CD1 4.38Å; K60-I204 HydrophobicContact CG-CD1 3.9Å; W63-I204 HydrophobicContact CD2-CB 4.45Å; W63-I204 HydrophobicContact CD2-CG2 4.05Å; W63-I204 HydrophobicContact CE3-CG2 4.45Å; W63-I204 HydrophobicContact CG-CB 4.31Å; W63-I204 HydrophobicContact CG-CG2 4.2Å; F198-I204 HydrophobicContact CD1-CD1 4.2Å; F198-I204 HydrophobicContact CE1-CG2 4.37Å; I201-I204 HydrophobicContact CG2-CG2 3.79Å; I201-I204 WeakPolarHBondContact O-CG1 3.34Å; T202-I204 PolarHBondContact O-N 3.29Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.92Å |
| 205 | Y | 88.1 | Confident | 91.9 | Very high | 81 Ų | 81 | 69.4 Ų | 69.4 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -73.7 | -26.6 | -176.2 | -54.3 | -58.4 | 0 | 0 | 0 | 113 | N56 K60 T202 W203 | N56-Y205 HydrophobicContact CB-CD1 3.88Å; N56-Y205 HydrophobicContact CB-CE1 3.77Å; N56-Y205 WeakPolarHBondContact O-CE1 3.19Å; K60-Y205 HydrophobicContact CB-CE1 4.13Å; K60-Y205 WeakPolarHBondContact CD-OH 3.43Å; T202-Y205 WeakPolarHBondContact O-CD2 3.1Å; T202-Y205 PolarHBondContact O-N 3.26Å; W203-Y205 PolarHBondContact O-N 3.21Å |
| 206 | N | 87.1 | Confident | 91.9 | Very high | 149 Ų | 149 | 70.1 Ų | 70.1 | 80% | 0.797 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -114.3 | 20.9 | -178.8 | -65 | -34.3 | 0 | 0 | 0 | 111.8 | W203 I204 S208 | W203-N206 PolarHBondContact O-N 3.46Å; I204-N206 VanDerWaalsContact C-N 3.34Å; I204-N206 PolarHBondContact O-N 2.92Å; N206-S208 PolarHBondContact O-N 2.7Å |
| 207 | A | 89.3 | Confident | 92 | Very high | 7 Ų | 7 | 71.1 Ų | 71.1 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | trans | -69.5 | 124.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W203 R211 Y212 | W203-A207 HydrophobicContact CE3-CB 3.98Å; W203-A207 HydrophobicContact CZ3-CB 3.76Å; W203-A207 PolarHBondContact O-N 2.95Å; A207-R211 HydrophobicContact CB-CB 4.39Å; A207-Y212 HydrophobicContact CB-CD2 4.05Å; A207-Y212 HydrophobicContact CB-CE2 3.55Å; A207-Y212 WeakPolarHBondContact O-CE2 3.12Å | ||
| 208 | S | 92 | Very high | 92 | Very high | 53 Ų | 53 | 74.4 Ų | 74.4 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | trans | -72.1 | 159.1 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | N206 K210 R211 Y212 | N206-S208 PolarHBondContact O-N 2.7Å; S208-K210 PolarHBondContact O-N 3.16Å; S208-K210 VanDerWaalsContact O-N 3.15Å; S208-R211 WeakPolarHBondContact O-CB 3.15Å; S208-R211 PolarHBondContact O-N 2.92Å; S208-Y212 WeakPolarHBondContact O-CD2 3.38Å; S208-Y212 PolarHBondContact O-N 2.73Å | ||
| 209 | L | 92.7 | Very high | 92.2 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -51.5 | -39.3 | 176.2 | -178.3 | 62.3 | 0 | 0 | 0 | 112.4 | R211 Y212 L213 L276 N279 | L209-R211 VanDerWaalsContact C-N 3.26Å; L209-R211 PolarHBondContact O-N 2.61Å; L209-Y212 WeakPolarHBondContact O-CB 3.32Å; L209-Y212 PolarHBondContact O-N 3.18Å; L209-Y212 VanDerWaalsContact O-N 3.15Å; L209-L213 HydrophobicContact CG-CD1 4.27Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.03Å; L209-L276 HydrophobicContact CD1-CD2 3.87Å; L209-L276 HydrophobicContact CD1-CG 4.37Å; L209-L276 HydrophobicContact CD2-CD2 4.09Å; L209-N279 HydrophobicContact CB-CB 4.29Å; L209-N279 PolarHBondContact N-ND2 3.12Å; L209-N279 PolarHBondContact N-OD1 3.11Å |
| 210 | K | 93.3 | Very high | 92.5 | Very high | 170 Ų | 170 | 74.4 Ų | 74.4 | 74% | 0.739 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.1 | -38 | 176.1 | -172.9 | 177.4 | -179.6 | 179.2 | 0 | 112.4 | S208 L214 | S208-K210 PolarHBondContact O-N 3.16Å; S208-K210 VanDerWaalsContact O-N 3.15Å; K210-L214 WeakPolarHBondContact O-CB 3.34Å; K210-L214 PolarHBondContact O-N 2.92Å |
| 211 | R | 93.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 69.9 Ų | 69.9 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 177 | -64.6 | -166.1 | -169.9 | -145.3 | 3.4 | 111.8 | W203 A207 S208 L209 L213 L214 V215 | W203-R211 HydrophobicContact CZ3-CB 3.94Å; W203-R211 HydrophobicContact CZ3-CG 4.37Å; A207-R211 HydrophobicContact CB-CB 4.39Å; S208-R211 WeakPolarHBondContact O-CB 3.15Å; S208-R211 PolarHBondContact O-N 2.92Å; L209-R211 VanDerWaalsContact C-N 3.26Å; L209-R211 PolarHBondContact O-N 2.61Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.57Å; R211-L214 PolarHBondContact O-N 2.79Å; R211-V215 WeakPolarHBondContact O-CG2 3.35Å; R211-V215 PolarHBondContact O-N 3.07Å |
| 212 | Y | 94.3 | Very high | 93 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 173.7 | -80.1 | -86.7 | 0 | 0 | 0 | 111.3 | W63 A207 S208 L209 V215 N216 L271 L274 G275 V278 | W63-Y212 AromaticContact CE2-CE1 3.5Å; W63-Y212 AromaticContact CE2-CZ 3.89Å; W63-Y212 HydrophobicContact CH2-CD1 4.46Å; W63-Y212 HydrophobicContact CH2-CE1 4.48Å; W63-Y212 AromaticContact CZ2-CD1 3.66Å; W63-Y212 HydrophobicContact CZ2-CD1 3.66Å; W63-Y212 AromaticContact CZ2-CE1 3.35Å; W63-Y212 HydrophobicContact CZ2-CE1 3.35Å; W63-Y212 HydrophobicContact CZ2-CE2 4.44Å; W63-Y212 HydrophobicContact CZ2-CG 4.32Å; W63-Y212 AromaticContact CZ2-CZ 3.78Å; W63-Y212 AromaticContact NE1-CE1 3.32Å; W63-Y212 VanDerWaalsContact NE1-CE1 3.32Å; W63-Y212 AromaticContact NE1-CZ 3.43Å; W63-Y212 PolarHBondContact NE1-OH 3.22Å; A207-Y212 HydrophobicContact CB-CD2 4.05Å; A207-Y212 HydrophobicContact CB-CE2 3.55Å; A207-Y212 WeakPolarHBondContact O-CE2 3.12Å; S208-Y212 WeakPolarHBondContact O-CD2 3.38Å; S208-Y212 PolarHBondContact O-N 2.73Å; L209-Y212 WeakPolarHBondContact O-CB 3.32Å; L209-Y212 PolarHBondContact O-N 3.18Å; L209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-V215 PolarHBondContact O-N 3.41Å; Y212-N216 WeakPolarHBondContact O-CB 3.37Å; Y212-N216 PolarHBondContact O-N 2.85Å; Y212-N216 PolarHBondContact O-ND2 2.85Å; Y212-L271 HydrophobicContact CD1-CD1 3.75Å; Y212-L271 HydrophobicContact CD1-CG 4.01Å; Y212-L271 WeakPolarHBondContact CD1-O 3.45Å; Y212-L271 HydrophobicContact CE1-CD1 3.76Å; Y212-L274 HydrophobicContact CE1-CD2 4.13Å; Y212-L274 HydrophobicContact CE1-CG 4.39Å; Y212-G275 VanDerWaalsContact CG-CA 3.49Å; Y212-V278 HydrophobicContact CE2-CG2 4.14Å |
| 213 | L | 94.6 | Very high | 93.3 | Very high | 75 Ų | 75 | 66.7 Ų | 66.7 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.7 | -66.4 | 175.1 | 0 | 0 | 0 | 112 | L209 R211 V215 N216 V217 F272 | L209-L213 HydrophobicContact CG-CD1 4.27Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CG 3.36Å; L209-L213 PolarHBondContact O-N 3.03Å; R211-L213 VanDerWaalsContact C-N 3.31Å; R211-L213 PolarHBondContact O-N 2.57Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 3.38Å; L213-N216 PolarHBondContact O-N 2.93Å; L213-V217 WeakPolarHBondContact O-CG2 3.42Å; L213-V217 PolarHBondContact O-N 3.07Å; L213-F272 HydrophobicContact CD2-CD2 3.68Å; L213-F272 HydrophobicContact CD2-CE2 3.58Å |
| 214 | L | 95.7 | Very high | 93.5 | Very high | 121 Ų | 121 | 65.5 Ų | 65.5 | 63% | 0.634 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 179.5 | -176.7 | 65.5 | 0 | 0 | 0 | 111.8 | K210 R211 V217 F218 | K210-L214 WeakPolarHBondContact O-CB 3.34Å; K210-L214 PolarHBondContact O-N 2.92Å; R211-L214 PolarHBondContact O-N 2.79Å; L214-V217 PolarHBondContact O-N 2.95Å; L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.38Å |
| 215 | V | 95.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 16% | 0.164 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | W63 W203 R211 Y212 L213 V217 F218 L219 L271 | W63-V215 HydrophobicContact CH2-CB 4.1Å; W63-V215 HydrophobicContact CH2-CG1 4.06Å; W63-V215 HydrophobicContact CH2-CG2 3.92Å; W63-V215 HydrophobicContact CZ3-CB 4.36Å; W63-V215 HydrophobicContact CZ3-CG1 3.84Å; W63-V215 HydrophobicContact CZ3-CG2 4.24Å; W203-V215 HydrophobicContact CH2-CG2 4.11Å; R211-V215 WeakPolarHBondContact O-CG2 3.35Å; R211-V215 PolarHBondContact O-N 3.07Å; Y212-V215 PolarHBondContact O-N 3.41Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-V215 PolarHBondContact O-N 3.38Å; V215-V217 VanDerWaalsContact C-N 3.35Å; V215-V217 PolarHBondContact O-N 3.33Å; V215-F218 WeakPolarHBondContact O-CB 3.4Å; V215-F218 PolarHBondContact O-N 2.87Å; V215-L219 HydrophobicContact CG1-CD1 3.81Å; V215-L219 HydrophobicContact CG1-CG 3.99Å; V215-L219 VanDerWaalsContact O-CG 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.78Å; V215-L271 HydrophobicContact CB-CD2 4.43Å; V215-L271 HydrophobicContact CG1-CD2 3.81Å |
| 216 | N | 95.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 175.8 | -86.8 | -74.5 | 0 | 0 | 0 | 111.9 | Y212 L213 F218 L219 L220 L268 F272 | Y212-N216 WeakPolarHBondContact O-CB 3.37Å; Y212-N216 PolarHBondContact O-N 2.85Å; Y212-N216 PolarHBondContact O-ND2 2.85Å; L213-N216 PolarHBondContact O-N 2.93Å; N216-F218 VanDerWaalsContact C-N 3.31Å; N216-F218 PolarHBondContact O-N 3.17Å; N216-L219 PolarHBondContact O-N 2.88Å; N216-L220 WeakPolarHBondContact O-CB 3.07Å; N216-L220 PolarHBondContact O-N 3.39Å; N216-L268 HydrophobicContact CB-CD2 4.21Å; N216-L268 WeakPolarHBondContact O-CD2 3.31Å; N216-L268 WeakPolarHBondContact OD1-CA 3.37Å; N216-L268 WeakPolarHBondContact OD1-CB 3.41Å; N216-L268 VanDerWaalsContact OD1-CD2 3.31Å; N216-L268 WeakPolarHBondContact OD1-CD2 3.42Å; N216-L268 PolarHBondContact OD1-O 3.45Å; N216-F272 PolarHBondContact ND2-N 2.88Å |
| 217 | V | 95.7 | Very high | 94.1 | Very high | 88 Ų | 88 | 62.5 Ų | 62.5 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L213 L214 V215 S221 | L213-V217 WeakPolarHBondContact O-CG2 3.42Å; L213-V217 PolarHBondContact O-N 3.07Å; L214-V217 PolarHBondContact O-N 2.95Å; V215-V217 VanDerWaalsContact C-N 3.35Å; V215-V217 PolarHBondContact O-N 3.33Å; V217-S221 WeakPolarHBondContact O-CB 3.35Å; V217-S221 PolarHBondContact O-N 2.99Å; V217-S221 PolarHBondContact O-OG 3.32Å |
| 218 | F | 96.2 | Very high | 94.3 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 52% | 0.522 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 177.2 | 171.7 | -97.8 | 0 | 0 | 0 | 112.2 | L214 V215 N216 L220 S221 F222 | L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.38Å; V215-F218 WeakPolarHBondContact O-CB 3.4Å; V215-F218 PolarHBondContact O-N 2.87Å; N216-F218 VanDerWaalsContact C-N 3.31Å; N216-F218 PolarHBondContact O-N 3.17Å; F218-L220 VanDerWaalsContact C-N 3.34Å; F218-L220 PolarHBondContact O-N 3.08Å; F218-S221 PolarHBondContact O-N 3.37Å; F218-F222 HydrophobicContact CZ-CD2 4.44Å; F218-F222 VanDerWaalsContact O-CB 3.29Å; F218-F222 WeakPolarHBondContact O-CB 3.46Å; F218-F222 PolarHBondContact O-N 3.38Å |
| 219 | L | 95.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | -178.7 | -67.4 | 177 | 0 | 0 | 0 | 111.7 | V66 W70 V215 N216 A223 L268 L271 | V66-L219 HydrophobicContact CG1-CD1 4.14Å; W70-L219 HydrophobicContact CD2-CD2 3.71Å; W70-L219 HydrophobicContact CE3-CD2 4.32Å; W70-L219 HydrophobicContact CG-CD2 3.81Å; W70-L219 HydrophobicContact CZ2-CD2 4.16Å; W70-L219 PolarHBondContact NE1-O 3.44Å; W70-L219 VanDerWaalsContact NE1-O 3.12Å; V215-L219 HydrophobicContact CG1-CD1 3.81Å; V215-L219 HydrophobicContact CG1-CG 3.99Å; V215-L219 VanDerWaalsContact O-CG 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.78Å; N216-L219 PolarHBondContact O-N 2.88Å; L219-A223 WeakPolarHBondContact O-CB 3.43Å; L219-A223 PolarHBondContact O-N 3.28Å; L219-A223 VanDerWaalsContact O-N 3.14Å; L219-L268 HydrophobicContact CB-CD2 3.91Å; L219-L268 HydrophobicContact CD1-CD2 4.47Å; L219-L271 HydrophobicContact CD1-CD2 4.21Å |
| 220 | L | 95.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 35% | 0.346 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -51.5 | 176.4 | -179.6 | 60.1 | 0 | 0 | 0 | 111.5 | N216 F218 F222 A223 I224 L264 L268 | N216-L220 WeakPolarHBondContact O-CB 3.07Å; N216-L220 PolarHBondContact O-N 3.39Å; F218-L220 VanDerWaalsContact C-N 3.34Å; F218-L220 PolarHBondContact O-N 3.08Å; L220-F222 VanDerWaalsContact C-N 3.32Å; L220-F222 PolarHBondContact O-N 3.39Å; L220-A223 PolarHBondContact O-N 2.9Å; L220-I224 HydrophobicContact CD1-CD1 3.74Å; L220-I224 HydrophobicContact CD1-CG1 4.17Å; L220-I224 HydrophobicContact CG-CD1 3.83Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.09Å; L220-L264 HydrophobicContact CD1-CD2 3.98Å; L220-L268 HydrophobicContact CB-CD1 3.76Å; L220-L268 HydrophobicContact CB-CD2 4.44Å; L220-L268 HydrophobicContact CD1-CD1 3.76Å; L220-L268 HydrophobicContact CD2-CD1 4.4Å; L220-L268 HydrophobicContact CG-CD1 4.17Å |
| 221 | S | 95.4 | Very high | 94.2 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | -178.2 | -58.1 | 0 | 0 | 0 | 0 | 111 | V217 F218 I224 C225 | V217-S221 WeakPolarHBondContact O-CB 3.35Å; V217-S221 PolarHBondContact O-N 2.99Å; V217-S221 PolarHBondContact O-OG 3.32Å; F218-S221 PolarHBondContact O-N 3.37Å; S221-I224 PolarHBondContact O-N 3.04Å; S221-C225 VanDerWaalsContact O-CB 3.3Å; S221-C225 WeakPolarHBondContact O-CB 3.36Å; S221-C225 PolarHBondContact O-N 2.88Å; S221-C225 PolarHBondContact O-SG 3.3Å |
| 222 | F | 96 | Very high | 94.2 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 177 | -173.6 | -78.9 | 0 | 0 | 0 | 111.4 | W70 I74 F218 L220 I224 C225 F226 | W70-F222 AromaticContact CH2-CD1 3.77Å; W70-F222 HydrophobicContact CH2-CD1 3.77Å; W70-F222 AromaticContact CH2-CE1 3.85Å; W70-F222 HydrophobicContact CH2-CE1 3.85Å; W70-F222 HydrophobicContact CH2-CG 4.2Å; W70-F222 HydrophobicContact CH2-CZ 4.36Å; W70-F222 HydrophobicContact CZ2-CB 3.96Å; W70-F222 AromaticContact CZ2-CD1 3.25Å; W70-F222 HydrophobicContact CZ2-CD1 3.25Å; W70-F222 HydrophobicContact CZ2-CD2 4.5Å; W70-F222 AromaticContact CZ2-CE1 3.81Å; W70-F222 HydrophobicContact CZ2-CE1 3.81Å; W70-F222 AromaticContact CZ2-CG 3.66Å; W70-F222 HydrophobicContact CZ2-CG 3.66Å; I74-F222 HydrophobicContact CD1-CD1 3.94Å; I74-F222 HydrophobicContact CD1-CE1 3.84Å; I74-F222 HydrophobicContact CG1-CD1 4.49Å; I74-F222 HydrophobicContact CG1-CE1 4.17Å; I74-F222 HydrophobicContact CG2-CE1 4.44Å; F218-F222 HydrophobicContact CZ-CD2 4.44Å; F218-F222 VanDerWaalsContact O-CB 3.29Å; F218-F222 WeakPolarHBondContact O-CB 3.46Å; F218-F222 PolarHBondContact O-N 3.38Å; L220-F222 VanDerWaalsContact C-N 3.32Å; L220-F222 PolarHBondContact O-N 3.39Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.26Å; F222-C225 PolarHBondContact O-N 3.41Å; F222-F226 HydrophobicContact CD1-CB 4.41Å; F222-F226 HydrophobicContact CE1-CB 4.3Å; F222-F226 HydrophobicContact CE1-CG 4.46Å; F222-F226 WeakPolarHBondContact O-CB 3.3Å; F222-F226 PolarHBondContact O-N 3.47Å |
| 223 | A | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | W77 L219 L220 Y227 L264 | W77-A223 HydrophobicContact CH2-CB 4.32Å; W77-A223 HydrophobicContact CZ3-CB 4.23Å; L219-A223 WeakPolarHBondContact O-CB 3.43Å; L219-A223 PolarHBondContact O-N 3.28Å; L219-A223 VanDerWaalsContact O-N 3.14Å; L220-A223 PolarHBondContact O-N 2.9Å; A223-Y227 VanDerWaalsContact O-CB 3.3Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 PolarHBondContact O-N 3.4Å; A223-L264 HydrophobicContact CB-CD1 4.31Å; A223-L264 HydrophobicContact CB-CD2 3.6Å |
| 224 | I | 93.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.8 | -49.4 | 175.8 | -66.9 | 171.3 | 0 | 0 | 0 | 110.7 | L220 S221 F222 F226 Y227 L228 | L220-I224 HydrophobicContact CD1-CD1 3.74Å; L220-I224 HydrophobicContact CD1-CG1 4.17Å; L220-I224 HydrophobicContact CG-CD1 3.83Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.09Å; S221-I224 PolarHBondContact O-N 3.04Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.26Å; I224-F226 VanDerWaalsContact C-N 3.28Å; I224-F226 PolarHBondContact O-N 3.38Å; I224-Y227 WeakPolarHBondContact O-CB 3.42Å; I224-Y227 PolarHBondContact O-N 3.34Å; I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.36Å; I224-L228 WeakPolarHBondContact O-CG 3.23Å; I224-L228 PolarHBondContact O-N 3.45Å |
| 225 | C | 94.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 57% | 0.568 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.2 | -41.7 | 178.4 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | S221 F222 L228 L229 | S221-C225 VanDerWaalsContact O-CB 3.3Å; S221-C225 WeakPolarHBondContact O-CB 3.36Å; S221-C225 PolarHBondContact O-N 2.88Å; S221-C225 PolarHBondContact O-SG 3.3Å; F222-C225 PolarHBondContact O-N 3.41Å; C225-L228 PolarHBondContact O-N 3.12Å; C225-L229 WeakPolarHBondContact O-CB 3.4Å; C225-L229 PolarHBondContact O-N 3.14Å |
| 226 | F | 93.8 | Very high | 93 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 17% | 0.167 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 178 | -166.7 | -105.3 | 0 | 0 | 0 | 112 | I74 W77 I78 F222 I224 L228 L229 L230 | I74-F226 HydrophobicContact CD1-CD1 4.28Å; I74-F226 HydrophobicContact CG2-CE1 4.44Å; W77-F226 HydrophobicContact CB-CD1 4.41Å; W77-F226 HydrophobicContact CB-CE1 3.82Å; W77-F226 HydrophobicContact CD2-CD1 4.42Å; W77-F226 AromaticContact CE3-CD1 3.56Å; W77-F226 HydrophobicContact CE3-CD1 3.56Å; W77-F226 HydrophobicContact CE3-CE1 4.09Å; W77-F226 HydrophobicContact CZ3-CD1 4.14Å; I78-F226 HydrophobicContact CD1-CZ 4.12Å; I78-F226 HydrophobicContact CG1-CE1 4.08Å; I78-F226 HydrophobicContact CG1-CZ 3.57Å; F222-F226 HydrophobicContact CD1-CB 4.41Å; F222-F226 HydrophobicContact CE1-CB 4.3Å; F222-F226 HydrophobicContact CE1-CG 4.46Å; F222-F226 WeakPolarHBondContact O-CB 3.3Å; F222-F226 PolarHBondContact O-N 3.47Å; I224-F226 VanDerWaalsContact C-N 3.28Å; I224-F226 PolarHBondContact O-N 3.38Å; F226-L228 PolarHBondContact O-N 2.97Å; F226-L229 PolarHBondContact O-N 2.96Å; F226-L230 HydrophobicContact CD1-CD1 3.88Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.69Å; F226-L230 HydrophobicContact CE1-CD2 4.48Å; F226-L230 HydrophobicContact CE1-CG 4.2Å; F226-L230 HydrophobicContact CZ-CD1 4.42Å; F226-L230 HydrophobicContact CZ-CD2 4.44Å; F226-L230 WeakPolarHBondContact O-CG 3.48Å; F226-L230 PolarHBondContact O-N 3.44Å |
| 227 | Y | 91.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 172 | 171.4 | -90 | 0 | 0 | 0 | 112.2 | W77 A223 I224 L229 L230 K231 P237 F261 | W77-Y227 HydrophobicContact CZ2-CD2 4.5Å; A223-Y227 VanDerWaalsContact O-CB 3.3Å; A223-Y227 WeakPolarHBondContact O-CB 3.49Å; A223-Y227 PolarHBondContact O-N 3.4Å; I224-Y227 WeakPolarHBondContact O-CB 3.42Å; I224-Y227 PolarHBondContact O-N 3.34Å; Y227-L229 VanDerWaalsContact C-N 3.34Å; Y227-L230 PolarHBondContact O-N 3.4Å; Y227-K231 PolarHBondContact O-N 2.9Å; Y227-K231 VanDerWaalsContact O-N 3.08Å; Y227-P237 HydrophobicContact CD2-CB 3.67Å; Y227-P237 HydrophobicContact CD2-CG 3.57Å; Y227-P237 HydrophobicContact CE2-CB 3.66Å; Y227-P237 HydrophobicContact CE2-CG 3.52Å; Y227-P237 HydrophobicContact CG-CG 4.44Å; Y227-F261 HydrophobicContact CD1-CZ 4.33Å; Y227-F261 AromaticContact CD2-CE2 3.79Å; Y227-F261 HydrophobicContact CD2-CE2 3.79Å; Y227-F261 AromaticContact CD2-CZ 3.56Å; Y227-F261 HydrophobicContact CD2-CZ 3.56Å; Y227-F261 AromaticContact CE2-CE2 3.79Å; Y227-F261 HydrophobicContact CE2-CE2 3.79Å; Y227-F261 AromaticContact CE2-CZ 3.92Å; Y227-F261 HydrophobicContact CE2-CZ 3.92Å; Y227-F261 HydrophobicContact CG-CE2 4.47Å; Y227-F261 AromaticContact CG-CZ 3.8Å; Y227-F261 HydrophobicContact CG-CZ 3.8Å |
| 228 | L | 93 | Very high | 91.8 | Very high | 89 Ų | 89 | 74.7 Ų | 74.7 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.1 | -68.6 | 175.1 | 0 | 0 | 0 | 111.7 | I224 C225 F226 K231 L232 | I224-L228 HydrophobicContact CG2-CD1 3.97Å; I224-L228 HydrophobicContact CG2-CG 4.36Å; I224-L228 WeakPolarHBondContact O-CG 3.23Å; I224-L228 PolarHBondContact O-N 3.45Å; C225-L228 PolarHBondContact O-N 3.12Å; F226-L228 PolarHBondContact O-N 2.97Å; L228-K231 PolarHBondContact O-N 2.84Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.41Å |
| 229 | L | 93.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.2 | 178.1 | 65.2 | 0 | 0 | 0 | 111.7 | C225 F226 Y227 K231 L232 L233 | C225-L229 WeakPolarHBondContact O-CB 3.4Å; C225-L229 PolarHBondContact O-N 3.14Å; F226-L229 PolarHBondContact O-N 2.96Å; Y227-L229 VanDerWaalsContact C-N 3.34Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 3.37Å; L229-L232 WeakPolarHBondContact O-CB 3.3Å; L229-L232 PolarHBondContact O-N 2.86Å; L229-L233 HydrophobicContact CD1-CD1 4.25Å; L229-L233 HydrophobicContact CD1-CG 4.46Å; L229-L233 HydrophobicContact CG-CD1 4.17Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 2.89Å |
| 230 | L | 91.4 | Very high | 91.1 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.1 | -70.3 | 169.4 | 0 | 0 | 0 | 111.7 | W77 F226 Y227 L232 L233 D234 F235 P237 | W77-L230 HydrophobicContact CB-CD1 3.74Å; W77-L230 HydrophobicContact CD2-CD1 4.46Å; W77-L230 HydrophobicContact CG-CD1 4.08Å; F226-L230 HydrophobicContact CD1-CD1 3.88Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.69Å; F226-L230 HydrophobicContact CE1-CD2 4.48Å; F226-L230 HydrophobicContact CE1-CG 4.2Å; F226-L230 HydrophobicContact CZ-CD1 4.42Å; F226-L230 HydrophobicContact CZ-CD2 4.44Å; F226-L230 WeakPolarHBondContact O-CG 3.48Å; F226-L230 PolarHBondContact O-N 3.44Å; Y227-L230 PolarHBondContact O-N 3.4Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.95Å; L230-L233 CarbonylContact O-C 3.36Å; L230-L233 PolarHBondContact O-N 2.92Å; L230-L233 VanDerWaalsContact O-N 3.1Å; L230-D234 PolarHBondContact O-N 3.23Å; L230-F235 CarbonylContact C-O 3.58Å; L230-F235 HydrophobicContact CB-CB 4.29Å; L230-F235 HydrophobicContact CD2-CB 4.32Å; L230-F235 PolarHBondContact O-N 3Å; L230-P237 HydrophobicContact CB-CG 4.12Å |
| 231 | K | 90.8 | Very high | 90.7 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.7 | -36.6 | 176.4 | -171.3 | 174.5 | 179.2 | 176.7 | 0 | 112.5 | Y227 L228 L229 L233 D234 | Y227-K231 PolarHBondContact O-N 2.9Å; Y227-K231 VanDerWaalsContact O-N 3.08Å; L228-K231 PolarHBondContact O-N 2.84Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 3.37Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 3.22Å; K231-D234 PolarHBondContact O-N 2.86Å |
| 232 | L | 93.3 | Very high | 90.4 | Very high | 142 Ų | 142 | 67.8 Ų | 67.8 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.7 | -27.3 | 174 | -76.7 | 165.6 | 0 | 0 | 0 | 112.8 | L228 L229 L230 D234 | L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.41Å; L229-L232 WeakPolarHBondContact O-CB 3.3Å; L229-L232 PolarHBondContact O-N 2.86Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.95Å; L232-D234 VanDerWaalsContact C-N 3.28Å |
| 233 | L | 92.2 | Very high | 90.1 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 53% | 0.529 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 15 | 176.5 | -65.6 | 173.3 | 0 | 0 | 0 | 112.6 | L229 L230 K231 F235 | L229-L233 HydrophobicContact CD1-CD1 4.25Å; L229-L233 HydrophobicContact CD1-CG 4.46Å; L229-L233 HydrophobicContact CG-CD1 4.17Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 2.89Å; L230-L233 CarbonylContact O-C 3.36Å; L230-L233 PolarHBondContact O-N 2.92Å; L230-L233 VanDerWaalsContact O-N 3.1Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 3.22Å; L233-F235 HydrophobicContact CB-CD2 3.7Å; L233-F235 HydrophobicContact CB-CE2 4.09Å; L233-F235 VanDerWaalsContact O-CD2 3.25Å; L233-F235 WeakPolarHBondContact O-CD2 3.3Å; L233-F235 PolarHBondContact O-N 3.39Å |
| 234 | D | 88.3 | Confident | 89.8 | Confident | 156 Ų | 156 | 66.5 Ų | 66.5 | 83% | 0.834 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.4 | -177.5 | -67.9 | -45.6 | 0 | 0 | 0 | 115.3 | L230 K231 L232 | L230-D234 PolarHBondContact O-N 3.23Å; K231-D234 PolarHBondContact O-N 2.86Å; L232-D234 VanDerWaalsContact C-N 3.28Å |
| 235 | F | 87.7 | Confident | 89.6 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | trans | -90.5 | 112.6 | 168.9 | -68.8 | -81.5 | 0 | 0 | 0 | 109.8 | L230 L233 P237 | L230-F235 CarbonylContact C-O 3.58Å; L230-F235 HydrophobicContact CB-CB 4.29Å; L230-F235 HydrophobicContact CD2-CB 4.32Å; L230-F235 PolarHBondContact O-N 3Å; L233-F235 HydrophobicContact CB-CD2 3.7Å; L233-F235 HydrophobicContact CB-CE2 4.09Å; L233-F235 VanDerWaalsContact O-CD2 3.25Å; L233-F235 WeakPolarHBondContact O-CD2 3.3Å; L233-F235 PolarHBondContact O-N 3.39Å; F235-P237 WeakPolarHBondContact O-CD 3.29Å | ||
| 236 | D | 86 | Confident | 89.4 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | trans | -70.6 | 112.4 | 174.4 | 176.1 | 15.5 | 0 | 0 | 0 | 110.6 | L238 W239 | D236-L238 PolarHBondContact O-N 3.13Å; D236-L238 PolarHBondContact OD1-N 3.31Å; D236-W239 HydrophobicContact CB-CB 4.36Å; D236-W239 WeakPolarHBondContact O-CB 3.29Å; D236-W239 PolarHBondContact O-N 2.9Å; D236-W239 WeakPolarHBondContact OD2-CA 3.33Å; D236-W239 PolarHBondContact OD2-N 3.43Å | ||
| 237 | P | 80.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.5 | 179.9 | -17.4 | 35.4 | 0 | 0 | 0 | 113.1 | Y227 L230 F235 | Y227-P237 HydrophobicContact CD2-CB 3.67Å; Y227-P237 HydrophobicContact CD2-CG 3.57Å; Y227-P237 HydrophobicContact CE2-CB 3.66Å; Y227-P237 HydrophobicContact CE2-CG 3.52Å; Y227-P237 HydrophobicContact CG-CG 4.44Å; L230-P237 HydrophobicContact CB-CG 4.12Å; F235-P237 WeakPolarHBondContact O-CD 3.29Å |
| 238 | L | 84.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 38% | 0.377 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 6 | -179.2 | -63.3 | 174.6 | 0 | 0 | 0 | 113 | D236 S240 V241 A242 | D236-L238 PolarHBondContact O-N 3.13Å; D236-L238 PolarHBondContact OD1-N 3.31Å; L238-S240 PolarHBondContact O-N 3.03Å; L238-V241 HydrophobicContact CB-CG2 4.46Å; L238-V241 HydrophobicContact CD2-CG2 4.09Å; L238-V241 VanDerWaalsContact O-CB 3.3Å; L238-V241 WeakPolarHBondContact O-CB 3.24Å; L238-V241 PolarHBondContact O-N 3.17Å; L238-A242 PolarHBondContact O-N 3.49Å |
| 239 | W | 89.1 | Confident | 89.1 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -49.6 | -39.6 | 179.7 | 74.6 | -86 | 0 | 0 | 0 | 113.2 | Y80 W86 P113 D236 V241 A242 K243 | Y80-W239 HydrophobicContact CD1-CD2 4.3Å; Y80-W239 AromaticContact CD1-CE2 3.73Å; Y80-W239 HydrophobicContact CD1-CH2 4.21Å; Y80-W239 AromaticContact CD1-CZ2 3.67Å; Y80-W239 HydrophobicContact CD1-CZ2 3.67Å; Y80-W239 AromaticContact CD2-CD1 3.89Å; Y80-W239 AromaticContact CD2-CE2 3.9Å; Y80-W239 HydrophobicContact CD2-CZ2 4.39Å; Y80-W239 AromaticContact CD2-NE1 3.35Å; Y80-W239 AromaticContact CE1-CD2 3.57Å; Y80-W239 HydrophobicContact CE1-CD2 3.57Å; Y80-W239 AromaticContact CE1-CE2 3.47Å; Y80-W239 VanDerWaalsContact CE1-CE2 3.47Å; Y80-W239 HydrophobicContact CE1-CE3 4Å; Y80-W239 HydrophobicContact CE1-CG 4Å; Y80-W239 HydrophobicContact CE1-CH2 4.19Å; Y80-W239 AromaticContact CE1-CZ2 3.79Å; Y80-W239 HydrophobicContact CE1-CZ2 3.79Å; Y80-W239 HydrophobicContact CE1-CZ3 4.3Å; Y80-W239 AromaticContact CE1-NE1 3.83Å; Y80-W239 AromaticContact CE2-CD1 3.13Å; Y80-W239 AromaticContact CE2-CD2 3.99Å; Y80-W239 HydrophobicContact CE2-CD2 3.99Å; Y80-W239 AromaticContact CE2-CE2 3.66Å; Y80-W239 AromaticContact CE2-CG 3.66Å; Y80-W239 HydrophobicContact CE2-CG 3.66Å; Y80-W239 AromaticContact CE2-NE1 3.08Å; Y80-W239 AromaticContact CG-CE2 3.95Å; Y80-W239 AromaticContact CG-CZ2 4Å; Y80-W239 HydrophobicContact CG-CZ2 4Å; Y80-W239 AromaticContact CG-NE1 3.86Å; Y80-W239 AromaticContact CZ-CD1 3.31Å; Y80-W239 AromaticContact CZ-CD2 3.39Å; Y80-W239 AromaticContact CZ-CE2 3.44Å; Y80-W239 VanDerWaalsContact CZ-CE2 3.44Å; Y80-W239 AromaticContact CZ-CG 3.29Å; Y80-W239 AromaticContact CZ-NE1 3.35Å; Y80-W239 WeakPolarHBondContact OH-CB 3.46Å; W86-W239 HydrophobicContact CZ2-CH2 4.19Å; W86-W239 HydrophobicContact CZ2-CZ3 4.32Å; P113-W239 HydrophobicContact CB-CZ2 4.26Å; D236-W239 HydrophobicContact CB-CB 4.36Å; D236-W239 WeakPolarHBondContact O-CB 3.29Å; D236-W239 PolarHBondContact O-N 2.9Å; D236-W239 WeakPolarHBondContact OD2-CA 3.33Å; D236-W239 PolarHBondContact OD2-N 3.43Å; W239-V241 VanDerWaalsContact C-N 3.32Å; W239-V241 PolarHBondContact O-N 2.93Å; W239-A242 PolarHBondContact O-N 3.31Å; W239-K243 HydrophobicContact CE3-CG 3.94Å; W239-K243 HydrophobicContact CZ3-CG 4.11Å; W239-K243 WeakPolarHBondContact O-CG 3.43Å; W239-K243 PolarHBondContact O-N 2.87Å; W239-K243 VanDerWaalsContact O-N 3.12Å |
| 240 | S | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.3 | -29.8 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | T111 P113 L238 K243 A244 | T111-S240 CarbonylContact O-C 3.46Å; T111-S240 WeakPolarHBondContact O-CB 3.38Å; T111-S240 PolarHBondContact O-OG 2.95Å; T111-S240 VanDerWaalsContact O-OG 3.09Å; P113-S240 WeakPolarHBondContact CD-OG 3.27Å; L238-S240 PolarHBondContact O-N 3.03Å; S240-K243 PolarHBondContact O-N 3.39Å; S240-A244 WeakPolarHBondContact O-CB 3.43Å; S240-A244 PolarHBondContact O-N 2.86Å |
| 241 | V | 87.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 15% | 0.145 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | T111 L238 W239 K243 A244 K245 | T111-V241 PolarHBondContact O-N 3.25Å; L238-V241 HydrophobicContact CB-CG2 4.46Å; L238-V241 HydrophobicContact CD2-CG2 4.09Å; L238-V241 VanDerWaalsContact O-CB 3.3Å; L238-V241 WeakPolarHBondContact O-CB 3.24Å; L238-V241 PolarHBondContact O-N 3.17Å; W239-V241 VanDerWaalsContact C-N 3.32Å; W239-V241 PolarHBondContact O-N 2.93Å; V241-K243 VanDerWaalsContact C-N 3.34Å; V241-A244 PolarHBondContact O-N 3.49Å; V241-K245 HydrophobicContact CG1-CD 4.48Å; V241-K245 WeakPolarHBondContact O-CG 3.34Å; V241-K245 PolarHBondContact O-N 3.31Å |
| 242 | A | 88.6 | Confident | 87.9 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L238 W239 K245 M246 | L238-A242 PolarHBondContact O-N 3.49Å; W239-A242 PolarHBondContact O-N 3.31Å; A242-K245 PolarHBondContact O-N 2.89Å; A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 3.5Å; A242-M246 VanDerWaalsContact O-N 3.08Å |
| 243 | K | 89.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 24% | 0.235 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.8 | -66 | -68.4 | 176.8 | -173.5 | 0 | 112.5 | W86 E90 W239 S240 V241 M246 W247 | W86-K243 HydrophobicContact CD2-CB 3.97Å; W86-K243 HydrophobicContact CE3-CB 4.08Å; W86-K243 HydrophobicContact CG-CB 4.2Å; E90-K243 HydrophobicContact CG-CD 4.39Å; E90-K243 IonicContact OE1-NZ 2.73Å; E90-K243 PolarHBondContact OE1-NZ 3.09Å; E90-K243 IonicContact OE2-NZ 2.72Å; E90-K243 PolarHBondContact OE2-NZ 3.49Å; W239-K243 HydrophobicContact CE3-CG 3.94Å; W239-K243 HydrophobicContact CZ3-CG 4.11Å; W239-K243 WeakPolarHBondContact O-CG 3.43Å; W239-K243 PolarHBondContact O-N 2.87Å; W239-K243 VanDerWaalsContact O-N 3.12Å; S240-K243 PolarHBondContact O-N 3.39Å; V241-K243 VanDerWaalsContact C-N 3.34Å; K243-M246 PolarHBondContact O-N 3.45Å; K243-W247 PolarHBondContact O-N 3.3Å; K243-W247 VanDerWaalsContact O-N 3.07Å |
| 244 | A | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y85 W86 T111 S240 V241 M246 C248 | Y85-A244 WeakPolarHBondContact OH-CA 3.5Å; Y85-A244 WeakPolarHBondContact OH-CB 3.15Å; W86-A244 HydrophobicContact CZ3-CB 4.12Å; T111-A244 HydrophobicContact CG2-CB 4.33Å; S240-A244 WeakPolarHBondContact O-CB 3.43Å; S240-A244 PolarHBondContact O-N 2.86Å; V241-A244 PolarHBondContact O-N 3.49Å; A244-M246 VanDerWaalsContact C-N 3.29Å; A244-M246 PolarHBondContact O-N 3.47Å; A244-C248 WeakPolarHBondContact O-CB 3.26Å; A244-C248 PolarHBondContact O-N 3.44Å |
| 245 | K | 88.6 | Confident | 86.1 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 61% | 0.613 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.7 | -34 | 176.6 | -74.3 | -179.8 | 177.8 | -176.4 | 0 | 113.5 | V241 A242 I254 | V241-K245 HydrophobicContact CG1-CD 4.48Å; V241-K245 WeakPolarHBondContact O-CG 3.34Å; V241-K245 PolarHBondContact O-N 3.31Å; A242-K245 PolarHBondContact O-N 2.89Å; K245-I254 HydrophobicContact CB-CD1 4.36Å; K245-I254 HydrophobicContact CG-CD1 3.98Å |
| 246 | M | 90.6 | Very high | 85.3 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 61% | 0.606 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -78.2 | -38.8 | -177.4 | -174.6 | 175.5 | -179.2 | 0 | 0 | 113.2 | A242 K243 A244 | A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 3.5Å; A242-M246 VanDerWaalsContact O-N 3.08Å; K243-M246 PolarHBondContact O-N 3.45Å; A244-M246 VanDerWaalsContact C-N 3.29Å; A244-M246 PolarHBondContact O-N 3.47Å |
| 247 | W | 91.2 | Very high | 84.3 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -112.1 | 0.7 | -168 | -62.9 | 109.7 | 0 | 0 | 0 | 114.7 | Y85 W86 H89 E90 Q104 K243 | Y85-W247 HydrophobicContact CD2-CB 4.34Å; Y85-W247 HydrophobicContact CE2-CB 4.32Å; W86-W247 HydrophobicContact CB-CB 3.77Å; W86-W247 HydrophobicContact CB-CG 3.83Å; H89-W247 HydrophobicContact CB-CD2 3.75Å; H89-W247 HydrophobicContact CB-CE3 3.55Å; H89-W247 HydrophobicContact CB-CH2 3.54Å; H89-W247 HydrophobicContact CB-CZ2 3.7Å; H89-W247 HydrophobicContact CB-CZ3 3.45Å; H89-W247 VanDerWaalsContact CB-CZ3 3.45Å; H89-W247 AromaticContact CD2-CE3 3.51Å; H89-W247 AromaticContact CG-CE3 3.45Å; H89-W247 VanDerWaalsContact CG-CE3 3.45Å; H89-W247 AromaticContact CG-CZ3 3.51Å; H89-W247 AromaticContact ND1-CZ3 3.85Å; E90-W247 HydrophobicContact CG-CZ2 4.47Å; E90-W247 PolarHBondContact OE1-NE1 2.92Å; Q104-W247 PolarHBondContact NE2-O 2.92Å; K243-W247 PolarHBondContact O-N 3.3Å; K243-W247 VanDerWaalsContact O-N 3.07Å |
| 248 | C | 90.9 | Very high | 83.7 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -71.2 | 133.2 | 172.7 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | C109 A244 N250 I254 | C109-C248 HydrophobicContact CB-CB 3.71Å; C109-C248 WeakPolarHBondContact CB-SG 3.46Å; C109-C248 WeakPolarHBondContact SG-CA 3.41Å; C109-C248 WeakPolarHBondContact SG-CB 3.24Å; C109-C248 CovalentContact SG-SG 2.02Å; C109-C248 PolarHBondContact SG-SG 3.14Å; A244-C248 WeakPolarHBondContact O-CB 3.26Å; A244-C248 PolarHBondContact O-N 3.44Å; C248-N250 VanDerWaalsContact C-N 3.3Å; C248-N250 PolarHBondContact O-N 3.28Å; C248-N250 PolarHBondContact SG-O 3.02Å; C248-I254 HydrophobicContact CB-CD1 4.09Å; C248-I254 HydrophobicContact CB-CG1 4.04Å | ||
| 249 | A | 88.9 | Confident | 83.5 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -67.5 | -28.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q104 W253 | Q104-A249 HydrophobicContact CB-CB 4.25Å; A249-W253 HydrophobicContact CB-CZ3 4Å |
| 250 | N | 86.9 | Confident | 83 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -136.6 | 120.9 | 177.1 | -178 | -13.1 | 0 | 0 | 0 | 110.3 | C248 D252 W253 | C248-N250 VanDerWaalsContact C-N 3.3Å; C248-N250 PolarHBondContact O-N 3.28Å; C248-N250 PolarHBondContact SG-O 3.02Å; N250-D252 PolarHBondContact O-N 2.86Å; N250-D252 VanDerWaalsContact O-N 3.12Å; N250-D252 WeakPolarHBondContact OD1-CB 3.45Å; N250-D252 PolarHBondContact OD1-N 3.08Å; N250-W253 HydrophobicContact CB-CD2 3.58Å; N250-W253 HydrophobicContact CB-CE3 3.92Å; N250-W253 HydrophobicContact CB-CG 3.94Å; N250-W253 HydrophobicContact CB-CH2 4.37Å; N250-W253 HydrophobicContact CB-CZ2 4.05Å; N250-W253 HydrophobicContact CB-CZ3 4.3Å; N250-W253 PolarHBondContact ND2-NE1 3.49Å; N250-W253 WeakPolarHBondContact O-CB 3.17Å; N250-W253 PolarHBondContact O-N 2.96Å | ||
| 251 | P | 82.7 | Confident | 82.7 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -58.6 | -26.3 | -179.7 | 25.4 | -35.6 | 0 | 0 | 0 | 113.7 | W253 I254 | P251-W253 PolarHBondContact O-N 3.5Å; P251-I254 WeakPolarHBondContact O-CB 3.23Å; P251-I254 PolarHBondContact O-N 3.5Å; P251-I254 VanDerWaalsContact O-N 3.15Å |
| 252 | D | 82.2 | Confident | 82.6 | Confident | 125 Ų | 125 | 61.6 Ų | 61.6 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -68.5 | -17.2 | 177.8 | -64 | -30.2 | 0 | 0 | 0 | 113.1 | N250 I254 | N250-D252 PolarHBondContact O-N 2.86Å; N250-D252 VanDerWaalsContact O-N 3.12Å; N250-D252 WeakPolarHBondContact OD1-CB 3.45Å; N250-D252 PolarHBondContact OD1-N 3.08Å; D252-I254 VanDerWaalsContact C-N 3.26Å |
| 253 | W | 84.2 | Confident | 82.5 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 25% | 0.246 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -83.2 | -3 | 176.1 | -57.9 | -12.9 | 0 | 0 | 0 | 112.7 | Q104 H106 C109 A249 N250 P251 H255 | Q104-W253 HydrophobicContact CB-CZ3 4.04Å; H106-W253 HydrophobicContact CB-CD2 4.48Å; H106-W253 HydrophobicContact CB-CG 4.4Å; C109-W253 HydrophobicContact CB-CB 4.15Å; A249-W253 HydrophobicContact CB-CZ3 4Å; N250-W253 HydrophobicContact CB-CD2 3.58Å; N250-W253 HydrophobicContact CB-CE3 3.92Å; N250-W253 HydrophobicContact CB-CG 3.94Å; N250-W253 HydrophobicContact CB-CH2 4.37Å; N250-W253 HydrophobicContact CB-CZ2 4.05Å; N250-W253 HydrophobicContact CB-CZ3 4.3Å; N250-W253 PolarHBondContact ND2-NE1 3.49Å; N250-W253 WeakPolarHBondContact O-CB 3.17Å; N250-W253 PolarHBondContact O-N 2.96Å; P251-W253 PolarHBondContact O-N 3.5Å; W253-H255 PolarHBondContact O-N 2.68Å |
| 254 | I | 80.8 | Confident | 82.5 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | trans | -86.3 | 102.2 | 177 | -56.6 | 176.6 | 0 | 0 | 0 | 108.7 | C109 T111 K245 C248 P251 D252 | C109-I254 HydrophobicContact CB-CG1 4.31Å; T111-I254 HydrophobicContact CG2-CG2 3.62Å; K245-I254 HydrophobicContact CB-CD1 4.36Å; K245-I254 HydrophobicContact CG-CD1 3.98Å; C248-I254 HydrophobicContact CB-CD1 4.09Å; C248-I254 HydrophobicContact CB-CG1 4.04Å; P251-I254 WeakPolarHBondContact O-CB 3.23Å; P251-I254 PolarHBondContact O-N 3.5Å; P251-I254 VanDerWaalsContact O-N 3.15Å; D252-I254 VanDerWaalsContact C-N 3.26Å | ||
| 255 | H | 71.4 | Confident | 82.7 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | trans | -96 | 119 | -179 | -59.4 | -50.1 | 0 | 0 | 0 | 111.7 | W253 D257 T258 | W253-H255 PolarHBondContact O-N 2.68Å; H255-D257 PolarHBondContact O-N 2.91Å; H255-T258 HydrophobicContact CB-CG2 4.01Å; H255-T258 PolarHBondContact O-N 3.46Å; H255-T258 PolarHBondContact O-OG1 3.29Å | ||
| 256 | L | 69.3 | Low | 82.9 | Confident | 87 Ų | 87 | 54 Ų | 54 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -58.1 | -28.7 | 173.6 | -69.8 | 171.4 | 0 | 0 | 0 | 112.6 | T258 T259 F325 | L256-T258 PolarHBondContact O-N 2.86Å; L256-T258 VanDerWaalsContact O-N 3.15Å; L256-T259 WeakPolarHBondContact O-CB 3.44Å; L256-T259 WeakPolarHBondContact O-CG2 3.42Å; L256-T259 PolarHBondContact O-N 3.06Å; L256-T259 PolarHBondContact O-OG1 3.44Å; L256-F325 HydrophobicContact CB-CZ 4.42Å |
| 257 | D | 65.1 | Low | 83 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.5 | -22.4 | 176.2 | -58.6 | 3.6 | 0 | 0 | 0 | 113 | H255 T259 F325 | H255-D257 PolarHBondContact O-N 2.91Å; D257-T259 VanDerWaalsContact C-N 3.28Å; D257-F325 VanDerWaalsContact OD1-CE2 3.28Å; D257-F325 WeakPolarHBondContact OD1-CE2 3.47Å; D257-F325 WeakPolarHBondContact OD1-CZ 3.35Å |
| 258 | T | 69.5 | Low | 83.1 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -87 | 0.2 | 179.4 | 67 | 0 | 0 | 0 | 0 | 113.1 | E110 T111 H255 L256 | E110-T258 HydrophobicContact CG-CG2 4.42Å; T111-T258 PolarHBondContact N-OG1 3.27Å; T111-T258 PolarHBondContact OG1-O 3.42Å; T111-T258 PolarHBondContact OG1-OG1 2.97Å; H255-T258 HydrophobicContact CB-CG2 4.01Å; H255-T258 PolarHBondContact O-N 3.46Å; H255-T258 PolarHBondContact O-OG1 3.29Å; L256-T258 PolarHBondContact O-N 2.86Å; L256-T258 VanDerWaalsContact O-N 3.15Å |
| 259 | T | 79.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69 | 146.8 | 179 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | T111 L256 D257 F261 A262 G263 | T111-T259 PolarHBondContact OG1-N 3.43Å; L256-T259 WeakPolarHBondContact O-CB 3.44Å; L256-T259 WeakPolarHBondContact O-CG2 3.42Å; L256-T259 PolarHBondContact O-N 3.06Å; L256-T259 PolarHBondContact O-OG1 3.44Å; D257-T259 VanDerWaalsContact C-N 3.28Å; T259-F261 VanDerWaalsContact C-N 3.27Å; T259-F261 PolarHBondContact O-N 3.36Å; T259-A262 PolarHBondContact O-N 3.43Å; T259-A262 VanDerWaalsContact O-N 3.16Å; T259-A262 WeakPolarHBondContact OG1-CB 3.46Å; T259-A262 PolarHBondContact OG1-N 2.91Å; T259-G263 PolarHBondContact O-N 2.91Å; T259-G263 VanDerWaalsContact O-N 3.11Å |
| 260 | P | 79.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -48.9 | -43.9 | 176.7 | -32.8 | 38.6 | 0 | 0 | 0 | 114.4 | L73 W77 L264 | L73-P260 HydrophobicContact CD1-CB 3.44Å; L73-P260 VanDerWaalsContact CD1-CB 3.44Å; L73-P260 HydrophobicContact CD1-CG 4.47Å; W77-P260 HydrophobicContact CZ2-CB 4.18Å; P260-L264 PolarHBondContact O-N 3.43Å; P260-L264 VanDerWaalsContact O-N 3.14Å |
| 261 | F | 82.9 | Confident | 84.1 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.8 | -36.9 | -179.3 | -75.9 | -76.1 | 0 | 0 | 0 | 113.3 | W77 Y227 T259 G263 L264 C265 Y326 | W77-F261 HydrophobicContact CZ2-CZ 4.47Å; Y227-F261 HydrophobicContact CD1-CZ 4.33Å; Y227-F261 AromaticContact CD2-CE2 3.79Å; Y227-F261 HydrophobicContact CD2-CE2 3.79Å; Y227-F261 AromaticContact CD2-CZ 3.56Å; Y227-F261 HydrophobicContact CD2-CZ 3.56Å; Y227-F261 AromaticContact CE2-CE2 3.79Å; Y227-F261 HydrophobicContact CE2-CE2 3.79Å; Y227-F261 AromaticContact CE2-CZ 3.92Å; Y227-F261 HydrophobicContact CE2-CZ 3.92Å; Y227-F261 HydrophobicContact CG-CE2 4.47Å; Y227-F261 AromaticContact CG-CZ 3.8Å; Y227-F261 HydrophobicContact CG-CZ 3.8Å; T259-F261 VanDerWaalsContact C-N 3.27Å; T259-F261 PolarHBondContact O-N 3.36Å; F261-G263 VanDerWaalsContact C-N 3.3Å; F261-G263 PolarHBondContact O-N 3.08Å; F261-L264 HydrophobicContact CD1-CD2 4.49Å; F261-L264 PolarHBondContact O-N 2.83Å; F261-C265 PolarHBondContact O-N 2.87Å; F261-C265 PolarHBondContact O-SG 2.85Å; F261-Y326 HydrophobicContact CB-CE1 3.92Å |
| 262 | A | 84.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T259 C265 R266 F325 Y326 | T259-A262 PolarHBondContact O-N 3.43Å; T259-A262 VanDerWaalsContact O-N 3.16Å; T259-A262 WeakPolarHBondContact OG1-CB 3.46Å; T259-A262 PolarHBondContact OG1-N 2.91Å; A262-C265 PolarHBondContact O-N 2.99Å; A262-R266 WeakPolarHBondContact O-CB 3.46Å; A262-R266 PolarHBondContact O-N 3.44Å; A262-F325 HydrophobicContact CB-CE1 3.95Å; A262-F325 HydrophobicContact CB-CZ 4.48Å; A262-Y326 HydrophobicContact CB-CE1 4.17Å |
| 263 | G | 86.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T259 F261 R266 N267 | T259-G263 PolarHBondContact O-N 2.91Å; T259-G263 VanDerWaalsContact O-N 3.11Å; F261-G263 VanDerWaalsContact C-N 3.3Å; F261-G263 PolarHBondContact O-N 3.08Å; G263-R266 PolarHBondContact O-N 3.42Å; G263-N267 PolarHBondContact O-N 3.02Å; G263-N267 PolarHBondContact O-ND2 3.26Å; G263-N267 VanDerWaalsContact O-ND2 3.15Å |
| 264 | L | 90.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 176.7 | -178.1 | 64.2 | 0 | 0 | 0 | 112.2 | L73 L220 A223 P260 F261 R266 N267 L268 | L73-L264 HydrophobicContact CD2-CB 4.08Å; L73-L264 HydrophobicContact CD2-CD1 4.26Å; L220-L264 HydrophobicContact CD1-CD2 3.98Å; A223-L264 HydrophobicContact CB-CD1 4.31Å; A223-L264 HydrophobicContact CB-CD2 3.6Å; P260-L264 PolarHBondContact O-N 3.43Å; P260-L264 VanDerWaalsContact O-N 3.14Å; F261-L264 HydrophobicContact CD1-CD2 4.49Å; F261-L264 PolarHBondContact O-N 2.83Å; L264-R266 VanDerWaalsContact C-N 3.31Å; L264-R266 PolarHBondContact O-N 3.17Å; L264-N267 PolarHBondContact O-N 3.45Å; L264-L268 HydrophobicContact CD1-CD1 4.08Å; L264-L268 HydrophobicContact CD1-CG 4.18Å; L264-L268 HydrophobicContact CG-CD1 3.89Å; L264-L268 HydrophobicContact CG-CG 4.4Å; L264-L268 VanDerWaalsContact O-CG 3.25Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 3.24Å |
| 265 | C | 91.6 | Very high | 86.6 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 18% | 0.176 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 178.6 | -71.8 | 0 | 0 | 0 | 0 | 112 | F261 A262 G269 F330 | F261-C265 PolarHBondContact O-N 2.87Å; F261-C265 PolarHBondContact O-SG 2.85Å; A262-C265 PolarHBondContact O-N 2.99Å; C265-G269 PolarHBondContact O-N 3.15Å; C265-F330 WeakPolarHBondContact O-CD2 3.36Å |
| 266 | R | 91.4 | Very high | 87.7 | Confident | 54 Ų | 54 | 25.5 Ų | 25.5 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.7 | -176 | -178.8 | 61.4 | 134.7 | 0.5 | 111.3 | D69 A262 G263 L264 G269 A270 S333 | D69-R266 IonicContact OD2-NH2 3.55Å; A262-R266 WeakPolarHBondContact O-CB 3.46Å; A262-R266 PolarHBondContact O-N 3.44Å; G263-R266 PolarHBondContact O-N 3.42Å; L264-R266 VanDerWaalsContact C-N 3.31Å; L264-R266 PolarHBondContact O-N 3.17Å; R266-G269 PolarHBondContact O-N 2.81Å; R266-A270 PolarHBondContact O-N 3.34Å; R266-S333 VanDerWaalsContact CG-OG 3.24Å; R266-S333 WeakPolarHBondContact CG-OG 3.4Å; R266-S333 WeakPolarHBondContact O-CB 3.38Å; R266-S333 PolarHBondContact O-OG 3.25Å |
| 267 | N | 93.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | -178.9 | -70.3 | -25.4 | 0 | 0 | 0 | 112.7 | V66 D69 G263 L264 G269 A270 L271 | V66-N267 HydrophobicContact CB-CB 4.43Å; V66-N267 HydrophobicContact CG1-CB 4.06Å; V66-N267 HydrophobicContact CG2-CB 4.18Å; V66-N267 WeakPolarHBondContact CG2-O 3.35Å; D69-N267 WeakPolarHBondContact CB-ND2 3.29Å; D69-N267 PolarHBondContact OD2-ND2 2.95Å; D69-N267 PolarHBondContact OD2-OD1 2.92Å; G263-N267 PolarHBondContact O-N 3.02Å; G263-N267 PolarHBondContact O-ND2 3.26Å; G263-N267 VanDerWaalsContact O-ND2 3.15Å; L264-N267 PolarHBondContact O-N 3.45Å; N267-G269 VanDerWaalsContact C-N 3.34Å; N267-A270 PolarHBondContact O-N 2.99Å; N267-L271 PolarHBondContact O-N 3.46Å |
| 268 | L | 94.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 18 Ų | 18 | 5% | 0.047 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.5 | -65.2 | 171.6 | 0 | 0 | 0 | 111 | N216 L219 L220 L264 A270 L271 F272 F330 | N216-L268 HydrophobicContact CB-CD2 4.21Å; N216-L268 WeakPolarHBondContact O-CD2 3.31Å; N216-L268 WeakPolarHBondContact OD1-CA 3.37Å; N216-L268 WeakPolarHBondContact OD1-CB 3.41Å; N216-L268 VanDerWaalsContact OD1-CD2 3.31Å; N216-L268 WeakPolarHBondContact OD1-CD2 3.42Å; N216-L268 PolarHBondContact OD1-O 3.45Å; L219-L268 HydrophobicContact CB-CD2 3.91Å; L219-L268 HydrophobicContact CD1-CD2 4.47Å; L220-L268 HydrophobicContact CB-CD1 3.76Å; L220-L268 HydrophobicContact CB-CD2 4.44Å; L220-L268 HydrophobicContact CD1-CD1 3.76Å; L220-L268 HydrophobicContact CD2-CD1 4.4Å; L220-L268 HydrophobicContact CG-CD1 4.17Å; L264-L268 HydrophobicContact CD1-CD1 4.08Å; L264-L268 HydrophobicContact CD1-CG 4.18Å; L264-L268 HydrophobicContact CG-CD1 3.89Å; L264-L268 HydrophobicContact CG-CG 4.4Å; L264-L268 VanDerWaalsContact O-CG 3.25Å; L264-L268 WeakPolarHBondContact O-CG 3.49Å; L264-L268 PolarHBondContact O-N 3.24Å; L268-A270 PolarHBondContact O-N 3.37Å; L268-L271 PolarHBondContact O-N 3.25Å; L268-F272 WeakPolarHBondContact O-CB 3.36Å; L268-F272 PolarHBondContact O-N 3.5Å; L268-F330 HydrophobicContact CB-CD2 4.18Å; L268-F330 HydrophobicContact CB-CE2 3.92Å |
| 269 | G | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.4 | -51.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C265 R266 N267 L271 F272 G273 F330 A334 | C265-G269 PolarHBondContact O-N 3.15Å; R266-G269 PolarHBondContact O-N 2.81Å; N267-G269 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 2.86Å; G269-F272 PolarHBondContact O-N 3.26Å; G269-G273 PolarHBondContact O-N 2.91Å; G269-F330 VanDerWaalsContact CA-CE2 3.44Å; G269-F330 VanDerWaalsContact N-CE2 3.32Å; G269-A334 WeakPolarHBondContact O-CA 3.44Å; G269-A334 VanDerWaalsContact O-CB 3.29Å; G269-A334 WeakPolarHBondContact O-CB 3.43Å |
| 270 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 V66 R266 N267 L268 G273 L274 S333 P337 | F43-A270 HydrophobicContact CD1-CB 4.11Å; F43-A270 HydrophobicContact CE1-CB 3.59Å; F43-A270 HydrophobicContact CZ-CB 4.28Å; V66-A270 HydrophobicContact CG2-CB 4.32Å; R266-A270 PolarHBondContact O-N 3.34Å; N267-A270 PolarHBondContact O-N 2.99Å; L268-A270 PolarHBondContact O-N 3.37Å; A270-G273 PolarHBondContact O-N 2.98Å; A270-L274 WeakPolarHBondContact O-CB 3.29Å; A270-L274 PolarHBondContact O-N 3.17Å; A270-S333 PolarHBondContact N-OG 3.28Å; A270-P337 HydrophobicContact CB-CG 4.15Å; A270-P337 WeakPolarHBondContact O-CG 3.37Å |
| 271 | L | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | 179.6 | -172.7 | 62.9 | 0 | 0 | 0 | 112 | W63 V66 Y212 V215 L219 N267 L268 G269 G275 | W63-L271 HydrophobicContact CD2-CD1 3.83Å; W63-L271 HydrophobicContact CE3-CD1 4.06Å; W63-L271 HydrophobicContact CG-CD1 4.4Å; W63-L271 HydrophobicContact CH2-CD1 4.11Å; W63-L271 HydrophobicContact CH2-CD2 4.32Å; W63-L271 HydrophobicContact CZ2-CD1 3.89Å; W63-L271 HydrophobicContact CZ3-CD1 4.21Å; W63-L271 HydrophobicContact CZ3-CD2 4.25Å; V66-L271 HydrophobicContact CG1-CB 4.16Å; V66-L271 HydrophobicContact CG1-CD2 4.12Å; V66-L271 HydrophobicContact CG2-CB 4.27Å; Y212-L271 HydrophobicContact CD1-CD1 3.75Å; Y212-L271 HydrophobicContact CD1-CG 4.01Å; Y212-L271 WeakPolarHBondContact CD1-O 3.45Å; Y212-L271 HydrophobicContact CE1-CD1 3.76Å; V215-L271 HydrophobicContact CB-CD2 4.43Å; V215-L271 HydrophobicContact CG1-CD2 3.81Å; L219-L271 HydrophobicContact CD1-CD2 4.21Å; N267-L271 PolarHBondContact O-N 3.46Å; L268-L271 PolarHBondContact O-N 3.25Å; G269-L271 PolarHBondContact O-N 2.86Å; L271-G275 PolarHBondContact O-N 3.41Å |
| 272 | F | 95.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 25.9 Ų | 25.9 | 25% | 0.246 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.2 | 174.1 | -101.1 | 0 | 0 | 0 | 111.7 | L213 N216 L268 G269 L274 G275 L276 F330 A334 | L213-F272 HydrophobicContact CD2-CD2 3.68Å; L213-F272 HydrophobicContact CD2-CE2 3.58Å; N216-F272 PolarHBondContact ND2-N 2.88Å; L268-F272 WeakPolarHBondContact O-CB 3.36Å; L268-F272 PolarHBondContact O-N 3.5Å; G269-F272 PolarHBondContact O-N 3.26Å; F272-L274 VanDerWaalsContact C-N 3.34Å; F272-L274 PolarHBondContact O-N 3.15Å; F272-G275 PolarHBondContact O-N 3.32Å; F272-G275 VanDerWaalsContact O-N 3.14Å; F272-L276 HydrophobicContact CD1-CD1 3.99Å; F272-L276 HydrophobicContact CE1-CD1 3.31Å; F272-L276 HydrophobicContact CE1-CG 4.1Å; F272-L276 HydrophobicContact CE2-CD1 4.33Å; F272-L276 HydrophobicContact CE2-CG 4.36Å; F272-L276 HydrophobicContact CZ-CD1 3.52Å; F272-L276 HydrophobicContact CZ-CD2 4.35Å; F272-L276 HydrophobicContact CZ-CG 4.02Å; F272-L276 PolarHBondContact O-N 3.27Å; F272-F330 HydrophobicContact CB-CE2 4.5Å; F272-F330 HydrophobicContact CB-CZ 3.98Å; F272-F330 HydrophobicContact CD1-CE1 4.03Å; F272-F330 AromaticContact CD1-CZ 3.81Å; F272-F330 HydrophobicContact CD1-CZ 3.81Å; F272-F330 HydrophobicContact CE1-CE1 4.4Å; F272-F330 HydrophobicContact CE1-CZ 4.48Å; F272-F330 AromaticContact CG-CZ 3.92Å; F272-F330 HydrophobicContact CG-CZ 3.92Å; F272-A334 HydrophobicContact CD1-CB 4.17Å |
| 273 | G | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G269 A270 L276 A277 A334 | G269-G273 PolarHBondContact O-N 2.91Å; A270-G273 PolarHBondContact O-N 2.98Å; G273-L276 PolarHBondContact O-N 3.35Å; G273-A277 WeakPolarHBondContact O-CB 3.47Å; G273-A277 PolarHBondContact O-N 2.74Å; G273-A334 WeakPolarHBondContact CA-O 3.25Å |
| 274 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 174.7 | -178.6 | 69.5 | 0 | 0 | 0 | 111.2 | F47 T59 I62 Y212 A270 F272 L276 A277 V278 P337 V341 | F47-L274 HydrophobicContact CE2-CD1 4.36Å; F47-L274 HydrophobicContact CZ-CD1 4.17Å; T59-L274 HydrophobicContact CG2-CD2 4.12Å; I62-L274 HydrophobicContact CB-CD2 3.69Å; I62-L274 HydrophobicContact CG1-CD2 4.12Å; I62-L274 HydrophobicContact CG2-CB 4.31Å; I62-L274 HydrophobicContact CG2-CD2 3.75Å; Y212-L274 HydrophobicContact CE1-CD2 4.13Å; Y212-L274 HydrophobicContact CE1-CG 4.39Å; A270-L274 WeakPolarHBondContact O-CB 3.29Å; A270-L274 PolarHBondContact O-N 3.17Å; F272-L274 VanDerWaalsContact C-N 3.34Å; F272-L274 PolarHBondContact O-N 3.15Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.26Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-A277 VanDerWaalsContact O-N 3.1Å; L274-V278 HydrophobicContact CD1-CG1 3.82Å; L274-V278 HydrophobicContact CG-CG1 4.21Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 2.75Å; L274-P337 HydrophobicContact CB-CB 3.97Å; L274-P337 HydrophobicContact CD1-CB 4.49Å; L274-V341 HydrophobicContact CD1-CG2 4.05Å |
| 275 | G | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y212 L271 F272 N279 | Y212-G275 VanDerWaalsContact CG-CA 3.49Å; L271-G275 PolarHBondContact O-N 3.41Å; F272-G275 PolarHBondContact O-N 3.32Å; F272-G275 VanDerWaalsContact O-N 3.14Å; G275-N279 WeakPolarHBondContact O-CB 3.49Å; G275-N279 PolarHBondContact O-N 3.15Å; G275-N279 PolarHBondContact O-ND2 2.91Å |
| 276 | L | 94.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 172.9 | -73.1 | 179.6 | 0 | 0 | 0 | 111.7 | L209 F272 G273 L274 N279 S280 F338 | L209-L276 HydrophobicContact CD1-CD2 3.87Å; L209-L276 HydrophobicContact CD1-CG 4.37Å; L209-L276 HydrophobicContact CD2-CD2 4.09Å; F272-L276 HydrophobicContact CD1-CD1 3.99Å; F272-L276 HydrophobicContact CE1-CD1 3.31Å; F272-L276 HydrophobicContact CE1-CG 4.1Å; F272-L276 HydrophobicContact CE2-CD1 4.33Å; F272-L276 HydrophobicContact CE2-CG 4.36Å; F272-L276 HydrophobicContact CZ-CD1 3.52Å; F272-L276 HydrophobicContact CZ-CD2 4.35Å; F272-L276 HydrophobicContact CZ-CG 4.02Å; F272-L276 PolarHBondContact O-N 3.27Å; G273-L276 PolarHBondContact O-N 3.35Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3.26Å; L276-N279 PolarHBondContact O-N 3.16Å; L276-S280 WeakPolarHBondContact O-CB 3.39Å; L276-S280 PolarHBondContact O-N 3.35Å; L276-F338 HydrophobicContact CB-CD2 4.01Å; L276-F338 HydrophobicContact CB-CE2 4.25Å |
| 277 | A | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -50.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G273 L274 N279 S280 F283 F338 V341 A342 | G273-A277 WeakPolarHBondContact O-CB 3.47Å; G273-A277 PolarHBondContact O-N 2.74Å; L274-A277 PolarHBondContact O-N 3.48Å; L274-A277 VanDerWaalsContact O-N 3.1Å; A277-N279 PolarHBondContact O-N 3.05Å; A277-S280 WeakPolarHBondContact O-CB 3.39Å; A277-S280 PolarHBondContact O-N 3.13Å; A277-S280 VanDerWaalsContact O-N 3.12Å; A277-S280 PolarHBondContact O-OG 3.5Å; A277-F283 WeakPolarHBondContact O-CB 3.3Å; A277-F338 HydrophobicContact CB-CD2 4.03Å; A277-V341 HydrophobicContact CB-CB 3.57Å; A277-V341 HydrophobicContact CB-CG1 3.6Å; A277-V341 HydrophobicContact CB-CG2 4.46Å; A277-A342 HydrophobicContact CB-CB 4.07Å |
| 278 | V | 91.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.4 | -20.7 | -177 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | Y212 L274 F283 V341 | Y212-V278 HydrophobicContact CE2-CG2 4.14Å; L274-V278 HydrophobicContact CD1-CG1 3.82Å; L274-V278 HydrophobicContact CG-CG1 4.21Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 2.75Å; V278-F283 VanDerWaalsContact O-CD1 3.3Å; V278-F283 WeakPolarHBondContact O-CD1 3.21Å; V278-V341 HydrophobicContact CG1-CG1 3.99Å |
| 279 | N | 90.6 | Very high | 88.1 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.5 | 175.7 | -69.2 | -88.8 | 0 | 0 | 0 | 113 | L209 G275 L276 A277 | L209-N279 HydrophobicContact CB-CB 4.29Å; L209-N279 PolarHBondContact N-ND2 3.12Å; L209-N279 PolarHBondContact N-OD1 3.11Å; G275-N279 WeakPolarHBondContact O-CB 3.49Å; G275-N279 PolarHBondContact O-N 3.15Å; G275-N279 PolarHBondContact O-ND2 2.91Å; L276-N279 PolarHBondContact O-N 3.16Å; A277-N279 PolarHBondContact O-N 3.05Å |
| 280 | S | 91.1 | Very high | 86.5 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -79.7 | 150.2 | 179.5 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | L276 A277 M282 F283 I284 A342 | L276-S280 WeakPolarHBondContact O-CB 3.39Å; L276-S280 PolarHBondContact O-N 3.35Å; A277-S280 WeakPolarHBondContact O-CB 3.39Å; A277-S280 PolarHBondContact O-N 3.13Å; A277-S280 VanDerWaalsContact O-N 3.12Å; A277-S280 PolarHBondContact O-OG 3.5Å; S280-M282 PolarHBondContact O-N 3.08Å; S280-F283 PolarHBondContact O-N 3.43Å; S280-F283 PolarHBondContact OG-N 3.46Å; S280-I284 PolarHBondContact O-N 2.92Å; S280-A342 WeakPolarHBondContact OG-CB 3.25Å |
| 281 | E | 86.7 | Confident | 84.9 | Confident | 149 Ų | 149 | 50.1 Ų | 50.1 | 70% | 0.696 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -33.2 | 172.1 | -66.4 | -174 | 179.2 | 0 | 0 | 112 | F283 I284 Q285 | E281-F283 VanDerWaalsContact C-N 3.33Å; E281-F283 PolarHBondContact O-N 3.25Å; E281-I284 PolarHBondContact O-N 2.99Å; E281-Q285 WeakPolarHBondContact O-CB 3.4Å; E281-Q285 WeakPolarHBondContact O-CG 3.05Å; E281-Q285 PolarHBondContact O-N 3.43Å |
| 282 | M | 86.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 177.6 | -63.6 | 176.2 | 77 | 0 | 0 | 111.9 | S280 S286 A342 V343 Y346 | S280-M282 PolarHBondContact O-N 3.08Å; M282-S286 WeakPolarHBondContact O-CB 3.5Å; M282-S286 PolarHBondContact O-N 3.27Å; M282-S286 VanDerWaalsContact O-N 3.14Å; M282-S286 PolarHBondContact O-OG 3.46Å; M282-A342 HydrophobicContact CB-CB 4.2Å; M282-V343 HydrophobicContact CE-CB 4.45Å; M282-V343 HydrophobicContact CE-CG2 4.32Å; M282-Y346 HydrophobicContact CB-CD2 4.24Å; M282-Y346 HydrophobicContact CB-CG 4.25Å; M282-Y346 HydrophobicContact CE-CD1 3.47Å; M282-Y346 VanDerWaalsContact CE-CD1 3.47Å; M282-Y346 HydrophobicContact CE-CE1 4.22Å; M282-Y346 HydrophobicContact CE-CG 3.7Å; M282-Y346 HydrophobicContact CG-CD2 4.4Å; M282-Y346 HydrophobicContact CG-CG 4.32Å |
| 283 | F | 85.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.2 | 172.7 | -112.5 | 0 | 0 | 0 | 111.9 | F51 A277 V278 S280 E281 S286 C287 K288 V341 | F51-F283 HydrophobicContact CE1-CE2 4.1Å; F51-F283 HydrophobicContact CZ-CD2 4.44Å; F51-F283 AromaticContact CZ-CE2 3.69Å; F51-F283 HydrophobicContact CZ-CE2 3.69Å; F51-F283 HydrophobicContact CZ-CZ 4.26Å; A277-F283 WeakPolarHBondContact O-CB 3.3Å; V278-F283 VanDerWaalsContact O-CD1 3.3Å; V278-F283 WeakPolarHBondContact O-CD1 3.21Å; S280-F283 PolarHBondContact O-N 3.43Å; S280-F283 PolarHBondContact OG-N 3.46Å; E281-F283 VanDerWaalsContact C-N 3.33Å; E281-F283 PolarHBondContact O-N 3.25Å; F283-S286 PolarHBondContact O-N 3.1Å; F283-C287 HydrophobicContact CD2-CB 3.58Å; F283-C287 HydrophobicContact CE2-CB 3.4Å; F283-C287 VanDerWaalsContact CE2-CB 3.4Å; F283-C287 HydrophobicContact CZ-CB 4.28Å; F283-C287 WeakPolarHBondContact O-CB 3.37Å; F283-C287 PolarHBondContact O-N 3.39Å; F283-K288 HydrophobicContact CE1-CD 4.47Å; F283-K288 HydrophobicContact CE1-CG 4.33Å; F283-K288 PolarHBondContact O-N 3.36Å; F283-V341 HydrophobicContact CD2-CG1 3.64Å; F283-V341 WeakPolarHBondContact CD2-O 3.29Å; F283-V341 HydrophobicContact CE2-CG1 4.03Å; F283-V341 HydrophobicContact CG-CG1 4.15Å |
| 284 | I | 84.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 179.5 | -62.6 | 171.5 | 0 | 0 | 0 | 110.5 | S280 E281 S286 K288 | S280-I284 PolarHBondContact O-N 2.92Å; E281-I284 PolarHBondContact O-N 2.99Å; I284-S286 PolarHBondContact O-N 3.07Å; I284-K288 HydrophobicContact CG1-CD 4.38Å; I284-K288 WeakPolarHBondContact O-CB 3.21Å; I284-K288 PolarHBondContact O-N 3.23Å |
| 285 | Q | 80.6 | Confident | 80.5 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -34.1 | -178.7 | -70.8 | -180 | 7.1 | 0 | 0 | 113.1 | E281 | E281-Q285 WeakPolarHBondContact O-CB 3.4Å; E281-Q285 WeakPolarHBondContact O-CG 3.05Å; E281-Q285 PolarHBondContact O-N 3.43Å |
| 286 | S | 79.9 | Confident | 80 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -91.8 | -56.1 | -173.1 | -44.8 | 0 | 0 | 0 | 0 | 112 | M282 F283 I284 Y346 | M282-S286 WeakPolarHBondContact O-CB 3.5Å; M282-S286 PolarHBondContact O-N 3.27Å; M282-S286 VanDerWaalsContact O-N 3.14Å; M282-S286 PolarHBondContact O-OG 3.46Å; F283-S286 PolarHBondContact O-N 3.1Å; I284-S286 PolarHBondContact O-N 3.07Å; S286-Y346 WeakPolarHBondContact OG-CA 3.44Å; S286-Y346 WeakPolarHBondContact OG-CB 3.46Å; S286-Y346 PolarHBondContact OG-N 3.4Å |
| 287 | C | 77.2 | Confident | 79.6 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -95.9 | -22.1 | -166.7 | -64.1 | 0 | 0 | 0 | 0 | 113.6 | F283 P345 | F283-C287 HydrophobicContact CD2-CB 3.58Å; F283-C287 HydrophobicContact CE2-CB 3.4Å; F283-C287 VanDerWaalsContact CE2-CB 3.4Å; F283-C287 HydrophobicContact CZ-CB 4.28Å; F283-C287 WeakPolarHBondContact O-CB 3.37Å; F283-C287 PolarHBondContact O-N 3.39Å; C287-P345 WeakPolarHBondContact SG-CB 3.34Å |
| 288 | K | 72.3 | Confident | 79.3 | Confident | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -93.5 | -4.5 | 173.1 | -68.6 | -173.3 | 176.1 | 175.5 | 0 | 113.7 | F283 I284 | F283-K288 HydrophobicContact CE1-CD 4.47Å; F283-K288 HydrophobicContact CE1-CG 4.33Å; F283-K288 PolarHBondContact O-N 3.36Å; I284-K288 HydrophobicContact CG1-CD 4.38Å; I284-K288 WeakPolarHBondContact O-CB 3.21Å; I284-K288 PolarHBondContact O-N 3.23Å |
| 289 | G | 67 | Low | 79.1 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -81.4 | -175 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N291 G292 | G289-N291 PolarHBondContact O-N 2.9Å; G289-N291 VanDerWaalsContact O-N 3.13Å; G289-G292 PolarHBondContact O-N 3.26Å |
| 290 | K | 61.4 | Low | 79 | Confident | 202 Ų | 202 | 70.8 Ų | 70.8 | 88% | 0.878 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -56.2 | -28 | 176.6 | -71.2 | -177.9 | 177.7 | 179 | 0 | 113.2 | G292 C293 | K290-G292 VanDerWaalsContact C-N 3.34Å; K290-G292 PolarHBondContact O-N 3.47Å; K290-C293 PolarHBondContact O-N 2.99Å |
| 291 | N | 62 | Low | 78.9 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -71.2 | -24.6 | -178 | -67 | -2.8 | 0 | 0 | 0 | 113.5 | G289 C293 N294 F297 C349 | G289-N291 PolarHBondContact O-N 2.9Å; G289-N291 VanDerWaalsContact O-N 3.13Å; N291-C293 PolarHBondContact O-N 2.95Å; N291-C293 VanDerWaalsContact O-N 3.14Å; N291-N294 WeakPolarHBondContact O-CB 3.35Å; N291-N294 PolarHBondContact O-N 3.42Å; N291-F297 HydrophobicContact CB-CD1 4.46Å; N291-F297 HydrophobicContact CB-CD2 4.47Å; N291-F297 HydrophobicContact CB-CG 4.33Å; N291-F297 WeakPolarHBondContact O-CD1 3.32Å; N291-C349 PolarHBondContact ND2-SG 3.45Å |
| 292 | G | 62.2 | Low | 79.1 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -63.5 | -18.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G289 K290 K298 | G289-G292 PolarHBondContact O-N 3.26Å; K290-G292 VanDerWaalsContact C-N 3.34Å; K290-G292 PolarHBondContact O-N 3.47Å; G292-K298 WeakPolarHBondContact O-CE 3.39Å |
| 293 | C | 63.7 | Low | 79.2 | Confident | 112 Ų | 112 | 65 Ų | 65 | 76% | 0.757 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -93.6 | -11.2 | 174.4 | -69.2 | 0 | 0 | 0 | 0 | 113.5 | K290 N291 T295 | K290-C293 PolarHBondContact O-N 2.99Å; N291-C293 PolarHBondContact O-N 2.95Å; N291-C293 VanDerWaalsContact O-N 3.14Å; C293-T295 PolarHBondContact O-N 2.92Å |
| 294 | N | 81.3 | Confident | 79.4 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | trans | -77.9 | 120.3 | -177.3 | -176.7 | -8.8 | 0 | 0 | 0 | 110.8 | N291 V296 F297 K298 | N291-N294 WeakPolarHBondContact O-CB 3.35Å; N291-N294 PolarHBondContact O-N 3.42Å; N294-V296 VanDerWaalsContact C-N 3.28Å; N294-V296 PolarHBondContact O-N 3.29Å; N294-V296 WeakPolarHBondContact OD1-CB 3.22Å; N294-V296 PolarHBondContact OD1-N 3.41Å; N294-F297 HydrophobicContact CB-CB 3.97Å; N294-F297 WeakPolarHBondContact O-CB 3.34Å; N294-F297 PolarHBondContact O-N 3.47Å; N294-K298 WeakPolarHBondContact O-CG 3.01Å; N294-K298 PolarHBondContact O-N 2.87Å | ||
| 295 | T | 82.6 | Confident | 79.7 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.8 | -36.2 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | C293 K298 L299 | C293-T295 PolarHBondContact O-N 2.92Å; T295-K298 PolarHBondContact O-N 3.07Å; T295-L299 WeakPolarHBondContact O-CB 3.45Å; T295-L299 PolarHBondContact O-N 3.21Å |
| 296 | V | 85.1 | Confident | 80.2 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | N294 K298 L299 L300 | N294-V296 VanDerWaalsContact C-N 3.28Å; N294-V296 PolarHBondContact O-N 3.29Å; N294-V296 WeakPolarHBondContact OD1-CB 3.22Å; N294-V296 PolarHBondContact OD1-N 3.41Å; V296-K298 PolarHBondContact O-N 3.22Å; V296-L299 PolarHBondContact O-N 3.22Å; V296-L300 HydrophobicContact CG1-CD1 3.98Å; V296-L300 HydrophobicContact CG1-CG 4.38Å; V296-L300 WeakPolarHBondContact O-CB 3.48Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.49Å; V296-L300 PolarHBondContact O-N 2.74Å |
| 297 | F | 86.2 | Confident | 80.5 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 175.4 | 174.4 | -103 | 0 | 0 | 0 | 111.6 | N291 N294 L299 L300 C301 P345 V348 C349 I352 | N291-F297 HydrophobicContact CB-CD1 4.46Å; N291-F297 HydrophobicContact CB-CD2 4.47Å; N291-F297 HydrophobicContact CB-CG 4.33Å; N291-F297 WeakPolarHBondContact O-CD1 3.32Å; N294-F297 HydrophobicContact CB-CB 3.97Å; N294-F297 WeakPolarHBondContact O-CB 3.34Å; N294-F297 PolarHBondContact O-N 3.47Å; F297-L299 PolarHBondContact O-N 3.2Å; F297-L300 PolarHBondContact O-N 3.07Å; F297-C301 VanDerWaalsContact CZ-SG 3.57Å; F297-C301 WeakPolarHBondContact O-CB 3.47Å; F297-C301 PolarHBondContact O-N 3.4Å; F297-C301 PolarHBondContact O-SG 2.86Å; F297-P345 WeakPolarHBondContact CE2-O 3.18Å; F297-P345 HydrophobicContact CZ-CB 3.95Å; F297-V348 HydrophobicContact CD2-CB 4.44Å; F297-V348 HydrophobicContact CD2-CG1 3.7Å; F297-V348 HydrophobicContact CE2-CB 4.05Å; F297-V348 HydrophobicContact CE2-CG1 3.82Å; F297-C349 HydrophobicContact CE2-CB 3.98Å; F297-I352 HydrophobicContact CB-CD1 4.18Å; F297-I352 HydrophobicContact CD2-CD1 3.78Å; F297-I352 HydrophobicContact CG-CD1 4.49Å |
| 298 | K | 86.6 | Confident | 81.1 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 177.6 | -70.1 | -179.9 | 177 | -164 | 0 | 112 | H52 G292 N294 T295 V296 C301 M302 | H52-K298 WeakPolarHBondContact O-CD 3.37Å; G292-K298 WeakPolarHBondContact O-CE 3.39Å; N294-K298 WeakPolarHBondContact O-CG 3.01Å; N294-K298 PolarHBondContact O-N 2.87Å; T295-K298 PolarHBondContact O-N 3.07Å; V296-K298 PolarHBondContact O-N 3.22Å; K298-C301 PolarHBondContact O-N 3.25Å; K298-M302 VanDerWaalsContact O-CG 3.27Å; K298-M302 WeakPolarHBondContact O-CG 3.41Å; K298-M302 PolarHBondContact O-N 3.36Å |
| 299 | L | 87.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 58% | 0.576 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | -179.4 | -168.6 | 70.8 | 0 | 0 | 0 | 111.3 | T295 V296 F297 C301 M302 T303 | T295-L299 WeakPolarHBondContact O-CB 3.45Å; T295-L299 PolarHBondContact O-N 3.21Å; V296-L299 PolarHBondContact O-N 3.22Å; F297-L299 PolarHBondContact O-N 3.2Å; L299-C301 VanDerWaalsContact C-N 3.33Å; L299-C301 PolarHBondContact O-N 3.12Å; L299-M302 PolarHBondContact O-N 3.25Å; L299-T303 PolarHBondContact O-N 3.47Å; L299-T303 PolarHBondContact O-OG1 3.2Å |
| 300 | L | 89 | Confident | 82.7 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.8 | -73.1 | 173.2 | 0 | 0 | 0 | 111.6 | V296 F297 T303 A304 V348 I352 | V296-L300 HydrophobicContact CG1-CD1 3.98Å; V296-L300 HydrophobicContact CG1-CG 4.38Å; V296-L300 WeakPolarHBondContact O-CB 3.48Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.49Å; V296-L300 PolarHBondContact O-N 2.74Å; F297-L300 PolarHBondContact O-N 3.07Å; L300-T303 PolarHBondContact O-N 3.21Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.43Å; L300-V348 HydrophobicContact CB-CG1 3.92Å; L300-V348 HydrophobicContact CD1-CG1 4.35Å; L300-I352 HydrophobicContact CD1-CD1 4.21Å |
| 301 | C | 88.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.4 | -69 | 0 | 0 | 0 | 0 | 111.9 | F297 K298 L299 N305 | F297-C301 VanDerWaalsContact CZ-SG 3.57Å; F297-C301 WeakPolarHBondContact O-CB 3.47Å; F297-C301 PolarHBondContact O-N 3.4Å; F297-C301 PolarHBondContact O-SG 2.86Å; K298-C301 PolarHBondContact O-N 3.25Å; L299-C301 VanDerWaalsContact C-N 3.33Å; L299-C301 PolarHBondContact O-N 3.12Å; C301-N305 VanDerWaalsContact O-CB 3.22Å; C301-N305 WeakPolarHBondContact O-CB 3.46Å; C301-N305 VanDerWaalsContact O-CG 3.25Å; C301-N305 PolarHBondContact O-N 2.87Å; C301-N305 PolarHBondContact O-ND2 3.36Å |
| 302 | M | 90.3 | Very high | 84.8 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 176.8 | -72.8 | 173.6 | -171.6 | 0 | 0 | 111.2 | L49 H52 L53 K298 L299 N305 L306 | L49-M302 HydrophobicContact CD2-SD 4.46Å; H52-M302 HydrophobicContact CB-CE 3.43Å; H52-M302 VanDerWaalsContact CB-CE 3.43Å; H52-M302 HydrophobicContact CB-CG 3.62Å; H52-M302 HydrophobicContact CB-SD 4.39Å; L53-M302 HydrophobicContact CB-CE 4.47Å; L53-M302 HydrophobicContact CD2-CE 3.74Å; L53-M302 HydrophobicContact CG-CE 3.67Å; K298-M302 VanDerWaalsContact O-CG 3.27Å; K298-M302 WeakPolarHBondContact O-CG 3.41Å; K298-M302 PolarHBondContact O-N 3.36Å; L299-M302 PolarHBondContact O-N 3.25Å; M302-N305 PolarHBondContact O-N 3.44Å; M302-L306 WeakPolarHBondContact O-CG 3.29Å; M302-L306 PolarHBondContact O-N 2.9Å |
| 303 | T | 89.3 | Confident | 85.7 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | -179.8 | -57 | 0 | 0 | 0 | 0 | 111.2 | L299 L300 N305 L306 T307 | L299-T303 PolarHBondContact O-N 3.47Å; L299-T303 PolarHBondContact O-OG1 3.2Å; L300-T303 PolarHBondContact O-N 3.21Å; T303-N305 VanDerWaalsContact C-N 3.3Å; T303-N305 PolarHBondContact O-N 2.89Å; T303-L306 PolarHBondContact O-N 3.31Å; T303-T307 PolarHBondContact O-N 3.41Å; T303-T307 PolarHBondContact O-OG1 3.08Å; T303-T307 VanDerWaalsContact O-OG1 3.07Å |
| 304 | A | 90.2 | Very high | 86.4 | Confident | 39 Ų | 39 | 66 Ų | 66 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L300 F308 I344 | L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-A304 PolarHBondContact O-N 3.43Å; A304-F308 VanDerWaalsContact O-CB 3.22Å; A304-F308 WeakPolarHBondContact O-CB 3.31Å; A304-F308 PolarHBondContact O-N 3.32Å; A304-I344 HydrophobicContact CB-CG2 3.77Å |
| 305 | N | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.7 | -81.8 | -53 | 0 | 0 | 0 | 112.7 | P48 H52 C301 M302 T303 T307 F308 L309 V340 I344 | P48-N305 HydrophobicContact CB-CB 4Å; H52-N305 PolarHBondContact NE2-ND2 3.05Å; C301-N305 VanDerWaalsContact O-CB 3.22Å; C301-N305 WeakPolarHBondContact O-CB 3.46Å; C301-N305 VanDerWaalsContact O-CG 3.25Å; C301-N305 PolarHBondContact O-N 2.87Å; C301-N305 PolarHBondContact O-ND2 3.36Å; M302-N305 PolarHBondContact O-N 3.44Å; T303-N305 VanDerWaalsContact C-N 3.3Å; T303-N305 PolarHBondContact O-N 2.89Å; N305-T307 VanDerWaalsContact C-N 3.34Å; N305-T307 PolarHBondContact O-N 2.97Å; N305-F308 PolarHBondContact O-N 3.25Å; N305-L309 WeakPolarHBondContact O-CB 3.42Å; N305-L309 WeakPolarHBondContact O-CD1 3.19Å; N305-L309 WeakPolarHBondContact O-CG 3.34Å; N305-L309 PolarHBondContact O-N 3.31Å; N305-V340 HydrophobicContact CB-CG2 4.49Å; N305-V340 VanDerWaalsContact OD1-CA 3.25Å; N305-V340 WeakPolarHBondContact OD1-CA 3.39Å; N305-I344 WeakPolarHBondContact OD1-CB 3.47Å; N305-I344 WeakPolarHBondContact OD1-CD1 3.43Å |
| 306 | L | 89.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 179.7 | -70.5 | 174 | 0 | 0 | 0 | 111.3 | L49 M302 T303 L309 Q310 | L49-L306 HydrophobicContact CD2-CD1 3.91Å; L49-L306 HydrophobicContact CG-CD1 4.44Å; M302-L306 WeakPolarHBondContact O-CG 3.29Å; M302-L306 PolarHBondContact O-N 2.9Å; T303-L306 PolarHBondContact O-N 3.31Å; L306-L309 PolarHBondContact O-N 3.49Å; L306-Q310 WeakPolarHBondContact O-CB 3.21Å; L306-Q310 VanDerWaalsContact O-CG 3.3Å; L306-Q310 WeakPolarHBondContact O-CG 3.47Å; L306-Q310 PolarHBondContact O-N 3.21Å |
| 307 | T | 87.7 | Confident | 84.9 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | T303 N305 L309 Q310 L311 | T303-T307 PolarHBondContact O-N 3.41Å; T303-T307 PolarHBondContact O-OG1 3.08Å; T303-T307 VanDerWaalsContact O-OG1 3.07Å; N305-T307 VanDerWaalsContact C-N 3.34Å; N305-T307 PolarHBondContact O-N 2.97Å; T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.37Å; T307-Q310 PolarHBondContact O-N 2.91Å; T307-L311 HydrophobicContact CG2-CD1 4.29Å; T307-L311 WeakPolarHBondContact O-CG 3.45Å; T307-L311 PolarHBondContact O-N 3.49Å; T307-L311 VanDerWaalsContact O-N 3.12Å |
| 308 | F | 89.1 | Confident | 84.1 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 178 | 174.1 | -101.2 | 0 | 0 | 0 | 111.4 | A304 N305 L311 Y312 I344 | A304-F308 VanDerWaalsContact O-CB 3.22Å; A304-F308 WeakPolarHBondContact O-CB 3.31Å; A304-F308 PolarHBondContact O-N 3.32Å; N305-F308 PolarHBondContact O-N 3.25Å; F308-L311 PolarHBondContact O-N 3.44Å; F308-Y312 HydrophobicContact CE1-CD2 4.48Å; F308-Y312 HydrophobicContact CE1-CG 4.5Å; F308-Y312 HydrophobicContact CZ-CD2 4.16Å; F308-Y312 VanDerWaalsContact O-CB 3.26Å; F308-Y312 WeakPolarHBondContact O-CB 3.38Å; F308-Y312 PolarHBondContact O-N 3.32Å; F308-I344 HydrophobicContact CB-CD1 3.82Å; F308-I344 HydrophobicContact CD1-CD1 3.71Å; F308-I344 HydrophobicContact CE1-CD1 4.47Å; F308-I344 HydrophobicContact CG-CD1 3.79Å |
| 309 | L | 88.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.5 | -37.1 | -177.3 | -74.6 | 173.6 | 0 | 0 | 0 | 113 | Y44 P48 N305 L306 T307 Y312 D313 V336 V340 | Y44-L309 HydrophobicContact CD1-CB 4Å; Y44-L309 HydrophobicContact CD1-CD2 3.89Å; Y44-L309 HydrophobicContact CD1-CG 4.37Å; Y44-L309 HydrophobicContact CE1-CD2 4.16Å; P48-L309 HydrophobicContact CB-CD1 4.3Å; P48-L309 HydrophobicContact CG-CD1 3.31Å; N305-L309 WeakPolarHBondContact O-CB 3.42Å; N305-L309 WeakPolarHBondContact O-CD1 3.19Å; N305-L309 WeakPolarHBondContact O-CG 3.34Å; N305-L309 PolarHBondContact O-N 3.31Å; L306-L309 PolarHBondContact O-N 3.49Å; T307-L309 VanDerWaalsContact C-N 3.33Å; T307-L309 PolarHBondContact O-N 3.37Å; L309-Y312 PolarHBondContact O-N 2.89Å; L309-D313 PolarHBondContact O-N 3.41Å; L309-V336 HydrophobicContact CD2-CB 4.29Å; L309-V336 HydrophobicContact CD2-CG1 3.82Å; L309-V336 HydrophobicContact CD2-CG2 3.9Å; L309-V340 HydrophobicContact CD1-CG2 3.74Å; L309-V340 HydrophobicContact CG-CG2 4.47Å |
| 310 | Q | 84.6 | Confident | 82.1 | Confident | 142 Ų | 142 | 77 Ų | 77 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 172.6 | -76.4 | 179 | -14.9 | 0 | 0 | 111.9 | L306 T307 Y312 D313 | L306-Q310 WeakPolarHBondContact O-CB 3.21Å; L306-Q310 VanDerWaalsContact O-CG 3.3Å; L306-Q310 WeakPolarHBondContact O-CG 3.47Å; L306-Q310 PolarHBondContact O-N 3.21Å; T307-Q310 PolarHBondContact O-N 2.91Å; Q310-Y312 VanDerWaalsContact C-N 3.33Å; Q310-D313 PolarHBondContact O-N 3.31Å |
| 311 | L | 83.6 | Confident | 81.6 | Confident | 109 Ų | 109 | 75.7 Ų | 75.7 | 57% | 0.571 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.4 | -36.9 | 174.6 | -67.1 | 172.6 | 0 | 0 | 0 | 111.6 | T307 F308 D313 L314 | T307-L311 HydrophobicContact CG2-CD1 4.29Å; T307-L311 WeakPolarHBondContact O-CG 3.45Å; T307-L311 PolarHBondContact O-N 3.49Å; T307-L311 VanDerWaalsContact O-N 3.12Å; F308-L311 PolarHBondContact O-N 3.44Å; L311-D313 VanDerWaalsContact C-N 3.31Å; L311-D313 PolarHBondContact O-N 3.16Å; L311-L314 HydrophobicContact CD2-CD1 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.09Å |
| 312 | Y | 84.5 | Confident | 81.1 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.6 | -31.9 | 179.7 | -166.1 | -109.5 | 0 | 0 | 0 | 112.8 | Y44 F308 L309 Q310 L314 I315 K332 S335 V336 | Y44-Y312 HydrophobicContact CE1-CD1 4.33Å; F308-Y312 HydrophobicContact CE1-CD2 4.48Å; F308-Y312 HydrophobicContact CE1-CG 4.5Å; F308-Y312 HydrophobicContact CZ-CD2 4.16Å; F308-Y312 VanDerWaalsContact O-CB 3.26Å; F308-Y312 WeakPolarHBondContact O-CB 3.38Å; F308-Y312 PolarHBondContact O-N 3.32Å; L309-Y312 PolarHBondContact O-N 2.89Å; Q310-Y312 VanDerWaalsContact C-N 3.33Å; Y312-L314 VanDerWaalsContact C-N 3.27Å; Y312-L314 PolarHBondContact O-N 2.84Å; Y312-I315 HydrophobicContact CD2-CD1 3.86Å; Y312-I315 HydrophobicContact CE2-CD1 4.13Å; Y312-I315 WeakPolarHBondContact O-CB 3.1Å; Y312-I315 PolarHBondContact O-N 3.21Å; Y312-K332 HydrophobicContact CE1-CD 4.26Å; Y312-K332 HydrophobicContact CE1-CG 3.47Å; Y312-K332 VanDerWaalsContact CE1-CG 3.47Å; Y312-K332 WeakPolarHBondContact OH-CA 3.37Å; Y312-K332 WeakPolarHBondContact OH-CG 3.35Å; Y312-S335 PolarHBondContact OH-OG 3.11Å; Y312-V336 HydrophobicContact CD1-CG2 4.14Å; Y312-V336 HydrophobicContact CE1-CG2 4.04Å |
| 313 | D | 79.9 | Confident | 80.6 | Confident | 85 Ų | 85 | 84.7 Ų | 84.7 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.4 | -26.3 | 177.4 | -161.3 | 45.1 | 0 | 0 | 0 | 112.8 | L309 Q310 L311 I315 | L309-D313 PolarHBondContact O-N 3.41Å; Q310-D313 PolarHBondContact O-N 3.31Å; L311-D313 VanDerWaalsContact C-N 3.31Å; L311-D313 PolarHBondContact O-N 3.16Å; D313-I315 PolarHBondContact O-N 2.91Å |
| 314 | L | 77.7 | Confident | 80.4 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 71% | 0.707 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.3 | 175.5 | -59.7 | 175.5 | 0 | 0 | 0 | 113.1 | L311 Y312 K316 | L311-L314 HydrophobicContact CD2-CD1 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.09Å; Y312-L314 VanDerWaalsContact C-N 3.27Å; Y312-L314 PolarHBondContact O-N 2.84Å; L314-K316 PolarHBondContact O-N 3.08Å |
| 315 | I | 77.9 | Confident | 80.2 | Confident | 98 Ų | 98 | 83.1 Ų | 83.1 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -74.7 | 101 | 178.9 | -54.9 | 176.8 | 0 | 0 | 0 | 108.9 | Y312 D313 K332 | Y312-I315 HydrophobicContact CD2-CD1 3.86Å; Y312-I315 HydrophobicContact CE2-CD1 4.13Å; Y312-I315 WeakPolarHBondContact O-CB 3.1Å; Y312-I315 PolarHBondContact O-N 3.21Å; D313-I315 PolarHBondContact O-N 2.91Å; I315-K332 PolarHBondContact O-NZ 3.16Å | ||
| 316 | K | 70.8 | Confident | 79.9 | Confident | 198 Ų | 198 | 86.2 Ų | 86.2 | 86% | 0.861 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 138.1 | 171.9 | -67.9 | -173.9 | 179.6 | -178.6 | 0 | 110.5 | L314 | L314-K316 PolarHBondContact O-N 3.08Š|
| 317 | M | 69.3 | Low | 79.8 | Confident | 44 Ų | 44 | 89 Ų | 89 | 22% | 0.217 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 141.5 | 179.6 | -65.6 | -121.9 | -64.6 | 0 | 0 | 111.3 | N319 F325 L328 K332 | M317-N319 PolarHBondContact O-OD1 2.91Å; M317-F325 HydrophobicContact CE-CD2 4.27Å; M317-F325 HydrophobicContact CE-CE2 4.29Å; M317-L328 VanDerWaalsContact CE-C 3.49Å; M317-L328 HydrophobicContact CE-CB 3.73Å; M317-L328 HydrophobicContact SD-CB 3.6Å; M317-K332 HydrophobicContact CG-CD 4.13Å; M317-K332 HydrophobicContact SD-CB 4.21Å; M317-K332 HydrophobicContact SD-CD 3.97Å |
| 318 | P | 70.8 | Confident | 79.8 | Confident | 58 Ų | 58 | 88.2 Ų | 88.2 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 129 | 174.5 | 26.3 | -31 | 0 | 0 | 0 | 111 | L328 | P318-L328 HydrophobicContact CG-CD1 3.59Š|
| 319 | N | 65.8 | Low | 79.7 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | trans | -105.6 | 23.9 | -173.8 | -70.3 | -9.6 | 0 | 0 | 0 | 113.6 | M317 S321 F325 | M317-N319 PolarHBondContact O-OD1 2.91Å; N319-S321 PolarHBondContact O-N 3.48Å; N319-F325 VanDerWaalsContact OD1-CD2 3.28Å; N319-F325 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 320 | H | 66.9 | Low | 79.8 | Confident | 179 Ų | 179 | 87.7 Ų | 87.7 | 83% | 0.829 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -75 | -23.1 | -172.5 | -62 | -67.2 | 0 | 0 | 0 | 114.5 | ||
| 321 | S | 77.8 | Confident | 80.2 | Confident | 55 Ų | 55 | 84.1 Ų | 84.1 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | trans | -143 | 134.5 | 178.9 | 157.3 | 0 | 0 | 0 | 0 | 109.8 | N319 A323 L324 F325 | N319-S321 PolarHBondContact O-N 3.48Å; S321-A323 PolarHBondContact O-N 3.1Å; S321-A323 PolarHBondContact OG-N 2.9Å; S321-L324 PolarHBondContact O-N 2.9Å; S321-L324 PolarHBondContact OG-N 3.45Å; S321-F325 WeakPolarHBondContact O-CB 3.26Å; S321-F325 PolarHBondContact O-N 2.99Å | ||
| 322 | E | 77.9 | Confident | 80.5 | Confident | 149 Ų | 149 | 80.6 Ų | 80.6 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 179.8 | -64.4 | -174.4 | 175.5 | 0 | 0 | 112 | L324 F325 Y326 | E322-L324 PolarHBondContact O-N 3.41Å; E322-F325 WeakPolarHBondContact O-CB 3.45Å; E322-F325 PolarHBondContact O-N 3.14Å; E322-Y326 HydrophobicContact CB-CE2 4.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.39Å; E322-Y326 PolarHBondContact O-N 3.32Å |
| 323 | A | 80.7 | Confident | 80.9 | Confident | 62 Ų | 62 | 79 Ų | 79 | 51% | 0.512 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S321 F325 Y326 I327 | S321-A323 PolarHBondContact O-N 3.1Å; S321-A323 PolarHBondContact OG-N 2.9Å; A323-F325 VanDerWaalsContact C-N 3.33Å; A323-F325 PolarHBondContact O-N 3.29Å; A323-Y326 PolarHBondContact O-N 3.13Å; A323-I327 WeakPolarHBondContact O-CG1 3.49Å; A323-I327 PolarHBondContact O-N 3.29Å; A323-I327 VanDerWaalsContact O-N 3.09Å |
| 324 | L | 84.5 | Confident | 81.6 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.1 | -177.6 | 65.6 | 0 | 0 | 0 | 110.9 | S321 E322 Y326 I327 L328 | S321-L324 PolarHBondContact O-N 2.9Å; S321-L324 PolarHBondContact OG-N 3.45Å; E322-L324 PolarHBondContact O-N 3.41Å; L324-Y326 PolarHBondContact O-N 3.4Å; L324-I327 PolarHBondContact O-N 2.92Å; L324-L328 HydrophobicContact CD1-CD1 3.98Å; L324-L328 HydrophobicContact CD1-CG 4.08Å; L324-L328 HydrophobicContact CD2-CD1 4.39Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.26Å; L324-L328 WeakPolarHBondContact O-CB 3.24Å; L324-L328 VanDerWaalsContact O-CG 3.23Å; L324-L328 WeakPolarHBondContact O-CG 3.32Å; L324-L328 PolarHBondContact O-N 3.35Å |
| 325 | F | 85.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.4 | 172.2 | -95.2 | 0 | 0 | 0 | 112.1 | L256 D257 A262 M317 N319 S321 E322 A323 L328 S329 | L256-F325 HydrophobicContact CB-CZ 4.42Å; D257-F325 VanDerWaalsContact OD1-CE2 3.28Å; D257-F325 WeakPolarHBondContact OD1-CE2 3.47Å; D257-F325 WeakPolarHBondContact OD1-CZ 3.35Å; A262-F325 HydrophobicContact CB-CE1 3.95Å; A262-F325 HydrophobicContact CB-CZ 4.48Å; M317-F325 HydrophobicContact CE-CD2 4.27Å; M317-F325 HydrophobicContact CE-CE2 4.29Å; N319-F325 VanDerWaalsContact OD1-CD2 3.28Å; N319-F325 WeakPolarHBondContact OD1-CD2 3.33Å; S321-F325 WeakPolarHBondContact O-CB 3.26Å; S321-F325 PolarHBondContact O-N 2.99Å; E322-F325 WeakPolarHBondContact O-CB 3.45Å; E322-F325 PolarHBondContact O-N 3.14Å; A323-F325 VanDerWaalsContact C-N 3.33Å; A323-F325 PolarHBondContact O-N 3.29Å; F325-L328 PolarHBondContact O-N 2.57Å; F325-S329 VanDerWaalsContact O-CB 3.22Å; F325-S329 WeakPolarHBondContact O-CB 3.44Å; F325-S329 PolarHBondContact O-N 3.24Å |
| 326 | Y | 86.2 | Confident | 83 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 178.6 | -66.9 | -54 | 0 | 0 | 0 | 113 | F261 A262 E322 A323 L324 S329 F330 | F261-Y326 HydrophobicContact CB-CE1 3.92Å; A262-Y326 HydrophobicContact CB-CE1 4.17Å; E322-Y326 HydrophobicContact CB-CE2 4.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.39Å; E322-Y326 PolarHBondContact O-N 3.32Å; A323-Y326 PolarHBondContact O-N 3.13Å; L324-Y326 PolarHBondContact O-N 3.4Å; Y326-S329 PolarHBondContact O-N 3.25Å; Y326-F330 PolarHBondContact O-N 3.33Å |
| 327 | I | 86.7 | Confident | 84.1 | Confident | 104 Ų | 104 | 57 Ų | 57 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -49 | 177 | -68.6 | 168.8 | 0 | 0 | 0 | 110.2 | A323 L324 S329 F330 C331 | A323-I327 WeakPolarHBondContact O-CG1 3.49Å; A323-I327 PolarHBondContact O-N 3.29Å; A323-I327 VanDerWaalsContact O-N 3.09Å; L324-I327 PolarHBondContact O-N 2.92Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.09Å; I327-F330 WeakPolarHBondContact O-CB 3.5Å; I327-F330 PolarHBondContact O-N 2.98Å; I327-C331 PolarHBondContact O-N 3.47Å; I327-C331 PolarHBondContact O-SG 3.41Å; I327-C331 VanDerWaalsContact O-SG 3.35Å |
| 328 | L | 87.3 | Confident | 85.3 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 178.3 | -69 | 176.4 | 0 | 0 | 0 | 111.6 | M317 P318 L324 F325 C331 K332 | M317-L328 VanDerWaalsContact CE-C 3.49Å; M317-L328 HydrophobicContact CE-CB 3.73Å; M317-L328 HydrophobicContact SD-CB 3.6Å; P318-L328 HydrophobicContact CG-CD1 3.59Å; L324-L328 HydrophobicContact CD1-CD1 3.98Å; L324-L328 HydrophobicContact CD1-CG 4.08Å; L324-L328 HydrophobicContact CD2-CD1 4.39Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.26Å; L324-L328 WeakPolarHBondContact O-CB 3.24Å; L324-L328 VanDerWaalsContact O-CG 3.23Å; L324-L328 WeakPolarHBondContact O-CG 3.32Å; L324-L328 PolarHBondContact O-N 3.35Å; F325-L328 PolarHBondContact O-N 2.57Å; L328-C331 PolarHBondContact O-N 3.27Å; L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.1Å; L328-K332 PolarHBondContact O-N 3.34Å |
| 329 | S | 87.5 | Confident | 86.3 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 12% | 0.119 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | F325 Y326 I327 S333 | F325-S329 VanDerWaalsContact O-CB 3.22Å; F325-S329 WeakPolarHBondContact O-CB 3.44Å; F325-S329 PolarHBondContact O-N 3.24Å; Y326-S329 PolarHBondContact O-N 3.25Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.09Å; S329-S333 VanDerWaalsContact O-CB 3.29Å; S329-S333 WeakPolarHBondContact O-CB 3.45Å; S329-S333 PolarHBondContact O-N 3Å |
| 330 | F | 91.3 | Very high | 87.6 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 171.7 | 178.3 | -86.2 | 0 | 0 | 0 | 111.1 | C265 L268 G269 F272 Y326 I327 S333 A334 | C265-F330 WeakPolarHBondContact O-CD2 3.36Å; L268-F330 HydrophobicContact CB-CD2 4.18Å; L268-F330 HydrophobicContact CB-CE2 3.92Å; G269-F330 VanDerWaalsContact CA-CE2 3.44Å; G269-F330 VanDerWaalsContact N-CE2 3.32Å; F272-F330 HydrophobicContact CB-CE2 4.5Å; F272-F330 HydrophobicContact CB-CZ 3.98Å; F272-F330 HydrophobicContact CD1-CE1 4.03Å; F272-F330 AromaticContact CD1-CZ 3.81Å; F272-F330 HydrophobicContact CD1-CZ 3.81Å; F272-F330 HydrophobicContact CE1-CE1 4.4Å; F272-F330 HydrophobicContact CE1-CZ 4.48Å; F272-F330 AromaticContact CG-CZ 3.92Å; F272-F330 HydrophobicContact CG-CZ 3.92Å; Y326-F330 PolarHBondContact O-N 3.33Å; I327-F330 WeakPolarHBondContact O-CB 3.5Å; I327-F330 PolarHBondContact O-N 2.98Å; F330-S333 PolarHBondContact O-N 2.97Å; F330-A334 WeakPolarHBondContact O-CB 3.49Å; F330-A334 PolarHBondContact O-N 3.04Å |
| 331 | C | 91.7 | Very high | 88.8 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 46% | 0.459 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 179.7 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | I327 L328 S333 A334 S335 | I327-C331 PolarHBondContact O-N 3.47Å; I327-C331 PolarHBondContact O-SG 3.41Å; I327-C331 VanDerWaalsContact O-SG 3.35Å; L328-C331 PolarHBondContact O-N 3.27Å; C331-S333 VanDerWaalsContact C-N 3.31Å; C331-S333 PolarHBondContact O-N 3.28Å; C331-A334 PolarHBondContact O-N 3.45Å; C331-S335 PolarHBondContact O-N 3.02Å; C331-S335 PolarHBondContact O-OG 2.99Å |
| 332 | K | 90.5 | Very high | 89.5 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 15% | 0.148 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 177.3 | -175.4 | 175.2 | -177.1 | 173.2 | 0 | 110.9 | Y312 I315 M317 L328 S335 V336 | Y312-K332 HydrophobicContact CE1-CD 4.26Å; Y312-K332 HydrophobicContact CE1-CG 3.47Å; Y312-K332 VanDerWaalsContact CE1-CG 3.47Å; Y312-K332 WeakPolarHBondContact OH-CA 3.37Å; Y312-K332 WeakPolarHBondContact OH-CG 3.35Å; I315-K332 PolarHBondContact O-NZ 3.16Å; M317-K332 HydrophobicContact CG-CD 4.13Å; M317-K332 HydrophobicContact SD-CB 4.21Å; M317-K332 HydrophobicContact SD-CD 3.97Å; L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.1Å; L328-K332 PolarHBondContact O-N 3.34Å; K332-S335 PolarHBondContact O-N 2.98Å; K332-S335 PolarHBondContact O-OG 2.96Å; K332-V336 PolarHBondContact O-N 3.07Å |
| 333 | S | 91.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -36.9 | 179.2 | -162.2 | 0 | 0 | 0 | 0 | 112.7 | R266 A270 S329 F330 C331 V336 P337 | R266-S333 VanDerWaalsContact CG-OG 3.24Å; R266-S333 WeakPolarHBondContact CG-OG 3.4Å; R266-S333 WeakPolarHBondContact O-CB 3.38Å; R266-S333 PolarHBondContact O-OG 3.25Å; A270-S333 PolarHBondContact N-OG 3.28Å; S329-S333 VanDerWaalsContact O-CB 3.29Å; S329-S333 WeakPolarHBondContact O-CB 3.45Å; S329-S333 PolarHBondContact O-N 3Å; F330-S333 PolarHBondContact O-N 2.97Å; C331-S333 VanDerWaalsContact C-N 3.31Å; C331-S333 PolarHBondContact O-N 3.28Å; S333-V336 PolarHBondContact O-N 2.79Å; S333-P337 WeakPolarHBondContact O-CD 3.4Å |
| 334 | A | 94.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G269 F272 G273 F330 C331 V336 F338 | G269-A334 WeakPolarHBondContact O-CA 3.44Å; G269-A334 VanDerWaalsContact O-CB 3.29Å; G269-A334 WeakPolarHBondContact O-CB 3.43Å; F272-A334 HydrophobicContact CD1-CB 4.17Å; G273-A334 WeakPolarHBondContact CA-O 3.25Å; F330-A334 WeakPolarHBondContact O-CB 3.49Å; F330-A334 PolarHBondContact O-N 3.04Å; C331-A334 PolarHBondContact O-N 3.45Å; A334-V336 PolarHBondContact O-N 3.47Å; A334-F338 WeakPolarHBondContact O-CB 3.45Å; A334-F338 PolarHBondContact O-N 2.73Å |
| 335 | S | 92.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.3 | -24.9 | 177.9 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | Y312 C331 K332 G339 | Y312-S335 PolarHBondContact OH-OG 3.11Å; C331-S335 PolarHBondContact O-N 3.02Å; C331-S335 PolarHBondContact O-OG 2.99Å; K332-S335 PolarHBondContact O-N 2.98Å; K332-S335 PolarHBondContact O-OG 2.96Å; S335-G339 PolarHBondContact O-N 3.2Å |
| 336 | V | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -60.7 | -179.1 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | F43 Y44 L309 Y312 K332 S333 A334 F338 G339 V340 | F43-V336 HydrophobicContact CB-CG1 4.21Å; Y44-V336 HydrophobicContact CE1-CG2 3.79Å; L309-V336 HydrophobicContact CD2-CB 4.29Å; L309-V336 HydrophobicContact CD2-CG1 3.82Å; L309-V336 HydrophobicContact CD2-CG2 3.9Å; Y312-V336 HydrophobicContact CD1-CG2 4.14Å; Y312-V336 HydrophobicContact CE1-CG2 4.04Å; K332-V336 PolarHBondContact O-N 3.07Å; S333-V336 PolarHBondContact O-N 2.79Å; A334-V336 PolarHBondContact O-N 3.47Å; V336-F338 VanDerWaalsContact C-N 3.28Å; V336-F338 PolarHBondContact O-N 2.72Å; V336-G339 PolarHBondContact O-N 2.82Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.3Å; V336-V340 PolarHBondContact O-N 2.95Å |
| 337 | P | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -34.3 | 176.1 | -26.3 | 38.8 | 0 | 0 | 0 | 113.4 | F47 I62 A270 L274 S333 V340 V341 | F47-P337 HydrophobicContact CE1-CB 4.17Å; F47-P337 HydrophobicContact CE1-CG 4.49Å; F47-P337 HydrophobicContact CZ-CB 4.22Å; I62-P337 HydrophobicContact CD1-CG 4.4Å; A270-P337 HydrophobicContact CB-CG 4.15Å; A270-P337 WeakPolarHBondContact O-CG 3.37Å; L274-P337 HydrophobicContact CB-CB 3.97Å; L274-P337 HydrophobicContact CD1-CB 4.49Å; S333-P337 WeakPolarHBondContact O-CD 3.4Å; P337-V340 PolarHBondContact O-N 3.18Å; P337-V341 VanDerWaalsContact O-CB 3.29Å; P337-V341 WeakPolarHBondContact O-CB 3.28Å; P337-V341 WeakPolarHBondContact O-CG2 3.34Å; P337-V341 PolarHBondContact O-N 3.34Å |
| 338 | F | 94.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 28.2 Ų | 28.2 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | 176.6 | -171.7 | -103.2 | 0 | 0 | 0 | 112.7 | L276 A277 A334 V336 A342 V343 | L276-F338 HydrophobicContact CB-CD2 4.01Å; L276-F338 HydrophobicContact CB-CE2 4.25Å; A277-F338 HydrophobicContact CB-CD2 4.03Å; A334-F338 WeakPolarHBondContact O-CB 3.45Å; A334-F338 PolarHBondContact O-N 2.73Å; V336-F338 VanDerWaalsContact C-N 3.28Å; V336-F338 PolarHBondContact O-N 2.72Å; F338-A342 HydrophobicContact CD2-CB 4.47Å; F338-A342 HydrophobicContact CE2-CB 4.29Å; F338-A342 WeakPolarHBondContact O-CB 3.11Å; F338-A342 PolarHBondContact O-N 3.06Å; F338-V343 HydrophobicContact CD1-CG2 3.65Å; F338-V343 HydrophobicContact CE1-CG2 3.43Å; F338-V343 VanDerWaalsContact CE1-CG2 3.43Å; F338-V343 HydrophobicContact CZ-CG2 4.3Å; F338-V343 PolarHBondContact O-N 3.45Å |
| 339 | G | 92.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 26 Ų | 26 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -61.6 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S335 V336 V341 V343 I344 | S335-G339 PolarHBondContact O-N 3.2Å; V336-G339 PolarHBondContact O-N 2.82Å; G339-V341 PolarHBondContact O-N 3.1Å; G339-V343 PolarHBondContact O-N 3.25Å; G339-I344 WeakPolarHBondContact O-CB 3.33Å; G339-I344 PolarHBondContact O-N 3.02Å |
| 340 | V | 92.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -65.5 | -40.8 | -175.4 | 172.3 | 0 | 0 | 0 | 0 | 113.5 | F47 P48 N305 L309 V336 P337 P345 | F47-V340 HydrophobicContact CD1-CB 4.39Å; F47-V340 HydrophobicContact CD1-CG1 4.05Å; F47-V340 HydrophobicContact CD1-CG2 4.41Å; F47-V340 HydrophobicContact CE1-CB 3.7Å; F47-V340 HydrophobicContact CE1-CG1 3.54Å; F47-V340 HydrophobicContact CE1-CG2 4.12Å; F47-V340 HydrophobicContact CZ-CG1 4.16Å; P48-V340 HydrophobicContact CB-CG1 4.09Å; P48-V340 HydrophobicContact CB-CG2 4.42Å; P48-V340 HydrophobicContact CG-CG1 4.35Å; P48-V340 HydrophobicContact CG-CG2 4.03Å; N305-V340 HydrophobicContact CB-CG2 4.49Å; N305-V340 VanDerWaalsContact OD1-CA 3.25Å; N305-V340 WeakPolarHBondContact OD1-CA 3.39Å; L309-V340 HydrophobicContact CD1-CG2 3.74Å; L309-V340 HydrophobicContact CG-CG2 4.47Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.3Å; V336-V340 PolarHBondContact O-N 2.95Å; P337-V340 PolarHBondContact O-N 3.18Å; V340-P345 WeakPolarHBondContact O-CD 3.24Å; V340-P345 VanDerWaalsContact O-CG 3.27Å; V340-P345 WeakPolarHBondContact O-CG 3.39Å |
| 341 | V | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -92.7 | -37.4 | -171.1 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | F47 F51 L274 A277 V278 F283 P337 G339 | F47-V341 HydrophobicContact CE1-CG2 4.37Å; F47-V341 HydrophobicContact CZ-CG2 3.63Å; F51-V341 HydrophobicContact CD1-CG2 3.98Å; F51-V341 HydrophobicContact CD2-CG2 3.91Å; F51-V341 HydrophobicContact CE1-CB 4Å; F51-V341 HydrophobicContact CE1-CG1 3.86Å; F51-V341 HydrophobicContact CE1-CG2 3.68Å; F51-V341 HydrophobicContact CE2-CB 4.46Å; F51-V341 HydrophobicContact CE2-CG1 4.14Å; F51-V341 HydrophobicContact CE2-CG2 3.61Å; F51-V341 HydrophobicContact CG-CG2 4.1Å; F51-V341 HydrophobicContact CZ-CB 3.91Å; F51-V341 HydrophobicContact CZ-CG1 3.42Å; F51-V341 VanDerWaalsContact CZ-CG1 3.42Å; F51-V341 HydrophobicContact CZ-CG2 3.5Å; L274-V341 HydrophobicContact CD1-CG2 4.05Å; A277-V341 HydrophobicContact CB-CB 3.57Å; A277-V341 HydrophobicContact CB-CG1 3.6Å; A277-V341 HydrophobicContact CB-CG2 4.46Å; V278-V341 HydrophobicContact CG1-CG1 3.99Å; F283-V341 HydrophobicContact CD2-CG1 3.64Å; F283-V341 WeakPolarHBondContact CD2-O 3.29Å; F283-V341 HydrophobicContact CE2-CG1 4.03Å; F283-V341 HydrophobicContact CG-CG1 4.15Å; P337-V341 VanDerWaalsContact O-CB 3.29Å; P337-V341 WeakPolarHBondContact O-CB 3.28Å; P337-V341 WeakPolarHBondContact O-CG2 3.34Å; P337-V341 PolarHBondContact O-N 3.34Å; G339-V341 PolarHBondContact O-N 3.1Å |
| 342 | A | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -111 | -57.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A277 S280 M282 F338 Y346 | A277-A342 HydrophobicContact CB-CB 4.07Å; S280-A342 WeakPolarHBondContact OG-CB 3.25Å; M282-A342 HydrophobicContact CB-CB 4.2Å; F338-A342 HydrophobicContact CD2-CB 4.47Å; F338-A342 HydrophobicContact CE2-CB 4.29Å; F338-A342 WeakPolarHBondContact O-CB 3.11Å; F338-A342 PolarHBondContact O-N 3.06Å; A342-Y346 WeakPolarHBondContact O-CB 3.39Å; A342-Y346 PolarHBondContact O-N 3.31Å |
| 343 | V | 92.1 | Very high | 90 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -69.6 | -55.4 | -167.8 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | M282 F338 G339 Y346 C347 | M282-V343 HydrophobicContact CE-CB 4.45Å; M282-V343 HydrophobicContact CE-CG2 4.32Å; F338-V343 HydrophobicContact CD1-CG2 3.65Å; F338-V343 HydrophobicContact CE1-CG2 3.43Å; F338-V343 VanDerWaalsContact CE1-CG2 3.43Å; F338-V343 HydrophobicContact CZ-CG2 4.3Å; F338-V343 PolarHBondContact O-N 3.45Å; G339-V343 PolarHBondContact O-N 3.25Å; V343-Y346 WeakPolarHBondContact O-CB 3.35Å; V343-Y346 PolarHBondContact O-N 3.05Å; V343-C347 PolarHBondContact O-N 3.29Å; V343-C347 PolarHBondContact O-SG 3.12Å; V343-C347 VanDerWaalsContact O-SG 3.34Å |
| 344 | I | 91.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | -174.4 | -72 | 168.1 | 0 | 0 | 0 | 111.3 | A304 N305 F308 G339 Y346 C347 V348 | A304-I344 HydrophobicContact CB-CG2 3.77Å; N305-I344 WeakPolarHBondContact OD1-CB 3.47Å; N305-I344 WeakPolarHBondContact OD1-CD1 3.43Å; F308-I344 HydrophobicContact CB-CD1 3.82Å; F308-I344 HydrophobicContact CD1-CD1 3.71Å; F308-I344 HydrophobicContact CE1-CD1 4.47Å; F308-I344 HydrophobicContact CG-CD1 3.79Å; G339-I344 WeakPolarHBondContact O-CB 3.33Å; G339-I344 PolarHBondContact O-N 3.02Å; I344-Y346 PolarHBondContact O-N 3.07Å; I344-C347 PolarHBondContact O-N 2.84Å; I344-V348 HydrophobicContact CG2-CG2 4.39Å; I344-V348 WeakPolarHBondContact O-CG2 3.35Å; I344-V348 PolarHBondContact O-N 2.89Å |
| 345 | P | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -34.6 | 175.3 | -26.9 | 38.4 | 0 | 0 | 0 | 113.4 | C287 F297 V340 C349 | C287-P345 WeakPolarHBondContact SG-CB 3.34Å; F297-P345 WeakPolarHBondContact CE2-O 3.18Å; F297-P345 HydrophobicContact CZ-CB 3.95Å; V340-P345 WeakPolarHBondContact O-CD 3.24Å; V340-P345 VanDerWaalsContact O-CG 3.27Å; V340-P345 WeakPolarHBondContact O-CG 3.39Å; P345-C349 WeakPolarHBondContact O-CB 3.45Å; P345-C349 PolarHBondContact O-N 3.47Å |
| 346 | Y | 89.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.3 | -46.3 | 175.4 | -178.4 | -101.3 | 0 | 0 | 0 | 112.6 | M282 S286 A342 V343 I344 V348 C349 L350 | M282-Y346 HydrophobicContact CB-CD2 4.24Å; M282-Y346 HydrophobicContact CB-CG 4.25Å; M282-Y346 HydrophobicContact CE-CD1 3.47Å; M282-Y346 VanDerWaalsContact CE-CD1 3.47Å; M282-Y346 HydrophobicContact CE-CE1 4.22Å; M282-Y346 HydrophobicContact CE-CG 3.7Å; M282-Y346 HydrophobicContact CG-CD2 4.4Å; M282-Y346 HydrophobicContact CG-CG 4.32Å; S286-Y346 WeakPolarHBondContact OG-CA 3.44Å; S286-Y346 WeakPolarHBondContact OG-CB 3.46Å; S286-Y346 PolarHBondContact OG-N 3.4Å; A342-Y346 WeakPolarHBondContact O-CB 3.39Å; A342-Y346 PolarHBondContact O-N 3.31Å; V343-Y346 WeakPolarHBondContact O-CB 3.35Å; V343-Y346 PolarHBondContact O-N 3.05Å; I344-Y346 PolarHBondContact O-N 3.07Å; Y346-V348 PolarHBondContact O-N 3.23Å; Y346-C349 WeakPolarHBondContact O-CB 3.47Å; Y346-C349 PolarHBondContact O-N 2.87Å; Y346-L350 HydrophobicContact CD1-CD1 3.97Å; Y346-L350 HydrophobicContact CE1-CD1 3.45Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.45Å; Y346-L350 HydrophobicContact CE1-CG 4.18Å; Y346-L350 WeakPolarHBondContact O-CG 3.36Å; Y346-L350 PolarHBondContact O-N 3.22Å |
| 347 | C | 89.3 | Confident | 85 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 41% | 0.412 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | V343 I344 C349 L350 L351 | V343-C347 PolarHBondContact O-N 3.29Å; V343-C347 PolarHBondContact O-SG 3.12Å; V343-C347 VanDerWaalsContact O-SG 3.34Å; I344-C347 PolarHBondContact O-N 2.84Å; C347-C349 VanDerWaalsContact C-N 3.32Å; C347-C349 PolarHBondContact O-N 2.9Å; C347-L350 PolarHBondContact O-N 3.4Å; C347-L351 WeakPolarHBondContact O-CG 3.26Å; C347-L351 PolarHBondContact O-N 3.35Å; C347-L351 VanDerWaalsContact O-N 3.07Å |
| 348 | V | 87.7 | Confident | 83.1 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 176.7 | 176 | 0 | 0 | 0 | 0 | 111.1 | F297 L300 I344 Y346 L350 L351 I352 | F297-V348 HydrophobicContact CD2-CB 4.44Å; F297-V348 HydrophobicContact CD2-CG1 3.7Å; F297-V348 HydrophobicContact CE2-CB 4.05Å; F297-V348 HydrophobicContact CE2-CG1 3.82Å; L300-V348 HydrophobicContact CB-CG1 3.92Å; L300-V348 HydrophobicContact CD1-CG1 4.35Å; I344-V348 HydrophobicContact CG2-CG2 4.39Å; I344-V348 WeakPolarHBondContact O-CG2 3.35Å; I344-V348 PolarHBondContact O-N 2.89Å; Y346-V348 PolarHBondContact O-N 3.23Å; V348-L350 VanDerWaalsContact C-N 3.34Å; V348-L350 PolarHBondContact O-N 3.27Å; V348-L351 PolarHBondContact O-N 3.44Å; V348-I352 HydrophobicContact CG1-CD1 4Å; V348-I352 HydrophobicContact CG1-CG1 4.48Å; V348-I352 WeakPolarHBondContact O-CG1 3.33Å; V348-I352 PolarHBondContact O-N 3.49Å |
| 349 | C | 85.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | N291 F297 P345 Y346 C347 R353 | N291-C349 PolarHBondContact ND2-SG 3.45Å; F297-C349 HydrophobicContact CE2-CB 3.98Å; P345-C349 WeakPolarHBondContact O-CB 3.45Å; P345-C349 PolarHBondContact O-N 3.47Å; Y346-C349 WeakPolarHBondContact O-CB 3.47Å; Y346-C349 PolarHBondContact O-N 2.87Å; C347-C349 VanDerWaalsContact C-N 3.32Å; C347-C349 PolarHBondContact O-N 2.9Å; C349-R353 WeakPolarHBondContact O-CB 3.25Å; C349-R353 VanDerWaalsContact O-CG 3.29Å; C349-R353 WeakPolarHBondContact O-CG 3.31Å; C349-R353 PolarHBondContact O-N 3.47Å; C349-R353 VanDerWaalsContact O-N 3.12Å |
| 350 | L | 86.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.2 | -70.4 | 177.9 | 0 | 0 | 0 | 112 | Y346 C347 V348 I352 R353 D354 | Y346-L350 HydrophobicContact CD1-CD1 3.97Å; Y346-L350 HydrophobicContact CE1-CD1 3.45Å; Y346-L350 VanDerWaalsContact CE1-CD1 3.45Å; Y346-L350 HydrophobicContact CE1-CG 4.18Å; Y346-L350 WeakPolarHBondContact O-CG 3.36Å; Y346-L350 PolarHBondContact O-N 3.22Å; C347-L350 PolarHBondContact O-N 3.4Å; V348-L350 VanDerWaalsContact C-N 3.34Å; V348-L350 PolarHBondContact O-N 3.27Å; L350-I352 PolarHBondContact O-N 3.27Å; L350-R353 PolarHBondContact O-N 3.43Å; L350-D354 PolarHBondContact O-N 2.67Å |
| 351 | L | 85.8 | Confident | 77.7 | Confident | 114 Ų | 114 | 74.4 Ų | 74.4 | 60% | 0.597 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 178.7 | -70.3 | 170.7 | 0 | 0 | 0 | 112.1 | C347 V348 R353 D354 D355 | C347-L351 WeakPolarHBondContact O-CG 3.26Å; C347-L351 PolarHBondContact O-N 3.35Å; C347-L351 VanDerWaalsContact O-N 3.07Å; V348-L351 PolarHBondContact O-N 3.44Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 2.92Å; L351-D354 PolarHBondContact O-N 2.81Å; L351-D355 PolarHBondContact O-N 2.92Å; L351-D355 VanDerWaalsContact O-N 3.1Å |
| 352 | I | 83.6 | Confident | 76.9 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 178.3 | -65.9 | 174 | 0 | 0 | 0 | 111.1 | F297 L300 V348 L350 D354 D355 E356 | F297-I352 HydrophobicContact CB-CD1 4.18Å; F297-I352 HydrophobicContact CD2-CD1 3.78Å; F297-I352 HydrophobicContact CG-CD1 4.49Å; L300-I352 HydrophobicContact CD1-CD1 4.21Å; V348-I352 HydrophobicContact CG1-CD1 4Å; V348-I352 HydrophobicContact CG1-CG1 4.48Å; V348-I352 WeakPolarHBondContact O-CG1 3.33Å; V348-I352 PolarHBondContact O-N 3.49Å; L350-I352 PolarHBondContact O-N 3.27Å; I352-D354 VanDerWaalsContact C-N 3.33Å; I352-D354 PolarHBondContact O-N 3.33Å; I352-D355 PolarHBondContact O-N 3.16Å; I352-E356 PolarHBondContact O-N 3.37Å |
| 353 | R | 79.3 | Confident | 76.1 | Confident | 114 Ų | 114 | 82.7 Ų | 82.7 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 178.9 | -75.3 | 175.5 | 67.6 | -175.4 | 1.1 | 112.8 | C349 L350 L351 R357 | C349-R353 WeakPolarHBondContact O-CB 3.25Å; C349-R353 VanDerWaalsContact O-CG 3.29Å; C349-R353 WeakPolarHBondContact O-CG 3.31Å; C349-R353 PolarHBondContact O-N 3.47Å; C349-R353 VanDerWaalsContact O-N 3.12Å; L350-R353 PolarHBondContact O-N 3.43Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 2.92Å; R353-R357 WeakPolarHBondContact O-CG 3.35Å; R353-R357 PolarHBondContact O-N 3.21Å; R353-R357 VanDerWaalsContact O-N 3.15Å |
| 354 | D | 72.4 | Confident | 75.2 | Confident | 80 Ų | 80 | 84.7 Ų | 84.7 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.1 | -35.9 | 175.7 | -89.3 | -4.9 | 0 | 0 | 0 | 111.9 | L350 L351 I352 R357 K358 | L350-D354 PolarHBondContact O-N 2.67Å; L351-D354 PolarHBondContact O-N 2.81Å; I352-D354 VanDerWaalsContact C-N 3.33Å; I352-D354 PolarHBondContact O-N 3.33Å; D354-R357 PolarHBondContact O-N 3.09Å; D354-K358 WeakPolarHBondContact O-CG 3.35Å; D354-K358 PolarHBondContact O-N 3.25Å; D354-K358 VanDerWaalsContact O-N 3.09Å |
| 355 | D | 68.6 | Low | 74.1 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 174 | -81.7 | -13.9 | 0 | 0 | 0 | 111.9 | L351 I352 R357 K358 L359 | L351-D355 PolarHBondContact O-N 2.92Å; L351-D355 VanDerWaalsContact O-N 3.1Å; I352-D355 PolarHBondContact O-N 3.16Å; D355-R357 PolarHBondContact O-N 3.5Å; D355-K358 PolarHBondContact O-N 2.91Å; D355-K358 VanDerWaalsContact O-N 3.13Å; D355-L359 WeakPolarHBondContact O-CD1 3.5Å; D355-L359 PolarHBondContact O-N 3.14Å |
| 356 | E | 66.2 | Low | 73.1 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.6 | -33.6 | 173.9 | -74.1 | -175.9 | 173.4 | 0 | 0 | 112.4 | I352 | I352-E356 PolarHBondContact O-N 3.37Å |
| 357 | R | 60.9 | Low | 72 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.5 | -25.8 | 175.8 | -80.8 | 177.3 | 177.3 | -177.6 | -3 | 114.2 | R353 D354 D355 | R353-R357 WeakPolarHBondContact O-CG 3.35Å; R353-R357 PolarHBondContact O-N 3.21Å; R353-R357 VanDerWaalsContact O-N 3.15Å; D354-R357 PolarHBondContact O-N 3.09Å; D355-R357 PolarHBondContact O-N 3.5Å |
| 358 | K | 53.7 | Low | 70.7 | Confident | 159 Ų | 159 | 99.1 Ų | 99.1 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -84.1 | -17.9 | 177.7 | -73.4 | 172.3 | -175.2 | 169.8 | 0 | 113.1 | D354 D355 | D354-K358 WeakPolarHBondContact O-CG 3.35Å; D354-K358 PolarHBondContact O-N 3.25Å; D354-K358 VanDerWaalsContact O-N 3.09Å; D355-K358 PolarHBondContact O-N 2.91Å; D355-K358 VanDerWaalsContact O-N 3.13Å |
| 359 | L | 49 | Very low | 69.2 | Low | 153 Ų | 153 | 106.2 Ų | 106.2 | 80% | 0.801 | 53% | 0.528 | S | S | * | . | trans | -90.4 | -13.5 | 179 | -81.8 | 154.5 | 0 | 0 | 0 | 113.7 | D355 | D355-L359 WeakPolarHBondContact O-CD1 3.5Å; D355-L359 PolarHBondContact O-N 3.14Å | ||
| 360 | C | 39.3 | Very low | 67.7 | Low | 168 Ų | 168 | 115.1 Ų | 115.1 | 100% | 1.135 | 57% | 0.571 | S | S | * | * | trans | -96.3 | 0 | 168.3 | -77.6 | 0 | 0 | 0 | 0 | 110 |
Retrieved 360 of 360 residues in 1755.2 ms
(Link to these results)