| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.3 | Very low | 75.3 | Confident | 189 Ų | 189 | 94.7 Ų | 94.7 | 93% | 0.931 | 50% | 0.498 | S | S | * | . | 0 | -52.8 | 0 | -132.7 | 170.9 | -170.2 | 0 | 0 | 112.9 | S3 L4 I5 | M1-S3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 2.87Å; M1-I5 HydrophobicContact CG-CD1 4.48Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 2.95Å; M1-I5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | C | 56.7 | Low | 76.7 | Confident | 97 Ų | 97 | 90.2 Ų | 90.2 | 66% | 0.655 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.4 | -35.7 | -179.7 | -67.4 | 0 | 0 | 0 | 0 | 115.1 | N6 | C2-N6 WeakPolarHBondContact O-CB 3.14Å; C2-N6 VanDerWaalsContact O-CG 3.3Å; C2-N6 PolarHBondContact O-N 3.46Å; C2-N6 PolarHBondContact O-ND2 2.86Å |
| 3 | S | 70.4 | Confident | 77.8 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 63% | 0.629 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.1 | -40.5 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | M1 N6 H7 | M1-S3 PolarHBondContact O-N 3.25Å; S3-N6 PolarHBondContact O-N 3.24Å; S3-H7 WeakPolarHBondContact O-CB 3.38Å; S3-H7 PolarHBondContact O-N 3.36Å |
| 4 | L | 70.3 | Confident | 78.7 | Confident | 129 Ų | 129 | 78.2 Ų | 78.2 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 175.2 | -90.1 | 138.7 | 0 | 0 | 0 | 111.7 | M1 N6 H7 Y8 | M1-L4 PolarHBondContact O-N 2.87Å; L4-N6 VanDerWaalsContact C-N 3.34Å; L4-N6 PolarHBondContact O-N 3.22Å; L4-H7 PolarHBondContact O-N 2.72Å; L4-Y8 WeakPolarHBondContact O-CB 3.49Å; L4-Y8 PolarHBondContact O-N 2.79Å |
| 5 | I | 72.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.415 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.1 | -66.5 | 168.3 | 0 | 0 | 0 | 110.6 | M1 Y8 H9 | M1-I5 HydrophobicContact CG-CD1 4.48Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 2.95Å; M1-I5 VanDerWaalsContact O-N 3.12Å; I5-Y8 PolarHBondContact O-N 3.12Å; I5-H9 WeakPolarHBondContact CG2-CE1 3.44Å; I5-H9 VanDerWaalsContact O-CG 3.32Å; I5-H9 PolarHBondContact O-N 3.45Å; I5-H9 PolarHBondContact O-ND1 3.15Å; I5-H9 VanDerWaalsContact O-ND1 3.14Å |
| 6 | N | 78.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.6 | -75.5 | -19 | 0 | 0 | 0 | 112.5 | C2 S3 L4 S10 W135 | C2-N6 WeakPolarHBondContact O-CB 3.14Å; C2-N6 VanDerWaalsContact O-CG 3.3Å; C2-N6 PolarHBondContact O-N 3.46Å; C2-N6 PolarHBondContact O-ND2 2.86Å; S3-N6 PolarHBondContact O-N 3.24Å; L4-N6 VanDerWaalsContact C-N 3.34Å; L4-N6 PolarHBondContact O-N 3.22Å; N6-S10 WeakPolarHBondContact O-CB 3.3Å; N6-S10 PolarHBondContact O-N 3.13Å; N6-S10 PolarHBondContact O-OG 3.21Å; N6-W135 HydrophobicContact CB-CZ3 4.39Å; N6-W135 WeakPolarHBondContact O-CZ3 3.44Å |
| 7 | H | 82.2 | Confident | 81.6 | Confident | 116 Ų | 116 | 68 Ų | 68 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 175.6 | -171.7 | 60.5 | 0 | 0 | 0 | 111.3 | S3 L4 H9 S10 V11 | S3-H7 WeakPolarHBondContact O-CB 3.38Å; S3-H7 PolarHBondContact O-N 3.36Å; L4-H7 PolarHBondContact O-N 2.72Å; H7-H9 PolarHBondContact O-N 2.89Å; H7-S10 WeakPolarHBondContact CA-OG 3.2Å; H7-S10 WeakPolarHBondContact O-CB 3.49Å; H7-S10 PolarHBondContact O-N 2.83Å; H7-S10 VanDerWaalsContact O-N 3.15Å; H7-S10 PolarHBondContact O-OG 2.73Å; H7-V11 WeakPolarHBondContact O-CG2 3.46Å; H7-V11 PolarHBondContact O-N 3.26Å |
| 8 | Y | 85.7 | Confident | 82.4 | Confident | 147 Ų | 147 | 67.2 Ų | 67.2 | 58% | 0.576 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.6 | -48.4 | 175.4 | -177.7 | -105.3 | 0 | 0 | 0 | 112.2 | L4 I5 S10 V11 L12 | L4-Y8 WeakPolarHBondContact O-CB 3.49Å; L4-Y8 PolarHBondContact O-N 2.79Å; I5-Y8 PolarHBondContact O-N 3.12Å; Y8-S10 VanDerWaalsContact C-N 3.3Å; Y8-S10 PolarHBondContact O-N 2.81Å; Y8-V11 PolarHBondContact O-N 2.96Å; Y8-L12 HydrophobicContact CD1-CD1 3.84Å; Y8-L12 HydrophobicContact CD1-CG 4.34Å; Y8-L12 HydrophobicContact CE1-CD1 3.25Å; Y8-L12 HydrophobicContact CE1-CG 4Å; Y8-L12 HydrophobicContact CE2-CD1 4.38Å; Y8-L12 HydrophobicContact CE2-CD2 4.42Å; Y8-L12 HydrophobicContact CE2-CG 4.35Å; Y8-L12 WeakPolarHBondContact O-CG 3.17Å; Y8-L12 PolarHBondContact O-N 2.81Å |
| 9 | H | 86.5 | Confident | 83.2 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 175.5 | -68.5 | 143.2 | 0 | 0 | 0 | 113.1 | I5 H7 C13 W135 R212 | I5-H9 WeakPolarHBondContact CG2-CE1 3.44Å; I5-H9 VanDerWaalsContact O-CG 3.32Å; I5-H9 PolarHBondContact O-N 3.45Å; I5-H9 PolarHBondContact O-ND1 3.15Å; I5-H9 VanDerWaalsContact O-ND1 3.14Å; H7-H9 PolarHBondContact O-N 2.89Å; H9-C13 VanDerWaalsContact O-CB 3.3Å; H9-C13 WeakPolarHBondContact O-CB 3.3Å; H9-C13 PolarHBondContact O-N 2.84Å; H9-W135 HydrophobicContact CB-CH2 3.66Å; H9-W135 HydrophobicContact CB-CZ2 4.15Å; H9-W135 HydrophobicContact CB-CZ3 4.16Å; H9-R212 PolarHBondContact CE1-NH1 3.31Å; H9-R212 VanDerWaalsContact CE1-NH1 3.34Å; H9-R212 PolarHBondContact NE2-NH1 3.2Å; H9-R212 VanDerWaalsContact NE2-NH1 3.16Å |
| 10 | S | 86.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | N6 H7 Y8 C13 V14 F136 | N6-S10 WeakPolarHBondContact O-CB 3.3Å; N6-S10 PolarHBondContact O-N 3.13Å; N6-S10 PolarHBondContact O-OG 3.21Å; H7-S10 WeakPolarHBondContact CA-OG 3.2Å; H7-S10 WeakPolarHBondContact O-CB 3.49Å; H7-S10 PolarHBondContact O-N 2.83Å; H7-S10 VanDerWaalsContact O-N 3.15Å; H7-S10 PolarHBondContact O-OG 2.73Å; Y8-S10 VanDerWaalsContact C-N 3.3Å; Y8-S10 PolarHBondContact O-N 2.81Å; S10-C13 PolarHBondContact O-N 3.09Å; S10-V14 PolarHBondContact O-N 2.73Å; S10-V14 VanDerWaalsContact O-N 3.16Å; S10-F136 VanDerWaalsContact OG-CZ 3.26Å; S10-F136 WeakPolarHBondContact OG-CZ 3.39Å |
| 11 | V | 90.7 | Very high | 84.6 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -47 | 179 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | H7 Y8 C13 V14 V15 F136 | H7-V11 WeakPolarHBondContact O-CG2 3.46Å; H7-V11 PolarHBondContact O-N 3.26Å; Y8-V11 PolarHBondContact O-N 2.96Å; V11-C13 VanDerWaalsContact C-N 3.28Å; V11-C13 PolarHBondContact O-N 2.97Å; V11-V14 PolarHBondContact O-N 3.44Å; V11-V14 VanDerWaalsContact O-N 3.16Å; V11-V15 HydrophobicContact CG1-CG2 4.35Å; V11-V15 WeakPolarHBondContact O-CG2 3.3Å; V11-V15 PolarHBondContact O-N 3.36Å; V11-F136 HydrophobicContact CG2-CZ 4.48Å |
| 12 | L | 91.8 | Very high | 86.9 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 176.9 | -70.6 | -172.9 | 0 | 0 | 0 | 112.7 | Y8 V15 G16 L210 | Y8-L12 HydrophobicContact CD1-CD1 3.84Å; Y8-L12 HydrophobicContact CD1-CG 4.34Å; Y8-L12 HydrophobicContact CE1-CD1 3.25Å; Y8-L12 HydrophobicContact CE1-CG 4Å; Y8-L12 HydrophobicContact CE2-CD1 4.38Å; Y8-L12 HydrophobicContact CE2-CD2 4.42Å; Y8-L12 HydrophobicContact CE2-CG 4.35Å; Y8-L12 WeakPolarHBondContact O-CG 3.17Å; Y8-L12 PolarHBondContact O-N 2.81Å; L12-V15 PolarHBondContact O-N 3.2Å; L12-G16 PolarHBondContact O-N 2.46Å; L12-L210 HydrophobicContact CD2-CD2 4.3Å |
| 13 | C | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | H9 S10 V11 G17 R212 | H9-C13 VanDerWaalsContact O-CB 3.3Å; H9-C13 WeakPolarHBondContact O-CB 3.3Å; H9-C13 PolarHBondContact O-N 2.84Å; S10-C13 PolarHBondContact O-N 3.09Å; V11-C13 VanDerWaalsContact C-N 3.28Å; V11-C13 PolarHBondContact O-N 2.97Å; C13-G17 PolarHBondContact O-N 2.77Å; C13-R212 PolarHBondContact SG-O 3.4Å |
| 14 | V | 91.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111 | S10 V11 G16 G17 I18 F136 I143 I147 | S10-V14 PolarHBondContact O-N 2.73Å; S10-V14 VanDerWaalsContact O-N 3.16Å; V11-V14 PolarHBondContact O-N 3.44Å; V11-V14 VanDerWaalsContact O-N 3.16Å; V14-G16 PolarHBondContact O-N 2.83Å; V14-G17 PolarHBondContact O-N 3.32Å; V14-I18 HydrophobicContact CG1-CD1 3.87Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.33Å; V14-I18 PolarHBondContact O-N 3.19Å; V14-F136 HydrophobicContact CG2-CD2 3.8Å; V14-F136 HydrophobicContact CG2-CE2 3.47Å; V14-F136 VanDerWaalsContact CG2-CE2 3.47Å; V14-I143 HydrophobicContact CG2-CD1 4.46Å; V14-I147 HydrophobicContact CG1-CG1 4.36Å |
| 15 | V | 94.8 | Very high | 91.5 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 37% | 0.37 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | V11 L12 G17 I18 I19 L210 | V11-V15 HydrophobicContact CG1-CG2 4.35Å; V11-V15 WeakPolarHBondContact O-CG2 3.3Å; V11-V15 PolarHBondContact O-N 3.36Å; L12-V15 PolarHBondContact O-N 3.2Å; V15-G17 VanDerWaalsContact C-N 3.32Å; V15-G17 PolarHBondContact O-N 2.98Å; V15-I18 PolarHBondContact O-N 3.49Å; V15-I19 HydrophobicContact CG1-CD1 4.02Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 2.67Å; V15-L210 HydrophobicContact CG1-CD1 4.01Å |
| 16 | G | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L12 V14 I18 I19 I20 | L12-G16 PolarHBondContact O-N 2.46Å; V14-G16 PolarHBondContact O-N 2.83Å; G16-I18 PolarHBondContact O-N 3.36Å; G16-I19 PolarHBondContact O-N 3.34Å; G16-I20 WeakPolarHBondContact O-CG1 3.45Å; G16-I20 PolarHBondContact O-N 3.11Å |
| 17 | G | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | C13 V14 V15 I20 Q21 | C13-G17 PolarHBondContact O-N 2.77Å; V14-G17 PolarHBondContact O-N 3.32Å; V15-G17 VanDerWaalsContact C-N 3.32Å; V15-G17 PolarHBondContact O-N 2.98Å; G17-I20 PolarHBondContact O-N 3.38Å; G17-Q21 VanDerWaalsContact O-CB 3.24Å; G17-Q21 WeakPolarHBondContact O-CB 3.4Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.98Å |
| 18 | I | 96.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 23.5 Ų | 23.5 | 27% | 0.272 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.3 | -68.1 | 165.1 | 0 | 0 | 0 | 110.8 | V14 V15 G16 Q21 C22 L146 I147 | V14-I18 HydrophobicContact CG1-CD1 3.87Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.33Å; V14-I18 PolarHBondContact O-N 3.19Å; V15-I18 PolarHBondContact O-N 3.49Å; G16-I18 PolarHBondContact O-N 3.36Å; I18-Q21 PolarHBondContact O-N 3.24Å; I18-C22 WeakPolarHBondContact O-CB 3.26Å; I18-C22 PolarHBondContact O-N 3.48Å; I18-L146 HydrophobicContact CD1-CB 4.41Å; I18-I147 HydrophobicContact CG1-CG1 4.5Å |
| 19 | I | 97.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 16.5 Ų | 16.5 | 23% | 0.226 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 179.2 | -70.4 | 169.4 | 0 | 0 | 0 | 110.6 | V15 G16 Q21 C22 T23 I203 L210 | V15-I19 HydrophobicContact CG1-CD1 4.02Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 2.67Å; G16-I19 PolarHBondContact O-N 3.34Å; I19-Q21 PolarHBondContact O-N 3.24Å; I19-C22 WeakPolarHBondContact O-CB 3.39Å; I19-C22 PolarHBondContact O-N 2.95Å; I19-T23 PolarHBondContact O-N 2.92Å; I19-I203 HydrophobicContact CG2-CG2 3.57Å; I19-I203 WeakPolarHBondContact CG2-O 3.28Å; I19-L210 HydrophobicContact CD1-CD1 3.81Å |
| 20 | I | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 176.6 | -69.1 | -56.5 | 0 | 0 | 0 | 110.7 | G16 G17 C22 T23 Y24 V84 T128 Q204 M211 | G16-I20 WeakPolarHBondContact O-CG1 3.45Å; G16-I20 PolarHBondContact O-N 3.11Å; G17-I20 PolarHBondContact O-N 3.38Å; I20-C22 VanDerWaalsContact C-N 3.27Å; I20-C22 PolarHBondContact O-N 3.23Å; I20-T23 WeakPolarHBondContact O-CB 3.41Å; I20-T23 PolarHBondContact O-N 3.34Å; I20-T23 PolarHBondContact O-OG1 3.34Å; I20-Y24 HydrophobicContact CG2-CD2 4.09Å; I20-Y24 HydrophobicContact CG2-CE1 3.92Å; I20-Y24 HydrophobicContact CG2-CE2 3.33Å; I20-Y24 WeakPolarHBondContact CG2-OH 3.44Å; I20-Y24 PolarHBondContact O-N 2.88Å; I20-Y24 VanDerWaalsContact O-N 3.13Å; I20-V84 HydrophobicContact CD1-CG1 3.68Å; I20-V84 HydrophobicContact CG1-CG1 4.1Å; I20-T128 HydrophobicContact CB-CG2 4.5Å; I20-T128 HydrophobicContact CG2-CG2 3.9Å; I20-Q204 HydrophobicContact CD1-CB 4.21Å; I20-Q204 HydrophobicContact CD1-CG 4.37Å; I20-Q204 WeakPolarHBondContact CD1-O 3.1Å; I20-M211 HydrophobicContact CG1-SD 3.99Å |
| 21 | Q | 97 | Very high | 96 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | 178.6 | -74.3 | -77.2 | 3.1 | 0 | 0 | 112.2 | G17 I18 I19 T23 Y24 G25 Y125 T128 I147 F151 | G17-Q21 VanDerWaalsContact O-CB 3.24Å; G17-Q21 WeakPolarHBondContact O-CB 3.4Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.98Å; I18-Q21 PolarHBondContact O-N 3.24Å; I19-Q21 PolarHBondContact O-N 3.24Å; Q21-T23 VanDerWaalsContact C-N 3.27Å; Q21-T23 PolarHBondContact O-N 3.36Å; Q21-Y24 WeakPolarHBondContact O-CB 3.45Å; Q21-Y24 PolarHBondContact O-N 3.03Å; Q21-Y24 VanDerWaalsContact O-N 3.12Å; Q21-G25 PolarHBondContact O-N 2.87Å; Q21-Y125 PolarHBondContact NE2-O 3.33Å; Q21-T128 PolarHBondContact NE2-OG1 3.33Å; Q21-I147 VanDerWaalsContact CB-O 3.25Å; Q21-I147 WeakPolarHBondContact CB-O 3.39Å; Q21-I147 HydrophobicContact CG-CG2 3.68Å; Q21-F151 HydrophobicContact CB-CB 4.34Å; Q21-F151 WeakPolarHBondContact O-CA 3.25Å; Q21-F151 PolarHBondContact O-N 3.27Å |
| 22 | C | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 9% | 0.088 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.4 | -40.5 | 173.1 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | I18 I19 I20 G25 G150 G154 | I18-C22 WeakPolarHBondContact O-CB 3.26Å; I18-C22 PolarHBondContact O-N 3.48Å; I19-C22 WeakPolarHBondContact O-CB 3.39Å; I19-C22 PolarHBondContact O-N 2.95Å; I20-C22 VanDerWaalsContact C-N 3.27Å; I20-C22 PolarHBondContact O-N 3.23Å; C22-G25 WeakPolarHBondContact O-CA 3.49Å; C22-G25 PolarHBondContact O-N 3.36Å; C22-G150 WeakPolarHBondContact CA-O 3.43Å; C22-G154 VanDerWaalsContact O-CA 3.31Å; C22-G154 WeakPolarHBondContact O-CA 3.24Å |
| 23 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 174.9 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | I19 I20 Q21 G25 Y26 H91 L200 I203 Q204 | I19-T23 PolarHBondContact O-N 2.92Å; I20-T23 WeakPolarHBondContact O-CB 3.41Å; I20-T23 PolarHBondContact O-N 3.34Å; I20-T23 PolarHBondContact O-OG1 3.34Å; Q21-T23 VanDerWaalsContact C-N 3.27Å; Q21-T23 PolarHBondContact O-N 3.36Å; T23-G25 PolarHBondContact O-N 3.27Å; T23-Y26 WeakPolarHBondContact O-CB 3.17Å; T23-Y26 PolarHBondContact O-N 3.32Å; T23-Y26 VanDerWaalsContact O-N 3.1Å; T23-H91 PolarHBondContact O-CE1 2.8Å; T23-H91 VanDerWaalsContact O-CE1 3.28Å; T23-L200 HydrophobicContact CG2-CD2 4.2Å; T23-L200 WeakPolarHBondContact O-CD2 3.38Å; T23-I203 HydrophobicContact CG2-CB 3.7Å; T23-I203 HydrophobicContact CG2-CG2 3.33Å; T23-Q204 HydrophobicContact CG2-CG 3.84Å; T23-Q204 WeakPolarHBondContact OG1-CG 3.43Å; T23-Q204 PolarHBondContact OG1-NE2 3.45Å |
| 24 | Y | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | 173.8 | -60.7 | -19.6 | 0 | 0 | 0 | 111.8 | I20 Q21 Y26 F27 S87 F121 G124 Y125 | I20-Y24 HydrophobicContact CG2-CD2 4.09Å; I20-Y24 HydrophobicContact CG2-CE1 3.92Å; I20-Y24 HydrophobicContact CG2-CE2 3.33Å; I20-Y24 WeakPolarHBondContact CG2-OH 3.44Å; I20-Y24 PolarHBondContact O-N 2.88Å; I20-Y24 VanDerWaalsContact O-N 3.13Å; Q21-Y24 WeakPolarHBondContact O-CB 3.45Å; Q21-Y24 PolarHBondContact O-N 3.03Å; Q21-Y24 VanDerWaalsContact O-N 3.12Å; Y24-Y26 PolarHBondContact O-N 3.22Å; Y24-F27 WeakPolarHBondContact O-CB 3.3Å; Y24-F27 PolarHBondContact O-N 2.85Å; Y24-F27 VanDerWaalsContact O-N 3.13Å; Y24-S87 WeakPolarHBondContact OH-CB 3.47Å; Y24-S87 PolarHBondContact OH-OG 3.24Å; Y24-F121 HydrophobicContact CD1-CB 3.43Å; Y24-F121 VanDerWaalsContact CD1-CB 3.43Å; Y24-F121 HydrophobicContact CD2-CB 4.44Å; Y24-F121 HydrophobicContact CE1-CB 4.14Å; Y24-F121 HydrophobicContact CG-CB 3.62Å; Y24-G124 WeakPolarHBondContact OH-CA 3.34Å; Y24-Y125 HydrophobicContact CD2-CD2 4.43Å |
| 25 | G | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -58.9 | -12.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q21 C22 T23 F27 Y28 F151 | Q21-G25 PolarHBondContact O-N 2.87Å; C22-G25 WeakPolarHBondContact O-CA 3.49Å; C22-G25 PolarHBondContact O-N 3.36Å; T23-G25 PolarHBondContact O-N 3.27Å; G25-F27 PolarHBondContact O-N 3.12Å; G25-F27 VanDerWaalsContact O-N 3.11Å; G25-Y28 PolarHBondContact O-N 2.94Å; G25-F151 WeakPolarHBondContact CA-O 3.11Å |
| 26 | Y | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | G | 310 helix | trans | -49.5 | -32.8 | 167.7 | 171.2 | -95.9 | 0 | 0 | 0 | 112.3 | T23 Y24 Y28 T29 I95 Y113 F158 Q162 I196 L200 | T23-Y26 WeakPolarHBondContact O-CB 3.17Å; T23-Y26 PolarHBondContact O-N 3.32Å; T23-Y26 VanDerWaalsContact O-N 3.1Å; Y24-Y26 PolarHBondContact O-N 3.22Å; Y26-Y28 PolarHBondContact O-N 3.06Å; Y26-Y28 VanDerWaalsContact O-N 3.08Å; Y26-T29 HydrophobicContact CD2-CG2 4.31Å; Y26-T29 WeakPolarHBondContact CD2-OG1 3.48Å; Y26-T29 WeakPolarHBondContact CE2-OG1 3.33Å; Y26-T29 WeakPolarHBondContact O-CA 3.28Å; Y26-T29 VanDerWaalsContact O-CB 3.29Å; Y26-T29 WeakPolarHBondContact O-CB 3.49Å; Y26-T29 WeakPolarHBondContact O-CG2 3.11Å; Y26-T29 PolarHBondContact O-N 2.82Å; Y26-T29 PolarHBondContact O-OG1 3.02Å; Y26-I95 HydrophobicContact CD1-CD1 3.42Å; Y26-I95 VanDerWaalsContact CD1-CD1 3.42Å; Y26-I95 HydrophobicContact CD1-CG1 4.39Å; Y26-I95 HydrophobicContact CE1-CD1 3.48Å; Y26-I95 VanDerWaalsContact CE1-CD1 3.48Å; Y26-I95 HydrophobicContact CE1-CG1 4.02Å; Y26-I95 HydrophobicContact CG-CD1 4.24Å; Y26-Y113 AromaticContact CE1-CE2 3.63Å; Y26-Y113 HydrophobicContact CE1-CE2 3.63Å; Y26-Y113 AromaticContact CE1-CZ 3.93Å; Y26-Y113 WeakPolarHBondContact CE1-OH 3.32Å; Y26-Y113 AromaticContact CZ-CE2 3.96Å; Y26-Y113 WeakPolarHBondContact OH-CE2 3.41Å; Y26-Y113 PolarHBondContact OH-OH 3.44Å; Y26-F158 HydrophobicContact CD2-CB 3.82Å; Y26-F158 HydrophobicContact CD2-CD1 4.31Å; Y26-F158 AromaticContact CD2-CD2 3.99Å; Y26-F158 HydrophobicContact CD2-CD2 3.99Å; Y26-F158 AromaticContact CD2-CG 3.78Å; Y26-F158 HydrophobicContact CD2-CG 3.78Å; Y26-F158 HydrophobicContact CE2-CB 4.36Å; Y26-F158 HydrophobicContact CG-CD2 4.46Å; Y26-Q162 PolarHBondContact OH-NE2 2.92Å; Y26-I196 HydrophobicContact CD2-CG2 3.67Å; Y26-I196 HydrophobicContact CE1-CG2 4.41Å; Y26-I196 HydrophobicContact CE2-CB 4.28Å; Y26-I196 HydrophobicContact CE2-CD1 4.42Å; Y26-I196 HydrophobicContact CE2-CG1 4.23Å; Y26-I196 HydrophobicContact CE2-CG2 3.19Å; Y26-I196 HydrophobicContact CG-CG2 4.44Å; Y26-L200 HydrophobicContact CD1-CD1 4.31Å; Y26-L200 HydrophobicContact CD2-CD1 4.34Å; Y26-L200 HydrophobicContact CG-CD1 4.04Å; Y26-L200 HydrophobicContact CG-CD2 4.44Å |
| 27 | F | 97.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 6 Ų | 6 | 0% | 0.004 | 3% | 0.031 | C | C | . | . | G | 310 helix | trans | -43.4 | -41.8 | 172.7 | 161.3 | -97.9 | 0 | 0 | 0 | 113.3 | Y24 G25 T29 I30 T57 A60 L61 F121 F151 | Y24-F27 WeakPolarHBondContact O-CB 3.3Å; Y24-F27 PolarHBondContact O-N 2.85Å; Y24-F27 VanDerWaalsContact O-N 3.13Å; G25-F27 PolarHBondContact O-N 3.12Å; G25-F27 VanDerWaalsContact O-N 3.11Å; F27-T29 PolarHBondContact O-N 3.11Å; F27-T29 VanDerWaalsContact O-N 3.11Å; F27-I30 HydrophobicContact CD2-CD1 3.69Å; F27-I30 HydrophobicContact CE2-CD1 3.92Å; F27-I30 WeakPolarHBondContact O-CB 3.33Å; F27-I30 WeakPolarHBondContact O-CD1 3.43Å; F27-I30 WeakPolarHBondContact O-CG1 3.47Å; F27-I30 PolarHBondContact O-N 3.13Å; F27-T57 HydrophobicContact CE2-CG2 3.82Å; F27-T57 HydrophobicContact CZ-CG2 3.54Å; F27-A60 HydrophobicContact CD2-CB 3.99Å; F27-A60 HydrophobicContact CE2-CB 3.96Å; F27-L61 HydrophobicContact CE1-CD2 3.85Å; F27-L61 HydrophobicContact CE1-CG 4.34Å; F27-L61 HydrophobicContact CE2-CD2 3.95Å; F27-L61 HydrophobicContact CE2-CG 3.8Å; F27-L61 HydrophobicContact CZ-CD1 3.9Å; F27-L61 HydrophobicContact CZ-CD2 3.41Å; F27-L61 VanDerWaalsContact CZ-CD2 3.41Å; F27-L61 HydrophobicContact CZ-CG 3.44Å; F27-L61 VanDerWaalsContact CZ-CG 3.44Å; F27-F121 HydrophobicContact CB-CE1 4.11Å; F27-F121 HydrophobicContact CB-CZ 4.03Å; F27-F121 HydrophobicContact CD2-CE1 4.22Å; F27-F121 AromaticContact CD2-CZ 3.78Å; F27-F121 HydrophobicContact CD2-CZ 3.78Å; F27-F121 HydrophobicContact CG-CE1 4.49Å; F27-F121 HydrophobicContact CG-CZ 4.03Å; F27-F151 HydrophobicContact CB-CZ 4.09Å; F27-F151 AromaticContact CD1-CE1 3.96Å; F27-F151 HydrophobicContact CD1-CE1 3.96Å; F27-F151 AromaticContact CD1-CZ 3.95Å; F27-F151 HydrophobicContact CD1-CZ 3.95Å; F27-F151 HydrophobicContact CG-CZ 4.3Å |
| 28 | Y | 97 | Very high | 97.7 | Very high | 11 Ų | 11 | 6.1 Ų | 6.1 | 4% | 0.043 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -69.1 | -10.4 | -179.3 | -79.8 | -56.6 | 0 | 0 | 0 | 114.2 | G25 Y26 I30 F151 P155 L265 A269 R301 L361 | G25-Y28 PolarHBondContact O-N 2.94Å; Y26-Y28 PolarHBondContact O-N 3.06Å; Y26-Y28 VanDerWaalsContact O-N 3.08Å; Y28-I30 VanDerWaalsContact C-N 3.25Å; Y28-I30 PolarHBondContact O-N 3.44Å; Y28-F151 AromaticContact CD2-CD1 3.86Å; Y28-F151 HydrophobicContact CD2-CD1 3.86Å; Y28-F151 AromaticContact CD2-CE1 3.68Å; Y28-F151 HydrophobicContact CD2-CE1 3.68Å; Y28-F151 AromaticContact CE2-CD1 3.48Å; Y28-F151 HydrophobicContact CE2-CD1 3.48Å; Y28-F151 VanDerWaalsContact CE2-CD1 3.48Å; Y28-F151 AromaticContact CE2-CE1 3.35Å; Y28-F151 HydrophobicContact CE2-CE1 3.35Å; Y28-P155 HydrophobicContact CG-CG 4.46Å; Y28-L265 HydrophobicContact CE1-CD1 3.76Å; Y28-A269 HydrophobicContact CD1-CB 4.12Å; Y28-A269 HydrophobicContact CE1-CB 4.26Å; Y28-R301 PolarHBondContact OH-NH2 3.28Å; Y28-L361 WeakPolarHBondContact OH-CD1 3.29Å |
| 29 | T | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.019 | C | C | . | . | G | 310 helix | trans | -78.9 | -6.7 | 172.4 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | Y26 F27 G31 N32 M33 P155 F158 T159 Q162 | Y26-T29 HydrophobicContact CD2-CG2 4.31Å; Y26-T29 WeakPolarHBondContact CD2-OG1 3.48Å; Y26-T29 WeakPolarHBondContact CE2-OG1 3.33Å; Y26-T29 WeakPolarHBondContact O-CA 3.28Å; Y26-T29 VanDerWaalsContact O-CB 3.29Å; Y26-T29 WeakPolarHBondContact O-CB 3.49Å; Y26-T29 WeakPolarHBondContact O-CG2 3.11Å; Y26-T29 PolarHBondContact O-N 2.82Å; Y26-T29 PolarHBondContact O-OG1 3.02Å; F27-T29 PolarHBondContact O-N 3.11Å; F27-T29 VanDerWaalsContact O-N 3.11Å; T29-G31 PolarHBondContact O-N 2.91Å; T29-N32 WeakPolarHBondContact O-CA 3.28Å; T29-N32 WeakPolarHBondContact O-CB 3.28Å; T29-N32 PolarHBondContact O-N 2.89Å; T29-M33 PolarHBondContact O-N 3.13Å; T29-P155 HydrophobicContact CG2-CB 4.09Å; T29-P155 HydrophobicContact CG2-CG 4.25Å; T29-F158 HydrophobicContact CG2-CB 3.73Å; T29-T159 WeakPolarHBondContact CG2-OG1 3.03Å; T29-Q162 PolarHBondContact OG1-NE2 3.41Å |
| 30 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -53.5 | -40.1 | 173.4 | -67.9 | 169.8 | 0 | 0 | 0 | 110.3 | F27 Y28 N32 M33 A34 L56 T57 A60 Y113 T270 | F27-I30 HydrophobicContact CD2-CD1 3.69Å; F27-I30 HydrophobicContact CE2-CD1 3.92Å; F27-I30 WeakPolarHBondContact O-CB 3.33Å; F27-I30 WeakPolarHBondContact O-CD1 3.43Å; F27-I30 WeakPolarHBondContact O-CG1 3.47Å; F27-I30 PolarHBondContact O-N 3.13Å; Y28-I30 VanDerWaalsContact C-N 3.25Å; Y28-I30 PolarHBondContact O-N 3.44Å; I30-N32 VanDerWaalsContact C-N 3.28Å; I30-N32 PolarHBondContact O-N 3.5Å; I30-M33 CarbonylContact O-C 3.48Å; I30-M33 PolarHBondContact O-N 3.12Å; I30-M33 VanDerWaalsContact O-N 3.13Å; I30-A34 WeakPolarHBondContact O-CB 3.28Å; I30-A34 PolarHBondContact O-N 3.43Å; I30-L56 HydrophobicContact CG2-CB 4.07Å; I30-T57 VanDerWaalsContact CG2-OG1 3.27Å; I30-T57 WeakPolarHBondContact CG2-OG1 3.34Å; I30-A60 HydrophobicContact CD1-CB 4.47Å; I30-Y113 HydrophobicContact CD1-CE1 4.45Å; I30-Y113 HydrophobicContact CG1-CE1 3.75Å; I30-T270 HydrophobicContact CG2-CG2 4.43Å |
| 31 | G | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -65.3 | -28.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T29 A269 T270 K273 | T29-G31 PolarHBondContact O-N 2.91Å; G31-A269 WeakPolarHBondContact CA-O 3.47Å; G31-A269 PolarHBondContact N-O 3.18Å; G31-T270 WeakPolarHBondContact CA-O 3.49Å; G31-K273 VanDerWaalsContact O-CB 3.28Å; G31-K273 WeakPolarHBondContact O-CB 2.88Å |
| 32 | N | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.011 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -73.7 | -38.3 | 171.2 | -173.7 | 59.6 | 0 | 0 | 0 | 112.2 | T29 I30 P35 Y36 T159 Q162 T163 K273 | T29-N32 WeakPolarHBondContact O-CA 3.28Å; T29-N32 WeakPolarHBondContact O-CB 3.28Å; T29-N32 PolarHBondContact O-N 2.89Å; I30-N32 VanDerWaalsContact C-N 3.28Å; I30-N32 PolarHBondContact O-N 3.5Å; N32-P35 WeakPolarHBondContact O-CD 3.3Å; N32-Y36 WeakPolarHBondContact O-CD2 3.47Å; N32-Y36 WeakPolarHBondContact O-CE2 3.1Å; N32-T159 HydrophobicContact CB-CG2 4.11Å; N32-Q162 PolarHBondContact ND2-OE1 3.36Å; N32-T163 PolarHBondContact ND2-OG1 2.96Å; N32-K273 PolarHBondContact O-NZ 3.24Å; N32-K273 PolarHBondContact OD1-NZ 3.35Å |
| 33 | M | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -77.6 | -27.8 | -178.7 | -73.2 | -58.7 | -58.8 | 0 | 0 | 113.9 | T29 I30 Y36 I37 Q162 I166 V189 V192 F193 | T29-M33 PolarHBondContact O-N 3.13Å; I30-M33 CarbonylContact O-C 3.48Å; I30-M33 PolarHBondContact O-N 3.12Å; I30-M33 VanDerWaalsContact O-N 3.13Å; M33-Y36 PolarHBondContact O-N 3.35Å; M33-Y36 HydrophobicContact SD-CD2 4.15Å; M33-I37 HydrophobicContact CB-CD1 3.92Å; M33-I37 HydrophobicContact CB-CG1 4.5Å; M33-I37 HydrophobicContact CE-CG1 4.35Å; M33-I37 WeakPolarHBondContact O-CG1 2.86Å; M33-I37 PolarHBondContact O-N 3.22Å; M33-Q162 HydrophobicContact SD-CB 4.13Å; M33-Q162 VanDerWaalsContact SD-CD 3.58Å; M33-Q162 HydrophobicContact SD-CG 3.82Å; M33-I166 HydrophobicContact CE-CD1 3.95Å; M33-I166 HydrophobicContact SD-CD1 3.77Å; M33-V189 HydrophobicContact CE-CG1 4.34Å; M33-V192 HydrophobicContact CE-CG1 3.66Å; M33-V192 HydrophobicContact SD-CG1 4.29Å; M33-F193 HydrophobicContact CE-CE1 4.23Å; M33-F193 HydrophobicContact CE-CE2 4.17Å; M33-F193 HydrophobicContact CE-CZ 3.72Å |
| 34 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -48.4 | -52.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | I30 Y36 I37 L38 I53 T270 | I30-A34 WeakPolarHBondContact O-CB 3.28Å; I30-A34 PolarHBondContact O-N 3.43Å; A34-Y36 PolarHBondContact O-N 3.46Å; A34-I37 PolarHBondContact O-N 2.87Å; A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.37Å; A34-I53 HydrophobicContact CB-CG1 3.75Å; A34-I53 HydrophobicContact CB-CG2 4.24Å; A34-T270 HydrophobicContact CB-CG2 4.23Å |
| 35 | P | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 177.9 | 24.5 | -34.7 | 0 | 0 | 0 | 112.7 | N32 I37 L38 D39 F180 K273 L274 K277 | N32-P35 WeakPolarHBondContact O-CD 3.3Å; P35-I37 PolarHBondContact O-N 3.41Å; P35-L38 PolarHBondContact O-N 3.5Å; P35-D39 VanDerWaalsContact O-CB 3.32Å; P35-D39 WeakPolarHBondContact O-CB 3.15Å; P35-D39 PolarHBondContact O-N 2.95Å; P35-F180 HydrophobicContact CB-CE2 4.35Å; P35-K273 HydrophobicContact CG-CD 3.77Å; P35-K273 HydrophobicContact CG-CG 4.09Å; P35-L274 HydrophobicContact CB-CD1 4.38Å; P35-K277 HydrophobicContact CB-CD 4.29Å |
| 36 | Y | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.6 | -57.6 | -50.1 | 0 | 0 | 0 | 112.3 | N32 M33 A34 Y40 I166 N167 F180 L185 K273 D283 | N32-Y36 WeakPolarHBondContact O-CD2 3.47Å; N32-Y36 WeakPolarHBondContact O-CE2 3.1Å; M33-Y36 PolarHBondContact O-N 3.35Å; M33-Y36 HydrophobicContact SD-CD2 4.15Å; A34-Y36 PolarHBondContact O-N 3.46Å; Y36-Y40 WeakPolarHBondContact O-CB 3.46Å; Y36-Y40 PolarHBondContact O-N 2.95Å; Y36-I166 HydrophobicContact CD1-CG2 3.78Å; Y36-I166 HydrophobicContact CD2-CD1 3.54Å; Y36-I166 HydrophobicContact CD2-CG2 4.29Å; Y36-I166 HydrophobicContact CE1-CG2 3.89Å; Y36-I166 HydrophobicContact CE2-CB 4.49Å; Y36-I166 HydrophobicContact CE2-CD1 3.87Å; Y36-I166 HydrophobicContact CE2-CG2 4.38Å; Y36-I166 HydrophobicContact CG-CD1 4.08Å; Y36-I166 HydrophobicContact CG-CG2 3.99Å; Y36-N167 HydrophobicContact CE1-CB 4.47Å; Y36-F180 AromaticContact CD1-CD2 3.99Å; Y36-F180 HydrophobicContact CD1-CD2 3.99Å; Y36-F180 AromaticContact CD1-CE2 3.84Å; Y36-F180 HydrophobicContact CD1-CE2 3.84Å; Y36-F180 HydrophobicContact CE1-CD2 4.21Å; Y36-F180 AromaticContact CE1-CE2 3.69Å; Y36-F180 HydrophobicContact CE1-CE2 3.69Å; Y36-F180 HydrophobicContact CE1-CZ 4.02Å; Y36-L185 HydrophobicContact CD1-CD2 4.14Å; Y36-K273 PolarHBondContact OH-NZ 3.33Å; Y36-D283 VanDerWaalsContact OH-CG 3.25Å; Y36-D283 PolarHBondContact OH-OD1 3.32Å; Y36-D283 PolarHBondContact OH-OD2 3.47Å |
| 37 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -45.8 | 178.3 | -67.6 | 167.6 | 0 | 0 | 0 | 110.6 | M33 A34 P35 D39 Y40 F41 I53 L56 L102 L109 Y113 F193 | M33-I37 HydrophobicContact CB-CD1 3.92Å; M33-I37 HydrophobicContact CB-CG1 4.5Å; M33-I37 HydrophobicContact CE-CG1 4.35Å; M33-I37 WeakPolarHBondContact O-CG1 2.86Å; M33-I37 PolarHBondContact O-N 3.22Å; A34-I37 PolarHBondContact O-N 2.87Å; P35-I37 PolarHBondContact O-N 3.41Å; I37-D39 VanDerWaalsContact C-N 3.35Å; I37-D39 PolarHBondContact O-N 3.42Å; I37-Y40 PolarHBondContact O-N 3.37Å; I37-F41 HydrophobicContact CG2-CD2 3.81Å; I37-F41 HydrophobicContact CG2-CE2 3.42Å; I37-F41 VanDerWaalsContact CG2-CE2 3.42Å; I37-F41 HydrophobicContact CG2-CZ 4.39Å; I37-F41 WeakPolarHBondContact O-CD2 3.46Å; I37-F41 PolarHBondContact O-N 3.05Å; I37-F41 VanDerWaalsContact O-N 3.09Å; I37-I53 HydrophobicContact CB-CD1 4.04Å; I37-I53 HydrophobicContact CG2-CD1 3.65Å; I37-L56 HydrophobicContact CD1-CD1 3.9Å; I37-L102 HydrophobicContact CG2-CD1 4.1Å; I37-L109 HydrophobicContact CD1-CD2 4.41Å; I37-L109 HydrophobicContact CG2-CD2 3.66Å; I37-Y113 HydrophobicContact CD1-CE1 4.22Å; I37-F193 HydrophobicContact CD1-CZ 4.09Å; I37-F193 HydrophobicContact CG1-CZ 4.3Å |
| 38 | L | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 177.5 | -80 | 173.2 | 0 | 0 | 0 | 111.7 | A34 P35 F41 Q42 I48 D50 I53 L274 | A34-L38 WeakPolarHBondContact O-CB 3.4Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.37Å; P35-L38 PolarHBondContact O-N 3.5Å; L38-F41 PolarHBondContact O-N 3.39Å; L38-Q42 PolarHBondContact O-N 3.14Å; L38-I48 HydrophobicContact CD2-CD1 3.85Å; L38-I48 HydrophobicContact CD2-CG1 3.65Å; L38-D50 HydrophobicContact CD1-CB 4.18Å; L38-I53 HydrophobicContact CD1-CB 4.12Å; L38-I53 HydrophobicContact CD1-CG1 4.38Å; L38-I53 HydrophobicContact CD1-CG2 4.03Å; L38-I53 HydrophobicContact CD2-CB 4.13Å; L38-I53 HydrophobicContact CD2-CD1 4.37Å; L38-I53 HydrophobicContact CG-CB 4.06Å; L38-I53 HydrophobicContact CG-CD1 4.12Å; L38-I53 HydrophobicContact CG-CG1 4.07Å; L38-L274 HydrophobicContact CD1-CD1 3.87Å; L38-L274 HydrophobicContact CD1-CD2 3.92Å |
| 39 | D | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.2 | -32.3 | -176.7 | -63.9 | -10.5 | 0 | 0 | 0 | 111 | P35 I37 F41 Q42 Y43 R179 F180 I186 K277 | P35-D39 VanDerWaalsContact O-CB 3.32Å; P35-D39 WeakPolarHBondContact O-CB 3.15Å; P35-D39 PolarHBondContact O-N 2.95Å; I37-D39 VanDerWaalsContact C-N 3.35Å; I37-D39 PolarHBondContact O-N 3.42Å; D39-F41 PolarHBondContact O-N 3.39Å; D39-Q42 PolarHBondContact O-N 2.88Å; D39-Y43 WeakPolarHBondContact O-CB 3.47Å; D39-Y43 PolarHBondContact O-N 3.33Å; D39-R179 WeakPolarHBondContact OD1-CD 3.32Å; D39-R179 WeakPolarHBondContact OD1-CG 3.25Å; D39-R179 IonicContact OD1-CZ 3.75Å; D39-R179 IonicContact OD1-NE 2.66Å; D39-R179 IonicContact OD1-NH1 3.64Å; D39-R179 PolarHBondContact OD1-NH1 3.17Å; D39-R179 WeakPolarHBondContact OD2-CA 3.4Å; D39-F180 HydrophobicContact CB-CB 4.28Å; D39-F180 VanDerWaalsContact OD2-CD2 3.26Å; D39-F180 WeakPolarHBondContact OD2-CD2 3.41Å; D39-F180 PolarHBondContact OD2-N 3.02Å; D39-I186 HydrophobicContact CB-CD1 3.97Å; D39-K277 IonicContact OD1-NZ 2.72Å; D39-K277 IonicContact OD2-NZ 2.7Å |
| 40 | Y | 98.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 169.6 | 178.1 | -87.9 | 0 | 0 | 0 | 112.2 | Y36 I37 Y43 H44 L102 I186 V189 P190 | Y36-Y40 WeakPolarHBondContact O-CB 3.46Å; Y36-Y40 PolarHBondContact O-N 2.95Å; I37-Y40 PolarHBondContact O-N 3.37Å; Y40-Y43 PolarHBondContact O-N 2.95Å; Y40-H44 AromaticContact CD2-CE1 3.82Å; Y40-H44 AromaticContact CD2-ND1 3.91Å; Y40-H44 AromaticContact CE1-ND1 3.95Å; Y40-H44 AromaticContact CE2-CE1 3.28Å; Y40-H44 WeakPolarHBondContact CE2-CE1 3.18Å; Y40-H44 AromaticContact CE2-ND1 3.65Å; Y40-H44 AromaticContact CZ-CE1 3.56Å; Y40-H44 AromaticContact CZ-ND1 3.65Å; Y40-H44 PolarHBondContact O-N 3.05Å; Y40-H44 PolarHBondContact O-ND1 2.77Å; Y40-L102 HydrophobicContact CD1-CD1 3.79Å; Y40-L102 HydrophobicContact CD1-CD2 3.91Å; Y40-L102 HydrophobicContact CD1-CG 3.72Å; Y40-L102 HydrophobicContact CD2-CD2 4.36Å; Y40-L102 HydrophobicContact CE1-CD1 4.21Å; Y40-L102 HydrophobicContact CE1-CD2 4.04Å; Y40-L102 HydrophobicContact CE1-CG 3.69Å; Y40-L102 HydrophobicContact CE2-CD2 4.5Å; Y40-L102 HydrophobicContact CG-CD2 4.1Å; Y40-L102 HydrophobicContact CG-CG 4.41Å; Y40-I186 HydrophobicContact CD2-CG2 3.68Å; Y40-I186 WeakPolarHBondContact CD2-O 3.28Å; Y40-I186 HydrophobicContact CE2-CG2 4.35Å; Y40-I186 HydrophobicContact CG-CG2 4.41Å; Y40-V189 HydrophobicContact CD2-CB 4.1Å; Y40-P190 HydrophobicContact CD2-CG 4.23Å; Y40-P190 HydrophobicContact CE2-CG 3.51Å |
| 41 | F | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.4 | -78.6 | -47.4 | 0 | 0 | 0 | 112.2 | I37 L38 D39 H44 N45 K46 S47 I48 L102 G105 F106 L109 | I37-F41 HydrophobicContact CG2-CD2 3.81Å; I37-F41 HydrophobicContact CG2-CE2 3.42Å; I37-F41 VanDerWaalsContact CG2-CE2 3.42Å; I37-F41 HydrophobicContact CG2-CZ 4.39Å; I37-F41 WeakPolarHBondContact O-CD2 3.46Å; I37-F41 PolarHBondContact O-N 3.05Å; I37-F41 VanDerWaalsContact O-N 3.09Å; L38-F41 PolarHBondContact O-N 3.39Å; D39-F41 PolarHBondContact O-N 3.39Å; F41-H44 PolarHBondContact O-N 3.02Å; F41-N45 PolarHBondContact O-N 3.39Å; F41-K46 WeakPolarHBondContact CB-O 3.11Å; F41-K46 HydrophobicContact CD1-CB 4.07Å; F41-K46 CarbonylContact O-C 3.35Å; F41-K46 WeakPolarHBondContact O-CA 3.46Å; F41-K46 PolarHBondContact O-N 3.15Å; F41-S47 PolarHBondContact O-N 3.07Å; F41-I48 HydrophobicContact CD2-CD1 4.08Å; F41-I48 HydrophobicContact CE2-CD1 4.43Å; F41-L102 HydrophobicContact CE1-CD1 3.99Å; F41-L102 VanDerWaalsContact CE1-O 3.29Å; F41-L102 WeakPolarHBondContact CE1-O 3.37Å; F41-L102 HydrophobicContact CE2-CD1 4Å; F41-L102 HydrophobicContact CZ-CD1 3.57Å; F41-G105 VanDerWaalsContact CE1-C 3.5Å; F41-F106 HydrophobicContact CE2-CB 4.08Å; F41-F106 AromaticContact CE2-CD2 3.77Å; F41-F106 HydrophobicContact CE2-CD2 3.77Å; F41-F106 HydrophobicContact CE2-CG 4.43Å; F41-F106 HydrophobicContact CZ-CB 4.05Å; F41-F106 HydrophobicContact CZ-CD2 4.34Å; F41-L109 HydrophobicContact CE2-CD2 3.95Å; F41-L109 HydrophobicContact CZ-CB 4.49Å; F41-L109 HydrophobicContact CZ-CD2 3.93Å |
| 42 | Q | 96.3 | Very high | 96 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.8 | 174.5 | 156.6 | -28.5 | 0 | 0 | 112 | L38 D39 H44 N45 | L38-Q42 PolarHBondContact O-N 3.14Å; D39-Q42 PolarHBondContact O-N 2.88Å; Q42-H44 PolarHBondContact O-N 3.19Å; Q42-N45 PolarHBondContact O-N 2.9Å |
| 43 | Y | 96.7 | Very high | 95.9 | Very high | 105 Ų | 105 | 42.2 Ų | 42.2 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.3 | -33.6 | 179.8 | -173.6 | -86.7 | 0 | 0 | 0 | 112.5 | D39 Y40 A183 I186 | D39-Y43 WeakPolarHBondContact O-CB 3.47Å; D39-Y43 PolarHBondContact O-N 3.33Å; Y40-Y43 PolarHBondContact O-N 2.95Å; Y43-A183 HydrophobicContact CE2-CB 4.43Å; Y43-A183 WeakPolarHBondContact OH-CB 3.22Å; Y43-I186 HydrophobicContact CD1-CG2 3.9Å; Y43-I186 HydrophobicContact CD2-CG1 4.42Å; Y43-I186 HydrophobicContact CG-CB 4.5Å; Y43-I186 HydrophobicContact CG-CG1 4.44Å; Y43-I186 HydrophobicContact CG-CG2 3.89Å |
| 44 | H | 96.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 19.1 | 178.9 | -67.8 | 84.5 | 0 | 0 | 0 | 114.1 | Y40 F41 Q42 K46 | Y40-H44 AromaticContact CD2-CE1 3.82Å; Y40-H44 AromaticContact CD2-ND1 3.91Å; Y40-H44 AromaticContact CE1-ND1 3.95Å; Y40-H44 AromaticContact CE2-CE1 3.28Å; Y40-H44 WeakPolarHBondContact CE2-CE1 3.18Å; Y40-H44 AromaticContact CE2-ND1 3.65Å; Y40-H44 AromaticContact CZ-CE1 3.56Å; Y40-H44 AromaticContact CZ-ND1 3.65Å; Y40-H44 PolarHBondContact O-N 3.05Å; Y40-H44 PolarHBondContact O-ND1 2.77Å; F41-H44 PolarHBondContact O-N 3.02Å; Q42-H44 PolarHBondContact O-N 3.19Å; H44-K46 PolarHBondContact O-N 3.49Å |
| 45 | N | 94.9 | Very high | 95.8 | Very high | 154 Ų | 154 | 45.2 Ų | 45.2 | 82% | 0.824 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.7 | -179.4 | -61.7 | -41.8 | 0 | 0 | 0 | 113.9 | F41 Q42 | F41-N45 PolarHBondContact O-N 3.39Å; Q42-N45 PolarHBondContact O-N 2.9Å |
| 46 | K | 94.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | trans | -118.8 | 34.5 | 175.8 | -65.6 | -176.5 | -178.3 | -171 | 0 | 110.9 | F41 H44 R103 L104 | F41-K46 WeakPolarHBondContact CB-O 3.11Å; F41-K46 HydrophobicContact CD1-CB 4.07Å; F41-K46 CarbonylContact O-C 3.35Å; F41-K46 WeakPolarHBondContact O-CA 3.46Å; F41-K46 PolarHBondContact O-N 3.15Å; H44-K46 PolarHBondContact O-N 3.49Å; K46-R103 PolarHBondContact NZ-O 3.43Å; K46-L104 PolarHBondContact NZ-O 2.86Å | ||
| 47 | S | 91.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | trans | -55.3 | 143.3 | -174.6 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | F41 | F41-S47 PolarHBondContact O-N 3.07Š| ||
| 48 | I | 93.4 | Very high | 95.8 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.205 | 22% | 0.215 | C | C | . | . | trans | -125.1 | 158.8 | 175 | 60.1 | 176.9 | 0 | 0 | 0 | 108 | L38 F41 D50 F106 | L38-I48 HydrophobicContact CD2-CD1 3.85Å; L38-I48 HydrophobicContact CD2-CG1 3.65Å; F41-I48 HydrophobicContact CD2-CD1 4.08Å; F41-I48 HydrophobicContact CE2-CD1 4.43Å; I48-D50 PolarHBondContact O-N 3.03Å; I48-F106 HydrophobicContact CD1-CB 4.21Å; I48-F106 HydrophobicContact CD1-CD1 4.17Å; I48-F106 HydrophobicContact CD1-CD2 3.43Å; I48-F106 VanDerWaalsContact CD1-CD2 3.43Å; I48-F106 HydrophobicContact CD1-CE1 4.45Å; I48-F106 HydrophobicContact CD1-CE2 3.76Å; I48-F106 HydrophobicContact CD1-CG 3.67Å; I48-F106 HydrophobicContact CD1-CZ 4.27Å; I48-F106 HydrophobicContact CG2-CB 3.94Å; I48-F106 HydrophobicContact CG2-CG 4.29Å | ||
| 49 | Y | 91.6 | Very high | 95.8 | Very high | 177 Ų | 177 | 46 Ų | 46 | 69% | 0.694 | 22% | 0.22 | S | C | * | . | trans | -58.8 | 133.4 | 169.1 | -69.2 | -75.3 | 0 | 0 | 0 | 109.7 | N51 S52 | Y49-N51 VanDerWaalsContact C-N 3.3Å; Y49-N51 PolarHBondContact O-N 3.28Å; Y49-S52 WeakPolarHBondContact O-CA 3.46Å; Y49-S52 WeakPolarHBondContact O-CB 3.26Å; Y49-S52 PolarHBondContact O-N 2.95Å; Y49-S52 PolarHBondContact O-OG 2.85Å | ||
| 50 | D | 91.9 | Very high | 95.8 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -55.3 | -44.1 | -173.3 | -76.2 | -5.9 | 0 | 0 | 0 | 112.8 | L38 I48 S52 I53 R179 L274 | L38-D50 HydrophobicContact CD1-CB 4.18Å; I48-D50 PolarHBondContact O-N 3.03Å; D50-S52 PolarHBondContact O-N 3.41Å; D50-S52 VanDerWaalsContact O-N 3.11Å; D50-I53 WeakPolarHBondContact O-CB 3.38Å; D50-I53 WeakPolarHBondContact O-CG2 3.42Å; D50-I53 PolarHBondContact O-N 2.65Å; D50-R179 IonicContact OD1-CZ 2.88Å; D50-R179 IonicContact OD1-NH1 3.81Å; D50-R179 IonicContact OD1-NH2 3.48Å; D50-R179 PolarHBondContact OD1-NH2 3.48Å; D50-R179 IonicContact OD2-NH2 3.69Å; D50-R179 PolarHBondContact OD2-NH2 3.37Å; D50-L274 HydrophobicContact CB-CD2 4.31Å |
| 51 | N | 92.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -63.2 | -18 | 177.2 | -72.9 | -5 | 0 | 0 | 0 | 113.7 | Y49 I53 M54 S399 I400 F405 | Y49-N51 VanDerWaalsContact C-N 3.3Å; Y49-N51 PolarHBondContact O-N 3.28Å; N51-I53 PolarHBondContact O-N 2.99Å; N51-I53 VanDerWaalsContact O-N 3.17Å; N51-M54 WeakPolarHBondContact O-CB 3.48Å; N51-M54 WeakPolarHBondContact O-CG 3.34Å; N51-M54 PolarHBondContact O-N 3.44Å; N51-M54 VanDerWaalsContact O-N 3.13Å; N51-S399 WeakPolarHBondContact CB-O 3.33Å; N51-S399 PolarHBondContact ND2-O 2.83Å; N51-I400 HydrophobicContact CB-CG1 4.35Å; N51-F405 PolarHBondContact ND2-O 3.36Å |
| 52 | S | 94.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.5 | -26.3 | 172.4 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | Y49 D50 M54 W55 F106 | Y49-S52 WeakPolarHBondContact O-CA 3.46Å; Y49-S52 WeakPolarHBondContact O-CB 3.26Å; Y49-S52 PolarHBondContact O-N 2.95Å; Y49-S52 PolarHBondContact O-OG 2.85Å; D50-S52 PolarHBondContact O-N 3.41Å; D50-S52 VanDerWaalsContact O-N 3.11Å; S52-M54 PolarHBondContact O-N 2.81Å; S52-M54 VanDerWaalsContact O-N 3.13Å; S52-W55 WeakPolarHBondContact O-CB 3.41Å; S52-W55 PolarHBondContact O-N 3.3Å; S52-F106 WeakPolarHBondContact O-CZ 3.4Å |
| 53 | I | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.5 | 178.9 | -156.4 | 65.3 | 0 | 0 | 0 | 112.7 | A34 I37 L38 D50 N51 W55 L56 F106 T270 L271 | A34-I53 HydrophobicContact CB-CG1 3.75Å; A34-I53 HydrophobicContact CB-CG2 4.24Å; I37-I53 HydrophobicContact CB-CD1 4.04Å; I37-I53 HydrophobicContact CG2-CD1 3.65Å; L38-I53 HydrophobicContact CD1-CB 4.12Å; L38-I53 HydrophobicContact CD1-CG1 4.38Å; L38-I53 HydrophobicContact CD1-CG2 4.03Å; L38-I53 HydrophobicContact CD2-CB 4.13Å; L38-I53 HydrophobicContact CD2-CD1 4.37Å; L38-I53 HydrophobicContact CG-CB 4.06Å; L38-I53 HydrophobicContact CG-CD1 4.12Å; L38-I53 HydrophobicContact CG-CG1 4.07Å; D50-I53 WeakPolarHBondContact O-CB 3.38Å; D50-I53 WeakPolarHBondContact O-CG2 3.42Å; D50-I53 PolarHBondContact O-N 2.65Å; N51-I53 PolarHBondContact O-N 2.99Å; N51-I53 VanDerWaalsContact O-N 3.17Å; I53-W55 PolarHBondContact O-N 3Å; I53-L56 HydrophobicContact CD1-CD1 3.47Å; I53-L56 VanDerWaalsContact CD1-CD1 3.47Å; I53-L56 HydrophobicContact CD1-CG 4.29Å; I53-L56 HydrophobicContact CG1-CD1 4.07Å; I53-L56 WeakPolarHBondContact O-CB 3.49Å; I53-L56 PolarHBondContact O-N 2.89Å; I53-L56 VanDerWaalsContact O-N 3.13Å; I53-F106 HydrophobicContact CD1-CE2 4.19Å; I53-T270 HydrophobicContact CB-CG2 4.49Å; I53-T270 HydrophobicContact CG2-CG2 3.63Å; I53-L271 HydrophobicContact CG2-CD2 4.33Å |
| 54 | M | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -21.2 | 174.5 | -63.1 | -178.8 | 62.6 | 0 | 0 | 113.6 | N51 S52 L56 T57 S58 T266 T270 L271 V395 S396 L411 | N51-M54 WeakPolarHBondContact O-CB 3.48Å; N51-M54 WeakPolarHBondContact O-CG 3.34Å; N51-M54 PolarHBondContact O-N 3.44Å; N51-M54 VanDerWaalsContact O-N 3.13Å; S52-M54 PolarHBondContact O-N 2.81Å; S52-M54 VanDerWaalsContact O-N 3.13Å; M54-L56 PolarHBondContact O-N 2.94Å; M54-T57 PolarHBondContact O-N 3.34Å; M54-S58 WeakPolarHBondContact O-CB 3.49Å; M54-S58 PolarHBondContact O-N 3.11Å; M54-S58 PolarHBondContact O-OG 2.81Å; M54-T266 HydrophobicContact CE-CG2 4.11Å; M54-T270 HydrophobicContact CG-CG2 4.18Å; M54-L271 HydrophobicContact CE-CD1 4.24Å; M54-L271 HydrophobicContact CG-CD1 4.07Å; M54-L271 HydrophobicContact CG-CD2 3.76Å; M54-L271 HydrophobicContact CG-CG 3.9Å; M54-L271 HydrophobicContact SD-CD1 3.48Å; M54-L271 WeakPolarHBondContact SD-CD1 3.35Å; M54-L271 HydrophobicContact SD-CD2 4.22Å; M54-L271 HydrophobicContact SD-CG 4.01Å; M54-V395 HydrophobicContact CE-CB 4.48Å; M54-V395 HydrophobicContact CE-CG1 3.84Å; M54-V395 HydrophobicContact CE-CG2 3.96Å; M54-S396 VanDerWaalsContact CB-OG 3.22Å; M54-S396 WeakPolarHBondContact CB-OG 3.24Å; M54-S396 PolarHBondContact O-OG 3.33Å; M54-L411 HydrophobicContact SD-CD2 4.29Å |
| 55 | W | 97.8 | Very high | 95.7 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -30 | 174.3 | -77 | 84.1 | 0 | 0 | 0 | 112.1 | S52 I53 T57 S58 V59 F106 L110 L393 S396 L397 | S52-W55 WeakPolarHBondContact O-CB 3.41Å; S52-W55 PolarHBondContact O-N 3.3Å; I53-W55 PolarHBondContact O-N 3Å; W55-T57 PolarHBondContact O-N 3.05Å; W55-S58 PolarHBondContact O-N 3.01Å; W55-V59 HydrophobicContact CE3-CG2 3.84Å; W55-V59 HydrophobicContact CZ3-CG2 4.48Å; W55-V59 VanDerWaalsContact O-CB 3.23Å; W55-V59 WeakPolarHBondContact O-CB 3.28Å; W55-V59 VanDerWaalsContact O-CG2 3.28Å; W55-V59 WeakPolarHBondContact O-CG2 3.39Å; W55-V59 PolarHBondContact O-N 3.09Å; W55-F106 HydrophobicContact CB-CE1 4.41Å; W55-F106 HydrophobicContact CB-CZ 4.17Å; W55-L110 HydrophobicContact CB-CD1 3.96Å; W55-L110 HydrophobicContact CB-CD2 4.33Å; W55-L110 WeakPolarHBondContact O-CD1 3.45Å; W55-L393 HydrophobicContact CE3-CD2 4.02Å; W55-L393 HydrophobicContact CH2-CD2 4.06Å; W55-L393 HydrophobicContact CZ3-CD2 3.41Å; W55-L393 VanDerWaalsContact CZ3-CD2 3.41Å; W55-S396 PolarHBondContact NE1-O 3.07Å; W55-L397 HydrophobicContact CZ2-CB 4.22Å; W55-L397 HydrophobicContact CZ2-CD1 4.28Å |
| 56 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 174.7 | -64.1 | 178.6 | 0 | 0 | 0 | 110.9 | I30 I37 I53 M54 A60 F106 L109 L110 Y113 | I30-L56 HydrophobicContact CG2-CB 4.07Å; I37-L56 HydrophobicContact CD1-CD1 3.9Å; I53-L56 HydrophobicContact CD1-CD1 3.47Å; I53-L56 VanDerWaalsContact CD1-CD1 3.47Å; I53-L56 HydrophobicContact CD1-CG 4.29Å; I53-L56 HydrophobicContact CG1-CD1 4.07Å; I53-L56 WeakPolarHBondContact O-CB 3.49Å; I53-L56 PolarHBondContact O-N 2.89Å; I53-L56 VanDerWaalsContact O-N 3.13Å; M54-L56 PolarHBondContact O-N 2.94Å; L56-A60 WeakPolarHBondContact O-CB 3.38Å; L56-A60 PolarHBondContact O-N 3.03Å; L56-A60 VanDerWaalsContact O-N 3.1Å; L56-F106 HydrophobicContact CD1-CE2 4.49Å; L56-F106 HydrophobicContact CD2-CE2 4.03Å; L56-F106 HydrophobicContact CD2-CZ 4.48Å; L56-F106 HydrophobicContact CG-CE2 4.05Å; L56-F106 HydrophobicContact CG-CZ 4.44Å; L56-L109 HydrophobicContact CD2-CD2 4.31Å; L56-L109 HydrophobicContact CD2-CG 4.26Å; L56-L110 HydrophobicContact CD2-CD1 3.95Å; L56-Y113 HydrophobicContact CB-CD1 4.5Å; L56-Y113 HydrophobicContact CD1-CD1 3.98Å; L56-Y113 HydrophobicContact CD1-CE1 4.29Å; L56-Y113 HydrophobicContact CD2-CD1 4.09Å; L56-Y113 HydrophobicContact CG-CD1 4.42Å |
| 57 | T | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | F27 I30 M54 W55 A60 L61 T266 A269 T270 | F27-T57 HydrophobicContact CE2-CG2 3.82Å; F27-T57 HydrophobicContact CZ-CG2 3.54Å; I30-T57 VanDerWaalsContact CG2-OG1 3.27Å; I30-T57 WeakPolarHBondContact CG2-OG1 3.34Å; M54-T57 PolarHBondContact O-N 3.34Å; W55-T57 PolarHBondContact O-N 3.05Å; T57-A60 PolarHBondContact O-N 2.96Å; T57-L61 HydrophobicContact CG2-CD1 4.17Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 2.84Å; T57-T266 HydrophobicContact CG2-CG2 3.99Å; T57-A269 HydrophobicContact CG2-CB 3.94Å; T57-T270 WeakPolarHBondContact CB-OG1 3.39Å; T57-T270 PolarHBondContact OG1-OG1 3.46Å |
| 58 | S | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | -175.9 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | M54 W55 G62 T266 G392 S396 | M54-S58 WeakPolarHBondContact O-CB 3.49Å; M54-S58 PolarHBondContact O-N 3.11Å; M54-S58 PolarHBondContact O-OG 2.81Å; W55-S58 PolarHBondContact O-N 3.01Å; S58-G62 PolarHBondContact O-N 3.48Å; S58-T266 WeakPolarHBondContact OG-CG2 3.36Å; S58-G392 PolarHBondContact OG-O 2.69Å; S58-S396 PolarHBondContact OG-OG 3.42Å |
| 59 | V | 98.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 12% | 0.121 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | 177 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | W55 G62 M63 L110 I115 L393 | W55-V59 HydrophobicContact CE3-CG2 3.84Å; W55-V59 HydrophobicContact CZ3-CG2 4.48Å; W55-V59 VanDerWaalsContact O-CB 3.23Å; W55-V59 WeakPolarHBondContact O-CB 3.28Å; W55-V59 VanDerWaalsContact O-CG2 3.28Å; W55-V59 WeakPolarHBondContact O-CG2 3.39Å; W55-V59 PolarHBondContact O-N 3.09Å; V59-G62 PolarHBondContact O-N 2.93Å; V59-M63 HydrophobicContact CG1-CG 4.23Å; V59-M63 WeakPolarHBondContact O-CB 3.4Å; V59-M63 VanDerWaalsContact O-CG 3.3Å; V59-M63 WeakPolarHBondContact O-CG 3.48Å; V59-M63 PolarHBondContact O-N 3.45Å; V59-L110 HydrophobicContact CB-CD1 3.98Å; V59-L110 HydrophobicContact CG1-CD1 4.44Å; V59-L110 HydrophobicContact CG2-CD1 3.91Å; V59-L110 HydrophobicContact CG2-CD2 4.36Å; V59-L110 HydrophobicContact CG2-CG 4.33Å; V59-I115 HydrophobicContact CG1-CB 4.33Å; V59-I115 HydrophobicContact CG1-CD1 4.4Å; V59-I115 HydrophobicContact CG1-CG1 3.34Å; V59-L393 HydrophobicContact CG2-CD2 4.46Å |
| 60 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F27 I30 L56 T57 G62 M63 E64 G114 G118 F121 | F27-A60 HydrophobicContact CD2-CB 3.99Å; F27-A60 HydrophobicContact CE2-CB 3.96Å; I30-A60 HydrophobicContact CD1-CB 4.47Å; L56-A60 WeakPolarHBondContact O-CB 3.38Å; L56-A60 PolarHBondContact O-N 3.03Å; L56-A60 VanDerWaalsContact O-N 3.1Å; T57-A60 PolarHBondContact O-N 2.96Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 3.36Å; A60-M63 PolarHBondContact O-N 3Å; A60-E64 WeakPolarHBondContact O-CB 3.43Å; A60-E64 PolarHBondContact O-N 3.29Å; A60-G114 WeakPolarHBondContact CA-O 3.47Å; A60-G118 VanDerWaalsContact O-CA 3.28Å; A60-G118 WeakPolarHBondContact O-CA 3.36Å; A60-F121 HydrophobicContact CB-CE1 4.34Å; A60-F121 HydrophobicContact CB-CZ 4.25Å |
| 61 | L | 96 | Very high | 96.5 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 174.8 | -73.5 | 177.7 | 0 | 0 | 0 | 112.3 | F27 T57 E64 A65 L265 | F27-L61 HydrophobicContact CE1-CD2 3.85Å; F27-L61 HydrophobicContact CE1-CG 4.34Å; F27-L61 HydrophobicContact CE2-CD2 3.95Å; F27-L61 HydrophobicContact CE2-CG 3.8Å; F27-L61 HydrophobicContact CZ-CD1 3.9Å; F27-L61 HydrophobicContact CZ-CD2 3.41Å; F27-L61 VanDerWaalsContact CZ-CD2 3.41Å; F27-L61 HydrophobicContact CZ-CG 3.44Å; F27-L61 VanDerWaalsContact CZ-CG 3.44Å; T57-L61 HydrophobicContact CG2-CD1 4.17Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.38Å; T57-L61 PolarHBondContact O-N 2.84Å; L61-E64 VanDerWaalsContact CD2-OE2 3.25Å; L61-E64 WeakPolarHBondContact CD2-OE2 3.49Å; L61-E64 WeakPolarHBondContact O-CB 3.16Å; L61-E64 PolarHBondContact O-N 3.06Å; L61-A65 WeakPolarHBondContact O-CB 3.37Å; L61-A65 PolarHBondContact O-N 2.58Å; L61-L265 HydrophobicContact CD1-CD2 3.9Å; L61-L265 HydrophobicContact CD1-CG 4.17Å; L61-L265 HydrophobicContact CD2-CD2 4.43Å |
| 62 | G | 96.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S58 V59 A60 A65 L66 V389 | S58-G62 PolarHBondContact O-N 3.48Å; V59-G62 PolarHBondContact O-N 2.93Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 3.36Å; G62-A65 PolarHBondContact O-N 3.15Å; G62-L66 WeakPolarHBondContact O-CG 3.38Å; G62-L66 PolarHBondContact O-N 3.39Å; G62-L66 VanDerWaalsContact O-N 3.09Å; G62-V389 WeakPolarHBondContact O-CG2 3.22Å |
| 63 | M | 97.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 17.2 Ų | 17.2 | 21% | 0.212 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.3 | -31.2 | 177 | -66.6 | -48.1 | -57 | 0 | 0 | 112.7 | V59 A60 A65 L66 A67 I115 F119 | V59-M63 HydrophobicContact CG1-CG 4.23Å; V59-M63 WeakPolarHBondContact O-CB 3.4Å; V59-M63 VanDerWaalsContact O-CG 3.3Å; V59-M63 WeakPolarHBondContact O-CG 3.48Å; V59-M63 PolarHBondContact O-N 3.45Å; A60-M63 PolarHBondContact O-N 3Å; M63-A65 VanDerWaalsContact C-N 3.34Å; M63-L66 HydrophobicContact CE-CD1 4.42Å; M63-L66 HydrophobicContact SD-CD1 4.02Å; M63-A67 WeakPolarHBondContact O-CB 3.48Å; M63-A67 PolarHBondContact O-N 3.14Å; M63-I115 HydrophobicContact CE-CG2 4.13Å; M63-I115 HydrophobicContact CG-CB 4.17Å; M63-I115 HydrophobicContact CG-CG1 4.31Å; M63-I115 HydrophobicContact CG-CG2 3.94Å; M63-I115 HydrophobicContact SD-CG2 4.23Å; M63-F119 HydrophobicContact CB-CB 4.32Å; M63-F119 HydrophobicContact CE-CB 4.41Å; M63-F119 HydrophobicContact CE-CD2 3.85Å |
| 64 | E | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.6 | -53.6 | 169.9 | 178.3 | -170.2 | -174.1 | 0 | 0 | 109.9 | A60 L61 L66 A67 M68 G118 F121 F385 | A60-E64 WeakPolarHBondContact O-CB 3.43Å; A60-E64 PolarHBondContact O-N 3.29Å; L61-E64 VanDerWaalsContact CD2-OE2 3.25Å; L61-E64 WeakPolarHBondContact CD2-OE2 3.49Å; L61-E64 WeakPolarHBondContact O-CB 3.16Å; L61-E64 PolarHBondContact O-N 3.06Å; E64-L66 PolarHBondContact O-N 3.26Å; E64-A67 PolarHBondContact O-N 3.48Å; E64-A67 VanDerWaalsContact O-N 3.15Å; E64-M68 HydrophobicContact CG-CG 4.45Å; E64-M68 HydrophobicContact CG-SD 4.18Å; E64-M68 WeakPolarHBondContact O-CG 3.48Å; E64-M68 PolarHBondContact O-N 2.98Å; E64-G118 VanDerWaalsContact CA-O 3.32Å; E64-G118 WeakPolarHBondContact CA-O 3.43Å; E64-G118 PolarHBondContact N-O 3.32Å; E64-F121 HydrophobicContact CB-CD2 4.17Å; E64-F121 HydrophobicContact CB-CE2 3.52Å; E64-F121 HydrophobicContact CB-CZ 4.08Å; E64-F121 HydrophobicContact CG-CD2 3.84Å; E64-F121 HydrophobicContact CG-CE2 3.49Å; E64-F121 VanDerWaalsContact CG-CE2 3.49Å; E64-F121 HydrophobicContact CG-CZ 4.5Å; E64-F121 WeakPolarHBondContact OE2-CE2 3.4Å; E64-F385 HydrophobicContact CB-CE1 4.5Å; E64-F385 VanDerWaalsContact CD-CE1 3.41Å; E64-F385 HydrophobicContact CG-CE1 3.95Å; E64-F385 WeakPolarHBondContact OE1-CZ 3.26Å; E64-F385 WeakPolarHBondContact OE2-CE1 3.36Å |
| 65 | A | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L61 G62 M63 A67 M68 P69 F385 N386 V389 | L61-A65 WeakPolarHBondContact O-CB 3.37Å; L61-A65 PolarHBondContact O-N 2.58Å; G62-A65 PolarHBondContact O-N 3.15Å; M63-A65 VanDerWaalsContact C-N 3.34Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A65-A67 PolarHBondContact O-N 3.44Å; A65-M68 PolarHBondContact O-N 2.9Å; A65-P69 WeakPolarHBondContact O-CD 3.35Å; A65-F385 HydrophobicContact CB-CD1 3.63Å; A65-F385 HydrophobicContact CB-CE1 4.29Å; A65-N386 WeakPolarHBondContact CB-OD1 3.1Å; A65-N386 PolarHBondContact O-OD1 3.35Å; A65-V389 HydrophobicContact CB-CG2 3.7Å |
| 66 | L | 96.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 22.7 Ų | 22.7 | 42% | 0.424 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 176.7 | -67.3 | 175.2 | 0 | 0 | 0 | 112.5 | G62 M63 E64 I70 N386 V389 | G62-L66 WeakPolarHBondContact O-CG 3.38Å; G62-L66 PolarHBondContact O-N 3.39Å; G62-L66 VanDerWaalsContact O-N 3.09Å; M63-L66 HydrophobicContact CE-CD1 4.42Å; M63-L66 HydrophobicContact SD-CD1 4.02Å; E64-L66 PolarHBondContact O-N 3.26Å; L66-I70 WeakPolarHBondContact O-CD1 3.33Å; L66-N386 PolarHBondContact N-OD1 2.98Å; L66-V389 HydrophobicContact CG-CG2 4.3Å |
| 67 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -76.5 | -29.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M63 E64 A65 I70 G71 F119 F123 | M63-A67 WeakPolarHBondContact O-CB 3.48Å; M63-A67 PolarHBondContact O-N 3.14Å; E64-A67 PolarHBondContact O-N 3.48Å; E64-A67 VanDerWaalsContact O-N 3.15Å; A65-A67 VanDerWaalsContact C-N 3.32Å; A65-A67 PolarHBondContact O-N 3.44Å; A67-I70 WeakPolarHBondContact O-CB 3.48Å; A67-I70 PolarHBondContact O-N 3.06Å; A67-I70 VanDerWaalsContact O-N 3.08Å; A67-G71 PolarHBondContact O-N 3.34Å; A67-F119 HydrophobicContact CB-CB 4.47Å; A67-F119 HydrophobicContact CB-CD1 4.38Å; A67-F119 HydrophobicContact CB-CD2 3.69Å; A67-F119 HydrophobicContact CB-CE2 3.92Å; A67-F119 HydrophobicContact CB-CG 3.94Å; A67-F119 HydrophobicContact CB-CZ 4.37Å; A67-F119 WeakPolarHBondContact CB-O 3.2Å; A67-F123 HydrophobicContact CB-CB 4.32Å |
| 68 | M | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -48.2 | -176.4 | -82.8 | 172 | 67.4 | 0 | 0 | 114.3 | E64 A65 I70 G72 G122 Y125 S126 Y381 F385 | E64-M68 HydrophobicContact CG-CG 4.45Å; E64-M68 HydrophobicContact CG-SD 4.18Å; E64-M68 WeakPolarHBondContact O-CG 3.48Å; E64-M68 PolarHBondContact O-N 2.98Å; A65-M68 PolarHBondContact O-N 2.9Å; M68-I70 VanDerWaalsContact C-N 3.3Å; M68-I70 PolarHBondContact O-N 2.98Å; M68-G72 PolarHBondContact O-N 3.32Å; M68-G122 WeakPolarHBondContact CA-O 3.44Å; M68-G122 WeakPolarHBondContact CG-O 3.34Å; M68-Y125 HydrophobicContact CE-CD1 3.82Å; M68-Y125 HydrophobicContact CE-CE1 4.19Å; M68-Y125 HydrophobicContact CG-CD1 4.33Å; M68-Y125 HydrophobicContact SD-CD1 3.87Å; M68-Y125 HydrophobicContact SD-CE1 4.45Å; M68-S126 PolarHBondContact O-OG 3.01Å; M68-Y381 HydrophobicContact CE-CD1 3.39Å; M68-Y381 HydrophobicContact CE-CE1 3.36Å; M68-Y381 HydrophobicContact CE-CG 4.08Å; M68-F385 HydrophobicContact CE-CB 3.83Å; M68-F385 HydrophobicContact CE-CD1 4.39Å; M68-F385 HydrophobicContact CE-CD2 4.15Å; M68-F385 HydrophobicContact CE-CG 3.88Å; M68-F385 HydrophobicContact SD-CB 3.93Å; M68-F385 HydrophobicContact SD-CD1 3.49Å; M68-F385 WeakPolarHBondContact SD-CD1 3.43Å; M68-F385 HydrophobicContact SD-CD2 4.17Å; M68-F385 HydrophobicContact SD-CE1 3.97Å; M68-F385 HydrophobicContact SD-CG 3.6Å; M68-F385 VanDerWaalsContact SD-CG 3.6Å; M68-F385 HydrophobicContact SD-CZ 4.47Å |
| 69 | P | 94 | Very high | 94.9 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 173.7 | -26.4 | 35 | 0 | 0 | 0 | 113.4 | A65 A73 V379 | A65-P69 WeakPolarHBondContact O-CD 3.35Å; P69-A73 VanDerWaalsContact O-CB 3.3Å; P69-A73 WeakPolarHBondContact O-CB 3.44Å; P69-A73 PolarHBondContact O-N 3.09Å; P69-V379 HydrophobicContact CB-CG1 4.28Å |
| 70 | I | 96 | Very high | 94.7 | Very high | 87 Ų | 87 | 36 Ų | 36 | 45% | 0.446 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.1 | -50.8 | -178.1 | -55.7 | 174.4 | 0 | 0 | 0 | 109.5 | L66 A67 M68 G72 A73 L74 F119 F123 | L66-I70 WeakPolarHBondContact O-CD1 3.33Å; A67-I70 WeakPolarHBondContact O-CB 3.48Å; A67-I70 PolarHBondContact O-N 3.06Å; A67-I70 VanDerWaalsContact O-N 3.08Å; M68-I70 VanDerWaalsContact C-N 3.3Å; M68-I70 PolarHBondContact O-N 2.98Å; I70-G72 PolarHBondContact O-N 3.38Å; I70-A73 PolarHBondContact O-N 2.91Å; I70-L74 PolarHBondContact O-N 3.43Å; I70-F119 HydrophobicContact CD1-CE2 4.14Å; I70-F119 HydrophobicContact CD1-CZ 4.41Å; I70-F123 HydrophobicContact CB-CE2 4.39Å; I70-F123 HydrophobicContact CG2-CD2 4.4Å; I70-F123 HydrophobicContact CG2-CE2 3.77Å |
| 71 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A67 A73 L74 Y75 F123 | A67-G71 PolarHBondContact O-N 3.34Å; G71-A73 VanDerWaalsContact C-N 3.34Å; G71-A73 PolarHBondContact O-N 3.11Å; G71-L74 PolarHBondContact O-N 3.44Å; G71-Y75 WeakPolarHBondContact O-CB 3.44Å; G71-Y75 PolarHBondContact O-N 3.33Å; G71-F123 WeakPolarHBondContact CA-O 3.17Å |
| 72 | G | 92.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M68 I70 | M68-G72 PolarHBondContact O-N 3.32Å; I70-G72 PolarHBondContact O-N 3.38Å |
| 73 | A | 92.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 43 Ų | 43 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.9 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P69 I70 G71 Y75 R76 | P69-A73 VanDerWaalsContact O-CB 3.3Å; P69-A73 WeakPolarHBondContact O-CB 3.44Å; P69-A73 PolarHBondContact O-N 3.09Å; I70-A73 PolarHBondContact O-N 2.91Å; G71-A73 VanDerWaalsContact C-N 3.34Å; G71-A73 PolarHBondContact O-N 3.11Å; A73-Y75 VanDerWaalsContact C-N 3.35Å; A73-R76 PolarHBondContact O-N 3.16Å |
| 74 | L | 94.2 | Very high | 94.5 | Very high | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 177.7 | -166.4 | 64.2 | 0 | 0 | 0 | 111.9 | I70 G71 R76 K77 L78 V83 I86 F123 | I70-L74 PolarHBondContact O-N 3.43Å; G71-L74 PolarHBondContact O-N 3.44Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 3.1Å; L74-K77 PolarHBondContact O-N 2.92Å; L74-L78 HydrophobicContact CD1-CD1 3.5Å; L74-L78 HydrophobicContact CD1-CG 3.74Å; L74-L78 HydrophobicContact CD2-CD1 4.04Å; L74-L78 HydrophobicContact CG-CB 4.45Å; L74-L78 HydrophobicContact CG-CD1 3.82Å; L74-L78 HydrophobicContact CG-CG 4.1Å; L74-L78 PolarHBondContact O-N 3Å; L74-V83 HydrophobicContact CB-CG2 4.24Å; L74-V83 HydrophobicContact CG-CG2 4.38Å; L74-I86 HydrophobicContact CD2-CD1 3.7Å; L74-F123 HydrophobicContact CB-CZ 4.36Å; L74-F123 HydrophobicContact CD2-CE1 3.94Å; L74-F123 HydrophobicContact CD2-CZ 3.54Å |
| 75 | Y | 93.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -51.1 | -45 | 174.2 | 170.9 | -126.7 | 0 | 0 | 0 | 112.2 | G71 A73 K77 G79 I80 A127 A130 A131 D213 | G71-Y75 WeakPolarHBondContact O-CB 3.44Å; G71-Y75 PolarHBondContact O-N 3.33Å; A73-Y75 VanDerWaalsContact C-N 3.35Å; Y75-K77 PolarHBondContact O-N 3.1Å; Y75-G79 VanDerWaalsContact O-CA 3.3Å; Y75-G79 WeakPolarHBondContact O-CA 3.47Å; Y75-G79 PolarHBondContact O-N 3.44Å; Y75-I80 HydrophobicContact CD2-CB 4.13Å; Y75-I80 HydrophobicContact CD2-CD1 4.27Å; Y75-I80 HydrophobicContact CE2-CB 3.76Å; Y75-I80 HydrophobicContact CE2-CD1 4.38Å; Y75-A127 HydrophobicContact CG-CB 4.06Å; Y75-A130 HydrophobicContact CD1-CB 4.41Å; Y75-A130 HydrophobicContact CE1-CB 4.09Å; Y75-A131 HydrophobicContact CE2-CB 4.22Å; Y75-A131 WeakPolarHBondContact OH-CA 3.36Å; Y75-D213 VanDerWaalsContact CE2-OD1 3.22Å; Y75-D213 WeakPolarHBondContact CE2-OD1 3.39Å; Y75-D213 PolarHBondContact OH-OD1 3.47Å |
| 76 | R | 87.5 | Confident | 94.6 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -30.2 | 178.5 | -69 | -171 | -65.1 | -124.9 | -2.9 | 113.5 | A73 L74 K216 N376 | A73-R76 PolarHBondContact O-N 3.16Å; L74-R76 VanDerWaalsContact C-N 3.26Å; L74-R76 PolarHBondContact O-N 3.1Å; R76-K216 PolarHBondContact O-NZ 3.34Å; R76-N376 PolarHBondContact NH1-OD1 3.22Å |
| 77 | K | 91.2 | Very high | 94.7 | Very high | 177 Ų | 177 | 43.5 Ų | 43.5 | 77% | 0.77 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -88.2 | -47.9 | -176.4 | -67.2 | -174.5 | 175.9 | -175.5 | 0 | 112.5 | L74 Y75 | L74-K77 PolarHBondContact O-N 2.92Å; Y75-K77 PolarHBondContact O-N 3.1Å |
| 78 | L | 93.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 43.8 Ų | 43.8 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -109.6 | -7.1 | -169.8 | -58.3 | -172.8 | 0 | 0 | 0 | 114.4 | L74 A82 | L74-L78 HydrophobicContact CD1-CD1 3.5Å; L74-L78 HydrophobicContact CD1-CG 3.74Å; L74-L78 HydrophobicContact CD2-CD1 4.04Å; L74-L78 HydrophobicContact CG-CB 4.45Å; L74-L78 HydrophobicContact CG-CD1 3.82Å; L74-L78 HydrophobicContact CG-CG 4.1Å; L74-L78 PolarHBondContact O-N 3Å; L78-A82 HydrophobicContact CB-CB 3.7Å; L78-A82 HydrophobicContact CD1-CB 4.3Å |
| 79 | G | 93.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 49 Ų | 49 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | 80.6 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y75 D213 | Y75-G79 VanDerWaalsContact O-CA 3.3Å; Y75-G79 WeakPolarHBondContact O-CA 3.47Å; Y75-G79 PolarHBondContact O-N 3.44Å; G79-D213 WeakPolarHBondContact CA-OD2 3.12Å |
| 80 | I | 93.9 | Very high | 95 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -37.5 | -169.6 | -170.3 | 54.5 | 0 | 0 | 0 | 112.6 | Y75 A82 V83 V84 A127 T128 A131 M211 D213 | Y75-I80 HydrophobicContact CD2-CB 4.13Å; Y75-I80 HydrophobicContact CD2-CD1 4.27Å; Y75-I80 HydrophobicContact CE2-CB 3.76Å; Y75-I80 HydrophobicContact CE2-CD1 4.38Å; I80-A82 PolarHBondContact O-N 2.8Å; I80-V83 PolarHBondContact O-N 3.29Å; I80-V84 HydrophobicContact CD1-CG2 3.94Å; I80-V84 HydrophobicContact CG1-CG2 4.02Å; I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 2.99Å; I80-A127 HydrophobicContact CD1-CB 4.03Å; I80-T128 HydrophobicContact CD1-CG2 4.12Å; I80-A131 HydrophobicContact CB-CB 4.17Å; I80-A131 HydrophobicContact CD1-CB 3.96Å; I80-A131 HydrophobicContact CG1-CB 3.87Å; I80-M211 HydrophobicContact CD1-CE 4.16Å; I80-M211 HydrophobicContact CG1-CE 3.66Å; I80-M211 HydrophobicContact CG1-SD 4.19Å; I80-D213 WeakPolarHBondContact CB-OD1 3.4Å; I80-D213 WeakPolarHBondContact CG2-OD1 3.19Å; I80-D213 PolarHBondContact N-OD1 3.09Å; I80-D213 PolarHBondContact N-OD2 2.92Å |
| 81 | R | 95.2 | Very high | 95.2 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -44.3 | -175 | -70.6 | -178 | 171.4 | -173.9 | -6.8 | 112.3 | V83 V84 I85 L208 M211 | R81-V83 VanDerWaalsContact C-N 3.33Å; R81-V83 PolarHBondContact O-N 3.31Å; R81-V84 PolarHBondContact O-N 2.89Å; R81-I85 WeakPolarHBondContact O-CD1 3.15Å; R81-I85 VanDerWaalsContact O-CG1 3.25Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.08Å; R81-L208 HydrophobicContact CB-CD1 4.04Å; R81-L208 HydrophobicContact CG-CD1 4.12Å; R81-M211 PolarHBondContact NE-O 2.98Å |
| 82 | A | 95.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L78 I80 I85 I86 | L78-A82 HydrophobicContact CB-CB 3.7Å; L78-A82 HydrophobicContact CD1-CB 4.3Å; I80-A82 PolarHBondContact O-N 2.8Å; A82-I85 PolarHBondContact O-N 3.39Å; A82-I86 WeakPolarHBondContact O-CD1 3.21Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.04Å |
| 83 | V | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | L74 I80 R81 I86 S87 F123 A127 | L74-V83 HydrophobicContact CB-CG2 4.24Å; L74-V83 HydrophobicContact CG-CG2 4.38Å; I80-V83 PolarHBondContact O-N 3.29Å; R81-V83 VanDerWaalsContact C-N 3.33Å; R81-V83 PolarHBondContact O-N 3.31Å; V83-I86 PolarHBondContact O-N 2.95Å; V83-S87 WeakPolarHBondContact O-CB 3.28Å; V83-S87 PolarHBondContact O-N 2.96Å; V83-S87 PolarHBondContact O-OG 3.41Å; V83-F123 HydrophobicContact CB-CE1 4.49Å; V83-F123 HydrophobicContact CG1-CD1 3.89Å; V83-F123 HydrophobicContact CG1-CE1 4.03Å; V83-F123 WeakPolarHBondContact CG1-O 3.3Å; V83-A127 HydrophobicContact CB-CB 4.49Å; V83-A127 HydrophobicContact CG1-CB 3.7Å |
| 84 | V | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I20 I80 R81 I86 S87 S88 T128 L208 M211 | I20-V84 HydrophobicContact CD1-CG1 3.68Å; I20-V84 HydrophobicContact CG1-CG1 4.1Å; I80-V84 HydrophobicContact CD1-CG2 3.94Å; I80-V84 HydrophobicContact CG1-CG2 4.02Å; I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 2.99Å; R81-V84 PolarHBondContact O-N 2.89Å; V84-I86 PolarHBondContact O-N 3.22Å; V84-S87 VanDerWaalsContact CA-OG 3.32Å; V84-S87 WeakPolarHBondContact CA-OG 3.19Å; V84-S87 PolarHBondContact O-N 2.98Å; V84-S87 PolarHBondContact O-OG 3.08Å; V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.28Å; V84-S88 PolarHBondContact O-N 3.06Å; V84-S88 PolarHBondContact O-OG 3.43Å; V84-T128 HydrophobicContact CG2-CG2 3.94Å; V84-L208 HydrophobicContact CB-CD1 3.91Å; V84-L208 HydrophobicContact CG1-CB 3.96Å; V84-L208 HydrophobicContact CG1-CD1 3.82Å; V84-L208 HydrophobicContact CG1-CG 4.43Å; V84-M211 HydrophobicContact CG2-SD 4Å |
| 85 | I | 97.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.3 | -51 | 175.6 | -70.5 | 163.9 | 0 | 0 | 0 | 110.9 | R81 A82 S87 S88 L89 L208 | R81-I85 WeakPolarHBondContact O-CD1 3.15Å; R81-I85 VanDerWaalsContact O-CG1 3.25Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.08Å; A82-I85 PolarHBondContact O-N 3.39Å; I85-S87 PolarHBondContact O-N 3.25Å; I85-S88 PolarHBondContact O-N 3.12Å; I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CG 3.01Å; I85-L89 PolarHBondContact O-N 3.31Å; I85-L208 HydrophobicContact CD1-CD2 4.09Å; I85-L208 HydrophobicContact CG1-CD1 4.01Å; I85-L208 HydrophobicContact CG1-CD2 3.44Å; I85-L208 VanDerWaalsContact CG1-CD2 3.44Å; I85-L208 HydrophobicContact CG1-CG 4.39Å |
| 86 | I | 98 | Very high | 96.4 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -48.6 | -179.9 | -66.5 | 165.3 | 0 | 0 | 0 | 110.3 | L74 A82 V83 V84 S88 L89 I90 F123 | L74-I86 HydrophobicContact CD2-CD1 3.7Å; A82-I86 WeakPolarHBondContact O-CD1 3.21Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.04Å; V83-I86 PolarHBondContact O-N 2.95Å; V84-I86 PolarHBondContact O-N 3.22Å; I86-S88 VanDerWaalsContact C-N 3.3Å; I86-S88 PolarHBondContact O-N 2.91Å; I86-L89 PolarHBondContact O-N 3.46Å; I86-I90 HydrophobicContact CG2-CD1 3.68Å; I86-I90 HydrophobicContact CG2-CG1 4.49Å; I86-I90 VanDerWaalsContact O-CG1 3.28Å; I86-I90 WeakPolarHBondContact O-CG1 3.21Å; I86-I90 PolarHBondContact O-N 3.31Å; I86-I90 VanDerWaalsContact O-N 3.08Å; I86-F123 HydrophobicContact CB-CD1 4.27Å; I86-F123 HydrophobicContact CB-CE1 3.87Å; I86-F123 HydrophobicContact CD1-CE1 4.23Å; I86-F123 HydrophobicContact CD1-CZ 4.49Å; I86-F123 HydrophobicContact CG2-CD1 3.94Å; I86-F123 HydrophobicContact CG2-CE1 3.59Å; I86-F123 HydrophobicContact CG2-CZ 3.96Å |
| 87 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -40.6 | 178.8 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | Y24 V83 V84 I85 H91 G120 | Y24-S87 WeakPolarHBondContact OH-CB 3.47Å; Y24-S87 PolarHBondContact OH-OG 3.24Å; V83-S87 WeakPolarHBondContact O-CB 3.28Å; V83-S87 PolarHBondContact O-N 2.96Å; V83-S87 PolarHBondContact O-OG 3.41Å; V84-S87 VanDerWaalsContact CA-OG 3.32Å; V84-S87 WeakPolarHBondContact CA-OG 3.19Å; V84-S87 PolarHBondContact O-N 2.98Å; V84-S87 PolarHBondContact O-OG 3.08Å; I85-S87 PolarHBondContact O-N 3.25Å; S87-H91 WeakPolarHBondContact O-CB 3.2Å; S87-H91 PolarHBondContact O-N 3.37Å; S87-G120 WeakPolarHBondContact CA-O 3.4Å; S87-G120 WeakPolarHBondContact CB-O 3.25Å |
| 88 | S | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | -176.1 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | V84 I85 I86 S92 Q204 | V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.28Å; V84-S88 PolarHBondContact O-N 3.06Å; V84-S88 PolarHBondContact O-OG 3.43Å; I85-S88 PolarHBondContact O-N 3.12Å; I86-S88 VanDerWaalsContact C-N 3.3Å; I86-S88 PolarHBondContact O-N 2.91Å; S88-S92 VanDerWaalsContact O-CB 3.29Å; S88-S92 WeakPolarHBondContact O-CB 3.29Å; S88-S92 PolarHBondContact O-N 2.74Å; S88-S92 PolarHBondContact O-OG 3.44Å; S88-Q204 VanDerWaalsContact CA-OE1 3.25Å; S88-Q204 PolarHBondContact O-OE1 3.36Å |
| 89 | L | 98.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 32.2 Ų | 32.2 | 57% | 0.571 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -63.6 | -43.8 | 177 | -69.4 | 175.2 | 0 | 0 | 0 | 111.8 | I85 I86 G93 | I85-L89 HydrophobicContact CG2-CD1 4.04Å; I85-L89 WeakPolarHBondContact O-CG 3.01Å; I85-L89 PolarHBondContact O-N 3.31Å; I86-L89 PolarHBondContact O-N 3.46Å; L89-G93 VanDerWaalsContact O-CA 3.27Å; L89-G93 WeakPolarHBondContact O-CA 3.22Å; L89-G93 PolarHBondContact O-N 3.42Å |
| 90 | I | 98.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -47.3 | 178.7 | -62.8 | 172.3 | 0 | 0 | 0 | 110.4 | I86 G94 I116 F119 G120 | I86-I90 HydrophobicContact CG2-CD1 3.68Å; I86-I90 HydrophobicContact CG2-CG1 4.49Å; I86-I90 VanDerWaalsContact O-CG1 3.28Å; I86-I90 WeakPolarHBondContact O-CG1 3.21Å; I86-I90 PolarHBondContact O-N 3.31Å; I86-I90 VanDerWaalsContact O-N 3.08Å; I90-G94 PolarHBondContact O-N 2.99Å; I90-I116 HydrophobicContact CG2-CG2 3.79Å; I90-I116 WeakPolarHBondContact CG2-O 3.19Å; I90-I116 WeakPolarHBondContact O-CG2 3.26Å; I90-F119 HydrophobicContact CD1-CD1 4.05Å; I90-F119 HydrophobicContact CD1-CE1 4.03Å; I90-F119 HydrophobicContact CG2-CD1 4.23Å; I90-G120 VanDerWaalsContact CG2-CA 3.48Å |
| 91 | H | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -57.6 | -176.7 | -176.3 | -131.9 | 0 | 0 | 0 | 111.9 | T23 S87 G93 G94 I95 Q117 F121 Q204 | T23-H91 PolarHBondContact O-CE1 2.8Å; T23-H91 VanDerWaalsContact O-CE1 3.28Å; S87-H91 WeakPolarHBondContact O-CB 3.2Å; S87-H91 PolarHBondContact O-N 3.37Å; H91-G93 VanDerWaalsContact C-N 3.33Å; H91-G93 PolarHBondContact O-N 3.34Å; H91-G94 PolarHBondContact O-N 3.41Å; H91-I95 PolarHBondContact O-N 3.4Å; H91-I95 VanDerWaalsContact O-N 3.14Å; H91-Q117 VanDerWaalsContact CD2-CG 3.4Å; H91-Q117 WeakPolarHBondContact CD2-CG 3.06Å; H91-Q117 PolarHBondContact CD2-O 3.17Å; H91-Q117 WeakPolarHBondContact NE2-CG 3.45Å; H91-F121 AromaticContact CD2-CD1 3.67Å; H91-F121 AromaticContact NE2-CD1 3.65Å; H91-Q204 PolarHBondContact ND1-NE2 3.16Å; H91-Q204 VanDerWaalsContact ND1-NE2 3.15Å |
| 92 | S | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -33.5 | -179 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | S88 T96 L200 L201 Q204 | S88-S92 VanDerWaalsContact O-CB 3.29Å; S88-S92 WeakPolarHBondContact O-CB 3.29Å; S88-S92 PolarHBondContact O-N 2.74Å; S88-S92 PolarHBondContact O-OG 3.44Å; S92-T96 WeakPolarHBondContact O-CB 3.3Å; S92-T96 PolarHBondContact O-N 3.23Å; S92-T96 PolarHBondContact O-OG1 3.06Å; S92-L200 WeakPolarHBondContact OG-CB 3.4Å; S92-L201 PolarHBondContact OG-N 3.02Å; S92-Q204 PolarHBondContact OG-OE1 2.93Å |
| 93 | G | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L89 H91 I95 T96 L97 | L89-G93 VanDerWaalsContact O-CA 3.27Å; L89-G93 WeakPolarHBondContact O-CA 3.22Å; L89-G93 PolarHBondContact O-N 3.42Å; H91-G93 VanDerWaalsContact C-N 3.33Å; H91-G93 PolarHBondContact O-N 3.34Å; G93-I95 VanDerWaalsContact C-N 3.34Å; G93-I95 PolarHBondContact O-N 3.4Å; G93-T96 PolarHBondContact O-N 3.19Å; G93-L97 WeakPolarHBondContact O-CB 3.33Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.48Å; G93-L97 PolarHBondContact O-N 3.28Å |
| 94 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I90 H91 L97 S98 T112 I116 | I90-G94 PolarHBondContact O-N 2.99Å; H91-G94 PolarHBondContact O-N 3.41Å; G94-L97 PolarHBondContact O-N 3.27Å; G94-S98 PolarHBondContact O-N 2.83Å; G94-S98 VanDerWaalsContact O-N 3.16Å; G94-S98 PolarHBondContact O-OG 3.05Å; G94-T112 WeakPolarHBondContact O-CB 3.47Å; G94-I116 VanDerWaalsContact CA-CG2 3.46Å |
| 95 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.5 | -67.2 | 166.6 | 0 | 0 | 0 | 110.8 | Y26 H91 G93 L97 S98 Y113 Q117 F193 I196 L200 | Y26-I95 HydrophobicContact CD1-CD1 3.42Å; Y26-I95 VanDerWaalsContact CD1-CD1 3.42Å; Y26-I95 HydrophobicContact CD1-CG1 4.39Å; Y26-I95 HydrophobicContact CE1-CD1 3.48Å; Y26-I95 VanDerWaalsContact CE1-CD1 3.48Å; Y26-I95 HydrophobicContact CE1-CG1 4.02Å; Y26-I95 HydrophobicContact CG-CD1 4.24Å; H91-I95 PolarHBondContact O-N 3.4Å; H91-I95 VanDerWaalsContact O-N 3.14Å; G93-I95 VanDerWaalsContact C-N 3.34Å; G93-I95 PolarHBondContact O-N 3.4Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 2.91Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.1Å; I95-S98 PolarHBondContact O-OG 3.39Å; I95-Y113 HydrophobicContact CG1-CD2 4.44Å; I95-Y113 HydrophobicContact CG1-CE2 4.39Å; I95-Q117 HydrophobicContact CD1-CG 3.99Å; I95-Q117 HydrophobicContact CG1-CB 4.44Å; I95-Q117 HydrophobicContact CG1-CG 3.89Å; I95-F193 HydrophobicContact CG2-CD1 4.32Å; I95-F193 WeakPolarHBondContact O-CB 3.23Å; I95-I196 HydrophobicContact CG2-CB 4.32Å; I95-I196 HydrophobicContact CG2-CG2 3.85Å; I95-L200 HydrophobicContact CD1-CD1 3.2Å; I95-L200 HydrophobicContact CG1-CD1 4.47Å |
| 96 | T | 98.7 | Very high | 98.3 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | S92 G93 S98 Y99 L194 | S92-T96 WeakPolarHBondContact O-CB 3.3Å; S92-T96 PolarHBondContact O-N 3.23Å; S92-T96 PolarHBondContact O-OG1 3.06Å; G93-T96 PolarHBondContact O-N 3.19Å; T96-S98 PolarHBondContact O-N 3.25Å; T96-Y99 VanDerWaalsContact O-CB 3.28Å; T96-Y99 WeakPolarHBondContact O-CB 3.47Å; T96-Y99 PolarHBondContact O-N 3.37Å; T96-L194 HydrophobicContact CG2-CD2 3.67Å |
| 97 | L | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -22.8 | 176.4 | -71.7 | 171.8 | 0 | 0 | 0 | 113 | G93 G94 I95 Y99 Y100 T101 T112 | G93-L97 WeakPolarHBondContact O-CB 3.33Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.48Å; G93-L97 PolarHBondContact O-N 3.28Å; G94-L97 PolarHBondContact O-N 3.27Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 2.91Å; L97-Y99 PolarHBondContact O-N 3.17Å; L97-Y99 VanDerWaalsContact O-N 3.17Å; L97-Y100 PolarHBondContact O-N 3Å; L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.17Å; L97-T101 PolarHBondContact O-OG1 3.34Å; L97-T112 HydrophobicContact CB-CG2 3.69Å |
| 98 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -24.9 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 112.7 | G94 I95 T96 Y100 T101 L102 T112 Y113 | G94-S98 PolarHBondContact O-N 2.83Å; G94-S98 VanDerWaalsContact O-N 3.16Å; G94-S98 PolarHBondContact O-OG 3.05Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.1Å; I95-S98 PolarHBondContact O-OG 3.39Å; T96-S98 PolarHBondContact O-N 3.25Å; S98-Y100 VanDerWaalsContact C-N 3.33Å; S98-Y100 PolarHBondContact O-N 3.2Å; S98-T101 WeakPolarHBondContact CA-OG1 3.39Å; S98-L102 WeakPolarHBondContact O-CB 3.33Å; S98-L102 PolarHBondContact O-N 3.45Å; S98-T112 PolarHBondContact OG-OG1 2.83Å; S98-Y113 WeakPolarHBondContact OG-CB 3.38Å |
| 99 | Y | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.6 | -46.6 | 169.9 | 171.3 | -107.3 | 0 | 0 | 0 | 113 | T96 L97 R103 P190 L194 | T96-Y99 VanDerWaalsContact O-CB 3.28Å; T96-Y99 WeakPolarHBondContact O-CB 3.47Å; T96-Y99 PolarHBondContact O-N 3.37Å; L97-Y99 PolarHBondContact O-N 3.17Å; L97-Y99 VanDerWaalsContact O-N 3.17Å; Y99-R103 PolarHBondContact OH-NH1 3.3Å; Y99-R103 PolarHBondContact OH-NH2 3.41Å; Y99-P190 HydrophobicContact CD2-CB 3.92Å; Y99-P190 WeakPolarHBondContact CD2-O 3.23Å; Y99-P190 HydrophobicContact CE2-CB 4.19Å; Y99-L194 HydrophobicContact CD1-CD1 3.9Å; Y99-L194 HydrophobicContact CD1-CD2 3.99Å; Y99-L194 HydrophobicContact CD1-CG 4.08Å; Y99-L194 HydrophobicContact CD2-CD1 3.64Å; Y99-L194 HydrophobicContact CD2-CD2 4.39Å; Y99-L194 HydrophobicContact CD2-CG 3.67Å; Y99-L194 HydrophobicContact CE1-CD1 3.93Å; Y99-L194 HydrophobicContact CE2-CD1 3.69Å; Y99-L194 HydrophobicContact CE2-CG 4.25Å; Y99-L194 HydrophobicContact CG-CD1 3.74Å; Y99-L194 HydrophobicContact CG-CD2 3.77Å; Y99-L194 HydrophobicContact CG-CG 3.56Å |
| 100 | Y | 98.5 | Very high | 98.4 | Very high | 139 Ų | 139 | 39.8 Ų | 39.8 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -79.7 | -44.5 | -178.9 | -64.8 | -74.8 | 0 | 0 | 0 | 110.9 | L97 S98 L102 R103 L104 | L97-Y100 PolarHBondContact O-N 3Å; S98-Y100 VanDerWaalsContact C-N 3.33Å; S98-Y100 PolarHBondContact O-N 3.2Å; Y100-L102 PolarHBondContact O-N 3.19Å; Y100-R103 WeakPolarHBondContact O-CB 3.25Å; Y100-R103 PolarHBondContact O-N 3.18Å; Y100-L104 PolarHBondContact O-N 2.59Å |
| 101 | T | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.7 | -28.6 | -172.9 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | L97 S98 R103 L104 G105 P108 T112 | L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.17Å; L97-T101 PolarHBondContact O-OG1 3.34Å; S98-T101 WeakPolarHBondContact CA-OG1 3.39Å; T101-R103 PolarHBondContact O-N 2.99Å; T101-L104 PolarHBondContact O-N 3.47Å; T101-L104 VanDerWaalsContact O-N 3.09Å; T101-G105 PolarHBondContact O-N 3.44Å; T101-G105 VanDerWaalsContact O-N 3.13Å; T101-G105 VanDerWaalsContact O-O 3.13Å; T101-P108 VanDerWaalsContact CB-C 3.44Å; T101-P108 WeakPolarHBondContact CB-O 3.23Å; T101-P108 HydrophobicContact CG2-CB 4.03Å; T101-T112 HydrophobicContact CG2-CG2 3.51Å; T101-T112 PolarHBondContact OG1-OG1 2.87Å |
| 102 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.9 | -42.2 | 170.6 | 176.7 | 66.6 | 0 | 0 | 0 | 111 | I37 Y40 F41 S98 Y100 L104 G105 L109 V189 P190 F193 | I37-L102 HydrophobicContact CG2-CD1 4.1Å; Y40-L102 HydrophobicContact CD1-CD1 3.79Å; Y40-L102 HydrophobicContact CD1-CD2 3.91Å; Y40-L102 HydrophobicContact CD1-CG 3.72Å; Y40-L102 HydrophobicContact CD2-CD2 4.36Å; Y40-L102 HydrophobicContact CE1-CD1 4.21Å; Y40-L102 HydrophobicContact CE1-CD2 4.04Å; Y40-L102 HydrophobicContact CE1-CG 3.69Å; Y40-L102 HydrophobicContact CE2-CD2 4.5Å; Y40-L102 HydrophobicContact CG-CD2 4.1Å; Y40-L102 HydrophobicContact CG-CG 4.41Å; F41-L102 HydrophobicContact CE1-CD1 3.99Å; F41-L102 VanDerWaalsContact CE1-O 3.29Å; F41-L102 WeakPolarHBondContact CE1-O 3.37Å; F41-L102 HydrophobicContact CE2-CD1 4Å; F41-L102 HydrophobicContact CZ-CD1 3.57Å; S98-L102 WeakPolarHBondContact O-CB 3.33Å; S98-L102 PolarHBondContact O-N 3.45Å; Y100-L102 PolarHBondContact O-N 3.19Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.5Å; L102-G105 PolarHBondContact O-N 3.22Å; L102-L109 HydrophobicContact CB-CD1 4.17Å; L102-L109 HydrophobicContact CD1-CD1 4.49Å; L102-L109 HydrophobicContact CD1-CD2 3.79Å; L102-V189 HydrophobicContact CD2-CB 4.46Å; L102-V189 HydrophobicContact CD2-CG1 3.84Å; L102-P190 HydrophobicContact CD2-CB 4.13Å; L102-P190 HydrophobicContact CD2-CG 3.78Å; L102-F193 HydrophobicContact CD2-CD2 4.43Å; L102-F193 HydrophobicContact CD2-CE2 3.85Å |
| 103 | R | 97.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 38% | 0.381 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.1 | -29.4 | -179.4 | -62.3 | 178.8 | 173.4 | 145.9 | -3.5 | 112.8 | K46 Y99 Y100 T101 P190 | K46-R103 PolarHBondContact NZ-O 3.43Å; Y99-R103 PolarHBondContact OH-NH1 3.3Å; Y99-R103 PolarHBondContact OH-NH2 3.41Å; Y100-R103 WeakPolarHBondContact O-CB 3.25Å; Y100-R103 PolarHBondContact O-N 3.18Å; T101-R103 PolarHBondContact O-N 2.99Å; R103-P190 HydrophobicContact CG-CG 4.47Å |
| 104 | L | 97.6 | Very high | 98.3 | Very high | 117 Ų | 117 | 40.5 Ų | 40.5 | 61% | 0.613 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73.1 | -43.7 | 178.5 | -62.1 | 177.4 | 0 | 0 | 0 | 110.8 | K46 Y100 T101 L102 P108 | K46-L104 PolarHBondContact NZ-O 2.86Å; Y100-L104 PolarHBondContact O-N 2.59Å; T101-L104 PolarHBondContact O-N 3.47Å; T101-L104 VanDerWaalsContact O-N 3.09Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.5Å; L104-P108 HydrophobicContact CB-CB 3.94Å; L104-P108 HydrophobicContact CB-CG 3.79Å; L104-P108 HydrophobicContact CD1-CB 4.3Å |
| 105 | G | 97.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | trans | 154.2 | -175.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F41 T101 L102 P108 L109 | F41-G105 VanDerWaalsContact CE1-C 3.5Å; T101-G105 PolarHBondContact O-N 3.44Å; T101-G105 VanDerWaalsContact O-N 3.13Å; T101-G105 VanDerWaalsContact O-O 3.13Å; L102-G105 PolarHBondContact O-N 3.22Å; G105-P108 WeakPolarHBondContact O-CD 3.4Å; G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 PolarHBondContact O-N 3.48Å | ||
| 106 | F | 98.1 | Very high | 98.3 | Very high | 25 Ų | 25 | 46 Ų | 46 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -176.7 | -175.3 | -115.1 | 0 | 0 | 0 | 113.7 | F41 I48 S52 I53 W55 L56 L109 L110 | F41-F106 HydrophobicContact CE2-CB 4.08Å; F41-F106 AromaticContact CE2-CD2 3.77Å; F41-F106 HydrophobicContact CE2-CD2 3.77Å; F41-F106 HydrophobicContact CE2-CG 4.43Å; F41-F106 HydrophobicContact CZ-CB 4.05Å; F41-F106 HydrophobicContact CZ-CD2 4.34Å; I48-F106 HydrophobicContact CD1-CB 4.21Å; I48-F106 HydrophobicContact CD1-CD1 4.17Å; I48-F106 HydrophobicContact CD1-CD2 3.43Å; I48-F106 VanDerWaalsContact CD1-CD2 3.43Å; I48-F106 HydrophobicContact CD1-CE1 4.45Å; I48-F106 HydrophobicContact CD1-CE2 3.76Å; I48-F106 HydrophobicContact CD1-CG 3.67Å; I48-F106 HydrophobicContact CD1-CZ 4.27Å; I48-F106 HydrophobicContact CG2-CB 3.94Å; I48-F106 HydrophobicContact CG2-CG 4.29Å; S52-F106 WeakPolarHBondContact O-CZ 3.4Å; I53-F106 HydrophobicContact CD1-CE2 4.19Å; W55-F106 HydrophobicContact CB-CE1 4.41Å; W55-F106 HydrophobicContact CB-CZ 4.17Å; L56-F106 HydrophobicContact CD1-CE2 4.49Å; L56-F106 HydrophobicContact CD2-CE2 4.03Å; L56-F106 HydrophobicContact CD2-CZ 4.48Å; L56-F106 HydrophobicContact CG-CE2 4.05Å; L56-F106 HydrophobicContact CG-CZ 4.44Å; F106-L109 WeakPolarHBondContact O-CB 3.44Å; F106-L109 PolarHBondContact O-N 2.9Å; F106-L110 WeakPolarHBondContact O-CB 3.26Å; F106-L110 PolarHBondContact O-N 3.44Å |
| 107 | I | 97.8 | Very high | 98.3 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 57% | 0.569 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.9 | -47.1 | -178.7 | -56.9 | -58.7 | 0 | 0 | 0 | 112.4 | L109 L110 I111 | I107-L109 VanDerWaalsContact C-N 3.28Å; I107-L109 PolarHBondContact O-N 3.35Å; I107-L110 WeakPolarHBondContact O-CB 3.31Å; I107-L110 PolarHBondContact O-N 2.89Å; I107-L110 VanDerWaalsContact O-N 3.13Å; I107-I111 PolarHBondContact O-N 3.48Å; I107-I111 VanDerWaalsContact O-N 3.11Å |
| 108 | P | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 25% | 0.253 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 170.9 | -28.1 | 37 | 0 | 0 | 0 | 113.2 | T101 L104 G105 L110 I111 T112 | T101-P108 VanDerWaalsContact CB-C 3.44Å; T101-P108 WeakPolarHBondContact CB-O 3.23Å; T101-P108 HydrophobicContact CG2-CB 4.03Å; L104-P108 HydrophobicContact CB-CB 3.94Å; L104-P108 HydrophobicContact CB-CG 3.79Å; L104-P108 HydrophobicContact CD1-CB 4.3Å; G105-P108 WeakPolarHBondContact O-CD 3.4Å; P108-L110 VanDerWaalsContact C-N 3.34Å; P108-I111 WeakPolarHBondContact O-CB 3.3Å; P108-I111 PolarHBondContact O-N 3.41Å; P108-T112 PolarHBondContact O-N 3.02Å; P108-T112 PolarHBondContact O-OG1 3.15Å |
| 109 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 174.9 | 179.1 | 69.3 | 0 | 0 | 0 | 111.7 | I37 F41 L56 L102 G105 F106 I107 I111 T112 Y113 | I37-L109 HydrophobicContact CD1-CD2 4.41Å; I37-L109 HydrophobicContact CG2-CD2 3.66Å; F41-L109 HydrophobicContact CE2-CD2 3.95Å; F41-L109 HydrophobicContact CZ-CB 4.49Å; F41-L109 HydrophobicContact CZ-CD2 3.93Å; L56-L109 HydrophobicContact CD2-CD2 4.31Å; L56-L109 HydrophobicContact CD2-CG 4.26Å; L102-L109 HydrophobicContact CB-CD1 4.17Å; L102-L109 HydrophobicContact CD1-CD1 4.49Å; L102-L109 HydrophobicContact CD1-CD2 3.79Å; G105-L109 WeakPolarHBondContact O-CB 3.4Å; G105-L109 PolarHBondContact O-N 3.48Å; F106-L109 WeakPolarHBondContact O-CB 3.44Å; F106-L109 PolarHBondContact O-N 2.9Å; I107-L109 VanDerWaalsContact C-N 3.28Å; I107-L109 PolarHBondContact O-N 3.35Å; L109-I111 PolarHBondContact O-N 3.36Å; L109-T112 PolarHBondContact O-N 3.31Å; L109-T112 PolarHBondContact O-OG1 3.46Å; L109-Y113 HydrophobicContact CD1-CG 4.3Å; L109-Y113 WeakPolarHBondContact O-CA 3.26Å; L109-Y113 VanDerWaalsContact O-CB 3.23Å; L109-Y113 WeakPolarHBondContact O-CB 3.3Å; L109-Y113 PolarHBondContact O-N 2.99Å |
| 110 | L | 98.3 | Very high | 98.3 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -61.9 | -33.2 | 177.8 | -172 | 63.8 | 0 | 0 | 0 | 111.8 | W55 L56 V59 F106 I107 P108 G114 I115 | W55-L110 HydrophobicContact CB-CD1 3.96Å; W55-L110 HydrophobicContact CB-CD2 4.33Å; W55-L110 WeakPolarHBondContact O-CD1 3.45Å; L56-L110 HydrophobicContact CD2-CD1 3.95Å; V59-L110 HydrophobicContact CB-CD1 3.98Å; V59-L110 HydrophobicContact CG1-CD1 4.44Å; V59-L110 HydrophobicContact CG2-CD1 3.91Å; V59-L110 HydrophobicContact CG2-CD2 4.36Å; V59-L110 HydrophobicContact CG2-CG 4.33Å; F106-L110 WeakPolarHBondContact O-CB 3.26Å; F106-L110 PolarHBondContact O-N 3.44Å; I107-L110 WeakPolarHBondContact O-CB 3.31Å; I107-L110 PolarHBondContact O-N 2.89Å; I107-L110 VanDerWaalsContact O-N 3.13Å; P108-L110 VanDerWaalsContact C-N 3.34Å; L110-G114 CarbonylContact O-C 3.57Å; L110-G114 WeakPolarHBondContact O-CA 3.5Å; L110-G114 PolarHBondContact O-N 3.18Å; L110-I115 PolarHBondContact O-N 3.33Å |
| 111 | I | 98.6 | Very high | 98.3 | Very high | 84 Ų | 84 | 33.5 Ų | 33.5 | 43% | 0.431 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -65.4 | -46.6 | 174.6 | -67.7 | 163.2 | 0 | 0 | 0 | 111.1 | I107 P108 L109 I115 I116 | I107-I111 PolarHBondContact O-N 3.48Å; I107-I111 VanDerWaalsContact O-N 3.11Å; P108-I111 WeakPolarHBondContact O-CB 3.3Å; P108-I111 PolarHBondContact O-N 3.41Å; L109-I111 PolarHBondContact O-N 3.36Å; I111-I115 HydrophobicContact CG1-CD1 4.45Å; I111-I115 VanDerWaalsContact O-CB 3.3Å; I111-I115 WeakPolarHBondContact O-CB 3.39Å; I111-I115 PolarHBondContact O-N 2.86Å; I111-I116 HydrophobicContact CG2-CD1 4.37Å; I111-I116 WeakPolarHBondContact O-CG1 3.44Å; I111-I116 PolarHBondContact O-N 3.32Å |
| 112 | T | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -83.5 | -51 | -175.7 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | G94 L97 S98 T101 P108 L109 I116 Q117 | G94-T112 WeakPolarHBondContact O-CB 3.47Å; L97-T112 HydrophobicContact CB-CG2 3.69Å; S98-T112 PolarHBondContact OG-OG1 2.83Å; T101-T112 HydrophobicContact CG2-CG2 3.51Å; T101-T112 PolarHBondContact OG1-OG1 2.87Å; P108-T112 PolarHBondContact O-N 3.02Å; P108-T112 PolarHBondContact O-OG1 3.15Å; L109-T112 PolarHBondContact O-N 3.31Å; L109-T112 PolarHBondContact O-OG1 3.46Å; T112-I116 HydrophobicContact CG2-CD1 4.23Å; T112-Q117 PolarHBondContact O-N 3.2Å |
| 113 | Y | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -84 | -24.8 | -174.5 | -159.5 | -119.1 | 0 | 0 | 0 | 113.3 | Y26 I30 I37 L56 I95 S98 L109 Q117 F193 | Y26-Y113 AromaticContact CE1-CE2 3.63Å; Y26-Y113 HydrophobicContact CE1-CE2 3.63Å; Y26-Y113 AromaticContact CE1-CZ 3.93Å; Y26-Y113 WeakPolarHBondContact CE1-OH 3.32Å; Y26-Y113 AromaticContact CZ-CE2 3.96Å; Y26-Y113 WeakPolarHBondContact OH-CE2 3.41Å; Y26-Y113 PolarHBondContact OH-OH 3.44Å; I30-Y113 HydrophobicContact CD1-CE1 4.45Å; I30-Y113 HydrophobicContact CG1-CE1 3.75Å; I37-Y113 HydrophobicContact CD1-CE1 4.22Å; L56-Y113 HydrophobicContact CB-CD1 4.5Å; L56-Y113 HydrophobicContact CD1-CD1 3.98Å; L56-Y113 HydrophobicContact CD1-CE1 4.29Å; L56-Y113 HydrophobicContact CD2-CD1 4.09Å; L56-Y113 HydrophobicContact CG-CD1 4.42Å; I95-Y113 HydrophobicContact CG1-CD2 4.44Å; I95-Y113 HydrophobicContact CG1-CE2 4.39Å; S98-Y113 WeakPolarHBondContact OG-CB 3.38Å; L109-Y113 HydrophobicContact CD1-CG 4.3Å; L109-Y113 WeakPolarHBondContact O-CA 3.26Å; L109-Y113 VanDerWaalsContact O-CB 3.23Å; L109-Y113 WeakPolarHBondContact O-CB 3.3Å; L109-Y113 PolarHBondContact O-N 2.99Å; Y113-Q117 WeakPolarHBondContact O-CB 3.43Å; Y113-Q117 PolarHBondContact O-NE2 3.01Å; Y113-Q117 VanDerWaalsContact O-NE2 3.09Å; Y113-F193 HydrophobicContact CD2-CD1 4.11Å; Y113-F193 AromaticContact CD2-CE1 3.67Å; Y113-F193 HydrophobicContact CD2-CE1 3.67Å; Y113-F193 HydrophobicContact CE1-CE1 4.34Å; Y113-F193 AromaticContact CE2-CD1 3.93Å; Y113-F193 HydrophobicContact CE2-CD1 3.93Å; Y113-F193 AromaticContact CE2-CE1 3.39Å; Y113-F193 HydrophobicContact CE2-CE1 3.39Å; Y113-F193 HydrophobicContact CE2-CZ 4.49Å; Y113-F193 HydrophobicContact CG-CE1 4.3Å; Y113-F193 AromaticContact CZ-CE1 3.78Å |
| 114 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -91.8 | -70.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | A60 L110 G118 | A60-G114 WeakPolarHBondContact CA-O 3.47Å; L110-G114 CarbonylContact O-C 3.57Å; L110-G114 WeakPolarHBondContact O-CA 3.5Å; L110-G114 PolarHBondContact O-N 3.18Å; G114-G118 WeakPolarHBondContact O-CA 3.4Å; G114-G118 PolarHBondContact O-N 3.2Å |
| 115 | I | 98.6 | Very high | 98 | Very high | 66 Ų | 66 | 23 Ų | 23 | 34% | 0.338 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -69 | -58.7 | -167.8 | -59.8 | 176 | 0 | 0 | 0 | 112.5 | V59 M63 L110 I111 G118 F119 | V59-I115 HydrophobicContact CG1-CB 4.33Å; V59-I115 HydrophobicContact CG1-CD1 4.4Å; V59-I115 HydrophobicContact CG1-CG1 3.34Å; M63-I115 HydrophobicContact CE-CG2 4.13Å; M63-I115 HydrophobicContact CG-CB 4.17Å; M63-I115 HydrophobicContact CG-CG1 4.31Å; M63-I115 HydrophobicContact CG-CG2 3.94Å; M63-I115 HydrophobicContact SD-CG2 4.23Å; L110-I115 PolarHBondContact O-N 3.33Å; I111-I115 HydrophobicContact CG1-CD1 4.45Å; I111-I115 VanDerWaalsContact O-CB 3.3Å; I111-I115 WeakPolarHBondContact O-CB 3.39Å; I111-I115 PolarHBondContact O-N 2.86Å; I115-G118 PolarHBondContact O-N 3.22Å; I115-F119 WeakPolarHBondContact O-CB 3.48Å; I115-F119 PolarHBondContact O-N 3.22Å |
| 116 | I | 98.7 | Very high | 97.7 | Very high | 50 Ų | 50 | 22.6 Ų | 22.6 | 26% | 0.256 | 12% | 0.116 | S | C | . | . | I | π-helix | trans | -66.2 | -46.1 | -174.3 | -63.5 | 173.6 | 0 | 0 | 0 | 110.1 | I90 G94 I111 T112 G120 | I90-I116 HydrophobicContact CG2-CG2 3.79Å; I90-I116 WeakPolarHBondContact CG2-O 3.19Å; I90-I116 WeakPolarHBondContact O-CG2 3.26Å; G94-I116 VanDerWaalsContact CA-CG2 3.46Å; I111-I116 HydrophobicContact CG2-CD1 4.37Å; I111-I116 WeakPolarHBondContact O-CG1 3.44Å; I111-I116 PolarHBondContact O-N 3.32Å; T112-I116 HydrophobicContact CG2-CD1 4.23Å; I116-G120 PolarHBondContact O-N 3.06Å |
| 117 | Q | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.2 | -55.5 | 174.7 | -173.6 | -168.4 | 128.2 | 0 | 0 | 111.5 | H91 I95 T112 Y113 F119 G120 F121 | H91-Q117 VanDerWaalsContact CD2-CG 3.4Å; H91-Q117 WeakPolarHBondContact CD2-CG 3.06Å; H91-Q117 PolarHBondContact CD2-O 3.17Å; H91-Q117 WeakPolarHBondContact NE2-CG 3.45Å; I95-Q117 HydrophobicContact CD1-CG 3.99Å; I95-Q117 HydrophobicContact CG1-CB 4.44Å; I95-Q117 HydrophobicContact CG1-CG 3.89Å; T112-Q117 PolarHBondContact O-N 3.2Å; Y113-Q117 WeakPolarHBondContact O-CB 3.43Å; Y113-Q117 PolarHBondContact O-NE2 3.01Å; Y113-Q117 VanDerWaalsContact O-NE2 3.09Å; Q117-F119 PolarHBondContact O-N 3.37Å; Q117-G120 WeakPolarHBondContact O-CA 3.48Å; Q117-G120 PolarHBondContact O-N 3.37Å; Q117-F121 HydrophobicContact CG-CD1 4Å; Q117-F121 HydrophobicContact CG-CE1 4.01Å; Q117-F121 WeakPolarHBondContact O-CD1 3.31Å; Q117-F121 PolarHBondContact O-N 2.92Å |
| 118 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51.6 | -51.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | A60 E64 G114 I115 G120 G122 | A60-G118 VanDerWaalsContact O-CA 3.28Å; A60-G118 WeakPolarHBondContact O-CA 3.36Å; E64-G118 VanDerWaalsContact CA-O 3.32Å; E64-G118 WeakPolarHBondContact CA-O 3.43Å; E64-G118 PolarHBondContact N-O 3.32Å; G114-G118 WeakPolarHBondContact O-CA 3.4Å; G114-G118 PolarHBondContact O-N 3.2Å; I115-G118 PolarHBondContact O-N 3.22Å; G118-G120 VanDerWaalsContact C-N 3.33Å; G118-G120 PolarHBondContact O-N 2.8Å; G118-G122 PolarHBondContact O-N 3.18Å |
| 119 | F | 98.6 | Very high | 96.9 | Very high | 54 Ų | 54 | 14.5 Ų | 14.5 | 24% | 0.237 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.1 | -170.8 | -83.6 | 0 | 0 | 0 | 111.3 | M63 A67 I70 I90 I115 Q117 G122 F123 | M63-F119 HydrophobicContact CB-CB 4.32Å; M63-F119 HydrophobicContact CE-CB 4.41Å; M63-F119 HydrophobicContact CE-CD2 3.85Å; A67-F119 HydrophobicContact CB-CB 4.47Å; A67-F119 HydrophobicContact CB-CD1 4.38Å; A67-F119 HydrophobicContact CB-CD2 3.69Å; A67-F119 HydrophobicContact CB-CE2 3.92Å; A67-F119 HydrophobicContact CB-CG 3.94Å; A67-F119 HydrophobicContact CB-CZ 4.37Å; A67-F119 WeakPolarHBondContact CB-O 3.2Å; I70-F119 HydrophobicContact CD1-CE2 4.14Å; I70-F119 HydrophobicContact CD1-CZ 4.41Å; I90-F119 HydrophobicContact CD1-CD1 4.05Å; I90-F119 HydrophobicContact CD1-CE1 4.03Å; I90-F119 HydrophobicContact CG2-CD1 4.23Å; I115-F119 WeakPolarHBondContact O-CB 3.48Å; I115-F119 PolarHBondContact O-N 3.22Å; Q117-F119 PolarHBondContact O-N 3.37Å; F119-G122 PolarHBondContact O-N 3.27Å; F119-F123 AromaticContact CE1-CD2 3.71Å; F119-F123 HydrophobicContact CE1-CD2 3.71Å; F119-F123 HydrophobicContact CE1-CE2 4.29Å; F119-F123 HydrophobicContact CE1-CG 4.47Å; F119-F123 HydrophobicContact CZ-CD2 4Å; F119-F123 HydrophobicContact CZ-CE2 4.4Å; F119-F123 VanDerWaalsContact O-CB 3.27Å; F119-F123 WeakPolarHBondContact O-CB 3.33Å; F119-F123 PolarHBondContact O-N 3.38Å |
| 120 | G | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.9 | -55.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S87 I90 I116 Q117 G118 | S87-G120 WeakPolarHBondContact CA-O 3.4Å; S87-G120 WeakPolarHBondContact CB-O 3.25Å; I90-G120 VanDerWaalsContact CG2-CA 3.48Å; I116-G120 PolarHBondContact O-N 3.06Å; Q117-G120 WeakPolarHBondContact O-CA 3.48Å; Q117-G120 PolarHBondContact O-N 3.37Å; G118-G120 VanDerWaalsContact C-N 3.33Å; G118-G120 PolarHBondContact O-N 2.8Å |
| 121 | F | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.3 | -36.8 | -179.4 | 66.5 | -105.2 | 0 | 0 | 0 | 112.8 | Y24 F27 A60 E64 H91 Q117 F123 G124 Y125 F151 | Y24-F121 HydrophobicContact CD1-CB 3.43Å; Y24-F121 VanDerWaalsContact CD1-CB 3.43Å; Y24-F121 HydrophobicContact CD2-CB 4.44Å; Y24-F121 HydrophobicContact CE1-CB 4.14Å; Y24-F121 HydrophobicContact CG-CB 3.62Å; F27-F121 HydrophobicContact CB-CE1 4.11Å; F27-F121 HydrophobicContact CB-CZ 4.03Å; F27-F121 HydrophobicContact CD2-CE1 4.22Å; F27-F121 AromaticContact CD2-CZ 3.78Å; F27-F121 HydrophobicContact CD2-CZ 3.78Å; F27-F121 HydrophobicContact CG-CE1 4.49Å; F27-F121 HydrophobicContact CG-CZ 4.03Å; A60-F121 HydrophobicContact CB-CE1 4.34Å; A60-F121 HydrophobicContact CB-CZ 4.25Å; E64-F121 HydrophobicContact CB-CD2 4.17Å; E64-F121 HydrophobicContact CB-CE2 3.52Å; E64-F121 HydrophobicContact CB-CZ 4.08Å; E64-F121 HydrophobicContact CG-CD2 3.84Å; E64-F121 HydrophobicContact CG-CE2 3.49Å; E64-F121 VanDerWaalsContact CG-CE2 3.49Å; E64-F121 HydrophobicContact CG-CZ 4.5Å; E64-F121 WeakPolarHBondContact OE2-CE2 3.4Å; H91-F121 AromaticContact CD2-CD1 3.67Å; H91-F121 AromaticContact NE2-CD1 3.65Å; Q117-F121 HydrophobicContact CG-CD1 4Å; Q117-F121 HydrophobicContact CG-CE1 4.01Å; Q117-F121 WeakPolarHBondContact O-CD1 3.31Å; Q117-F121 PolarHBondContact O-N 2.92Å; F121-F123 VanDerWaalsContact C-N 3.27Å; F121-F123 PolarHBondContact O-N 3.48Å; F121-G124 PolarHBondContact O-N 3.16Å; F121-Y125 WeakPolarHBondContact O-CB 3.37Å; F121-Y125 PolarHBondContact O-N 3.16Å; F121-F151 HydrophobicContact CD2-CE2 4.16Å; F121-F151 HydrophobicContact CE2-CE2 4.39Å; F121-F151 HydrophobicContact CE2-CZ 4.34Å |
| 122 | G | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.2 | -33.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | M68 G118 F119 G124 Y125 | M68-G122 WeakPolarHBondContact CA-O 3.44Å; M68-G122 WeakPolarHBondContact CG-O 3.34Å; G118-G122 PolarHBondContact O-N 3.18Å; F119-G122 PolarHBondContact O-N 3.27Å; G122-G124 VanDerWaalsContact C-N 3.27Å; G122-G124 PolarHBondContact O-N 2.86Å; G122-Y125 PolarHBondContact O-N 3.18Å |
| 123 | F | 97.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 10.9 Ų | 10.9 | 5% | 0.053 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 177.1 | -163.2 | -91.6 | 0 | 0 | 0 | 112.7 | A67 I70 G71 L74 V83 I86 F119 F121 | A67-F123 HydrophobicContact CB-CB 4.32Å; I70-F123 HydrophobicContact CB-CE2 4.39Å; I70-F123 HydrophobicContact CG2-CD2 4.4Å; I70-F123 HydrophobicContact CG2-CE2 3.77Å; G71-F123 WeakPolarHBondContact CA-O 3.17Å; L74-F123 HydrophobicContact CB-CZ 4.36Å; L74-F123 HydrophobicContact CD2-CE1 3.94Å; L74-F123 HydrophobicContact CD2-CZ 3.54Å; V83-F123 HydrophobicContact CB-CE1 4.49Å; V83-F123 HydrophobicContact CG1-CD1 3.89Å; V83-F123 HydrophobicContact CG1-CE1 4.03Å; V83-F123 WeakPolarHBondContact CG1-O 3.3Å; I86-F123 HydrophobicContact CB-CD1 4.27Å; I86-F123 HydrophobicContact CB-CE1 3.87Å; I86-F123 HydrophobicContact CD1-CE1 4.23Å; I86-F123 HydrophobicContact CD1-CZ 4.49Å; I86-F123 HydrophobicContact CG2-CD1 3.94Å; I86-F123 HydrophobicContact CG2-CE1 3.59Å; I86-F123 HydrophobicContact CG2-CZ 3.96Å; F119-F123 AromaticContact CE1-CD2 3.71Å; F119-F123 HydrophobicContact CE1-CD2 3.71Å; F119-F123 HydrophobicContact CE1-CE2 4.29Å; F119-F123 HydrophobicContact CE1-CG 4.47Å; F119-F123 HydrophobicContact CZ-CD2 4Å; F119-F123 HydrophobicContact CZ-CE2 4.4Å; F119-F123 VanDerWaalsContact O-CB 3.27Å; F119-F123 WeakPolarHBondContact O-CB 3.33Å; F119-F123 PolarHBondContact O-N 3.38Å; F121-F123 VanDerWaalsContact C-N 3.27Å; F121-F123 PolarHBondContact O-N 3.48Å |
| 124 | G | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -92.7 | -19.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y24 F121 G122 A127 T128 | Y24-G124 WeakPolarHBondContact OH-CA 3.34Å; F121-G124 PolarHBondContact O-N 3.16Å; G122-G124 VanDerWaalsContact C-N 3.27Å; G122-G124 PolarHBondContact O-N 2.86Å; G124-A127 PolarHBondContact O-N 3.16Å; G124-T128 VanDerWaalsContact O-CG2 3.24Å; G124-T128 WeakPolarHBondContact O-CG2 3.18Å; G124-T128 PolarHBondContact O-N 3.34Å; G124-T128 PolarHBondContact O-OG1 3.45Å |
| 125 | Y | 95.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.016 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.8 | -59.9 | -169.1 | -174.4 | -97.3 | 0 | 0 | 0 | 113.6 | Q21 Y24 M68 F121 G122 A127 T128 I129 V148 F151 Y381 | Q21-Y125 PolarHBondContact NE2-O 3.33Å; Y24-Y125 HydrophobicContact CD2-CD2 4.43Å; M68-Y125 HydrophobicContact CE-CD1 3.82Å; M68-Y125 HydrophobicContact CE-CE1 4.19Å; M68-Y125 HydrophobicContact CG-CD1 4.33Å; M68-Y125 HydrophobicContact SD-CD1 3.87Å; M68-Y125 HydrophobicContact SD-CE1 4.45Å; F121-Y125 WeakPolarHBondContact O-CB 3.37Å; F121-Y125 PolarHBondContact O-N 3.16Å; G122-Y125 PolarHBondContact O-N 3.18Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.4Å; Y125-T128 PolarHBondContact O-OG1 3.06Å; Y125-I129 HydrophobicContact CD1-CD1 4.03Å; Y125-I129 HydrophobicContact CE1-CD1 3.71Å; Y125-I129 WeakPolarHBondContact O-CG1 3.48Å; Y125-I129 PolarHBondContact O-N 2.97Å; Y125-V148 HydrophobicContact CE2-CG1 4.38Å; Y125-V148 WeakPolarHBondContact OH-CG1 3.38Å; Y125-F151 AromaticContact CD2-CD2 3.76Å; Y125-F151 HydrophobicContact CD2-CD2 3.76Å; Y125-F151 AromaticContact CD2-CE2 3.95Å; Y125-F151 HydrophobicContact CD2-CE2 3.95Å; Y125-F151 HydrophobicContact CE2-CB 4.38Å; Y125-F151 AromaticContact CE2-CD2 3.46Å; Y125-F151 HydrophobicContact CE2-CD2 3.46Å; Y125-F151 VanDerWaalsContact CE2-CD2 3.46Å; Y125-F151 AromaticContact CE2-CE2 3.85Å; Y125-F151 HydrophobicContact CE2-CE2 3.85Å; Y125-F151 HydrophobicContact CE2-CG 4.02Å; Y125-Y381 HydrophobicContact CD1-CE1 4.39Å; Y125-Y381 AromaticContact CE1-CE1 3.82Å; Y125-Y381 HydrophobicContact CE1-CE1 3.82Å |
| 126 | S | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.5 | -31.9 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | M68 A130 | M68-S126 PolarHBondContact O-OG 3.01Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 3.26Å |
| 127 | A | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y75 I80 V83 G124 Y125 A130 A131 | Y75-A127 HydrophobicContact CG-CB 4.06Å; I80-A127 HydrophobicContact CD1-CB 4.03Å; V83-A127 HydrophobicContact CB-CB 4.49Å; V83-A127 HydrophobicContact CG1-CB 3.7Å; G124-A127 PolarHBondContact O-N 3.16Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.4Å; A127-A130 PolarHBondContact O-N 3.18Å; A127-A131 WeakPolarHBondContact O-CB 3.42Å; A127-A131 PolarHBondContact O-N 3.3Å |
| 128 | T | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.3 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | I20 Q21 I80 V84 G124 Y125 A131 S132 M211 | I20-T128 HydrophobicContact CB-CG2 4.5Å; I20-T128 HydrophobicContact CG2-CG2 3.9Å; Q21-T128 PolarHBondContact NE2-OG1 3.33Å; I80-T128 HydrophobicContact CD1-CG2 4.12Å; V84-T128 HydrophobicContact CG2-CG2 3.94Å; G124-T128 VanDerWaalsContact O-CG2 3.24Å; G124-T128 WeakPolarHBondContact O-CG2 3.18Å; G124-T128 PolarHBondContact O-N 3.34Å; G124-T128 PolarHBondContact O-OG1 3.45Å; Y125-T128 PolarHBondContact O-OG1 3.06Å; T128-A131 PolarHBondContact O-N 3.18Å; T128-S132 PolarHBondContact O-N 2.97Å; T128-S132 PolarHBondContact O-OG 3.33Å; T128-M211 HydrophobicContact CG2-CE 3.95Å; T128-M211 HydrophobicContact CG2-SD 3.91Å |
| 129 | I | 91.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 173.2 | -64.7 | 168.6 | 0 | 0 | 0 | 110.3 | Y125 A131 S132 I133 V144 I147 V148 Y381 | Y125-I129 HydrophobicContact CD1-CD1 4.03Å; Y125-I129 HydrophobicContact CE1-CD1 3.71Å; Y125-I129 WeakPolarHBondContact O-CG1 3.48Å; Y125-I129 PolarHBondContact O-N 2.97Å; I129-A131 PolarHBondContact O-N 3.39Å; I129-S132 PolarHBondContact O-N 2.85Å; I129-I133 HydrophobicContact CG2-CD1 3.62Å; I129-I133 HydrophobicContact CG2-CG1 4.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.43Å; I129-I133 PolarHBondContact O-N 3.4Å; I129-V144 HydrophobicContact CG2-CG2 4.2Å; I129-I147 HydrophobicContact CG1-CG2 4.01Å; I129-V148 HydrophobicContact CD1-CG2 3.63Å; I129-V148 HydrophobicContact CG1-CG2 4.02Å; I129-Y381 HydrophobicContact CD1-CE1 4.39Å |
| 130 | A | 87.6 | Confident | 88.3 | Confident | 20 Ų | 20 | 30 Ų | 30 | 17% | 0.165 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y75 S126 A127 S132 I133 A134 A378 | Y75-A130 HydrophobicContact CD1-CB 4.41Å; Y75-A130 HydrophobicContact CE1-CB 4.09Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 3.26Å; A127-A130 PolarHBondContact O-N 3.18Å; A130-S132 VanDerWaalsContact C-N 3.31Å; A130-S132 PolarHBondContact O-N 3.04Å; A130-I133 PolarHBondContact O-N 3.3Å; A130-A134 PolarHBondContact O-N 2.92Å; A130-A134 VanDerWaalsContact O-N 3.11Å; A130-A378 HydrophobicContact CB-CB 4.08Å |
| 131 | A | 88.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y75 I80 A127 T128 I129 M211 | Y75-A131 HydrophobicContact CE2-CB 4.22Å; Y75-A131 WeakPolarHBondContact OH-CA 3.36Å; I80-A131 HydrophobicContact CB-CB 4.17Å; I80-A131 HydrophobicContact CD1-CB 3.96Å; I80-A131 HydrophobicContact CG1-CB 3.87Å; A127-A131 WeakPolarHBondContact O-CB 3.42Å; A127-A131 PolarHBondContact O-N 3.3Å; T128-A131 PolarHBondContact O-N 3.18Å; I129-A131 PolarHBondContact O-N 3.39Å; A131-M211 HydrophobicContact CB-CE 4.36Å |
| 132 | S | 86.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77.2 | -38.9 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | T128 I129 A130 A134 W135 | T128-S132 PolarHBondContact O-N 2.97Å; T128-S132 PolarHBondContact O-OG 3.33Å; I129-S132 PolarHBondContact O-N 2.85Å; A130-S132 VanDerWaalsContact C-N 3.31Å; A130-S132 PolarHBondContact O-N 3.04Å; S132-A134 PolarHBondContact O-N 3.3Å; S132-W135 WeakPolarHBondContact O-CB 3.28Å; S132-W135 PolarHBondContact O-N 2.85Å; S132-W135 VanDerWaalsContact O-N 3.09Å |
| 133 | I | 83.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -35.9 | 174.5 | -68.7 | 170.8 | 0 | 0 | 0 | 110.9 | I129 A130 W135 F136 V144 | I129-I133 HydrophobicContact CG2-CD1 3.62Å; I129-I133 HydrophobicContact CG2-CG1 4.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.43Å; I129-I133 PolarHBondContact O-N 3.4Å; A130-I133 PolarHBondContact O-N 3.3Å; I133-W135 PolarHBondContact O-N 2.91Å; I133-F136 CarbonylContact O-C 3.45Å; I133-F136 PolarHBondContact O-N 3.4Å; I133-V144 HydrophobicContact CD1-CG2 3.51Å; I133-V144 HydrophobicContact CG1-CG2 4Å |
| 134 | A | 82.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A130 S132 K214 | A130-A134 PolarHBondContact O-N 2.92Å; A130-A134 VanDerWaalsContact O-N 3.11Å; S132-A134 PolarHBondContact O-N 3.3Å; A134-K214 WeakPolarHBondContact O-CD 3.36Å; A134-K214 PolarHBondContact O-NZ 3.3Å |
| 135 | W | 83.4 | Confident | 86 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -32.8 | 175.2 | -68.5 | 99 | 0 | 0 | 0 | 113.9 | N6 H9 S132 I133 R212 K214 | N6-W135 HydrophobicContact CB-CZ3 4.39Å; N6-W135 WeakPolarHBondContact O-CZ3 3.44Å; H9-W135 HydrophobicContact CB-CH2 3.66Å; H9-W135 HydrophobicContact CB-CZ2 4.15Å; H9-W135 HydrophobicContact CB-CZ3 4.16Å; S132-W135 WeakPolarHBondContact O-CB 3.28Å; S132-W135 PolarHBondContact O-N 2.85Å; S132-W135 VanDerWaalsContact O-N 3.09Å; I133-W135 PolarHBondContact O-N 2.91Å; W135-R212 PolarHBondContact NE1-O 3Å; W135-K214 HydrophobicContact CD2-CB 3.99Å; W135-K214 HydrophobicContact CD2-CD 4.23Å; W135-K214 HydrophobicContact CD2-CG 4.24Å; W135-K214 HydrophobicContact CE3-CB 4.44Å; W135-K214 HydrophobicContact CE3-CD 4.23Å; W135-K214 HydrophobicContact CE3-CG 4.22Å; W135-K214 HydrophobicContact CH2-CB 4.29Å; W135-K214 HydrophobicContact CH2-CG 4.34Å; W135-K214 HydrophobicContact CZ2-CB 3.81Å; W135-K214 HydrophobicContact CZ2-CG 4.34Å; W135-K214 HydrophobicContact CZ3-CG 4.29Å |
| 136 | F | 81 | Confident | 85.9 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | trans | -125.5 | 90.3 | -171.5 | -66.2 | -82.5 | 0 | 0 | 0 | 112.5 | S10 V11 V14 I133 I143 | S10-F136 VanDerWaalsContact OG-CZ 3.26Å; S10-F136 WeakPolarHBondContact OG-CZ 3.39Å; V11-F136 HydrophobicContact CG2-CZ 4.48Å; V14-F136 HydrophobicContact CG2-CD2 3.8Å; V14-F136 HydrophobicContact CG2-CE2 3.47Å; V14-F136 VanDerWaalsContact CG2-CE2 3.47Å; I133-F136 CarbonylContact O-C 3.45Å; I133-F136 PolarHBondContact O-N 3.4Å; F136-I143 HydrophobicContact CB-CD1 4.04Å; F136-I143 HydrophobicContact CB-CG1 3.73Å; F136-I143 HydrophobicContact CD1-CD1 4.38Å; F136-I143 HydrophobicContact CD2-CD1 3.85Å; F136-I143 HydrophobicContact CD2-CG1 4.39Å; F136-I143 HydrophobicContact CE2-CD1 4.4Å; F136-I143 HydrophobicContact CG-CD1 3.84Å; F136-I143 HydrophobicContact CG-CG1 4.11Å | ||
| 137 | Q | 72.5 | Confident | 85.9 | Confident | 115 Ų | 115 | 36.2 Ų | 36.2 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -83.7 | -16.4 | -176.4 | -66.9 | -165.7 | -17.2 | 0 | 0 | 115.2 | R140 | Q137-R140 VanDerWaalsContact O-CG 3.28Å; Q137-R140 WeakPolarHBondContact O-CG 3.49Å; Q137-R140 PolarHBondContact O-NE 3.44Å |
| 138 | N | 77.6 | Confident | 86 | Confident | 146 Ų | 146 | 36.2 Ų | 36.2 | 78% | 0.781 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -93.2 | -16.8 | -172.6 | -68.2 | -6.7 | 0 | 0 | 0 | 114.4 | ||
| 139 | H | 79.3 | Confident | 86.1 | Confident | 119 Ų | 119 | 36.4 Ų | 36.4 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | trans | -134.3 | 55.3 | -176.6 | -61.4 | -58.8 | 0 | 0 | 0 | 110.9 | L142 I143 | H139-L142 HydrophobicContact CB-CB 4.39Å; H139-I143 WeakPolarHBondContact O-CB 3.08Å; H139-I143 WeakPolarHBondContact O-CG1 3.2Å; H139-I143 PolarHBondContact O-N 3.3Å | ||
| 140 | R | 79.4 | Confident | 86.4 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 28% | 0.275 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68 | -44.5 | -166.7 | -52.9 | -171.4 | -168.1 | 178.9 | -3.1 | 112 | Q137 I143 V144 E369 | Q137-R140 VanDerWaalsContact O-CG 3.28Å; Q137-R140 WeakPolarHBondContact O-CG 3.49Å; Q137-R140 PolarHBondContact O-NE 3.44Å; R140-I143 PolarHBondContact O-N 2.87Å; R140-V144 WeakPolarHBondContact O-CB 3.33Å; R140-V144 VanDerWaalsContact O-CG2 3.28Å; R140-V144 WeakPolarHBondContact O-CG2 3.43Å; R140-V144 PolarHBondContact O-N 3.14Å; R140-E369 WeakPolarHBondContact CD-OE1 3.44Å; R140-E369 IonicContact CZ-OE1 3.5Å; R140-E369 IonicContact NE-OE1 3.85Å; R140-E369 IonicContact NH1-OE1 2.67Å; R140-E369 PolarHBondContact NH1-OE1 3.23Å |
| 141 | G | 84 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G145 G305 D309 | G141-G145 PolarHBondContact O-N 3.47Å; G141-G305 CarbonylContact C-O 3.59Å; G141-G305 WeakPolarHBondContact O-CA 3.22Å; G141-D309 VanDerWaalsContact CA-OD1 3.26Å; G141-D309 WeakPolarHBondContact CA-OD1 3.27Å; G141-D309 WeakPolarHBondContact CA-OD2 3.44Å; G141-D309 PolarHBondContact N-OD1 3.16Å; G141-D309 PolarHBondContact N-OD2 3.3Å |
| 142 | L | 87.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 35.6 Ų | 35.6 | 33% | 0.33 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.9 | 179.7 | 62.1 | 0 | 0 | 0 | 112.6 | H139 G145 L146 A306 D309 | H139-L142 HydrophobicContact CB-CB 4.39Å; L142-G145 CarbonylContact O-C 3.56Å; L142-G145 WeakPolarHBondContact O-CA 3.36Å; L142-G145 PolarHBondContact O-N 3.33Å; L142-G145 VanDerWaalsContact O-N 3.15Å; L142-L146 HydrophobicContact CD1-CD1 4.44Å; L142-L146 HydrophobicContact CD1-CG 4.28Å; L142-L146 HydrophobicContact CG-CD1 4.22Å; L142-L146 HydrophobicContact CG-CG 4.47Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 3.2Å; L142-A306 HydrophobicContact CD1-CB 4.49Å; L142-D309 PolarHBondContact N-OD2 2.95Å |
| 143 | I | 87.3 | Confident | 87.7 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | -178.8 | -67.4 | -73.3 | 0 | 0 | 0 | 111.1 | V14 F136 H139 R140 G145 L146 I147 | V14-I143 HydrophobicContact CG2-CD1 4.46Å; F136-I143 HydrophobicContact CB-CD1 4.04Å; F136-I143 HydrophobicContact CB-CG1 3.73Å; F136-I143 HydrophobicContact CD1-CD1 4.38Å; F136-I143 HydrophobicContact CD2-CD1 3.85Å; F136-I143 HydrophobicContact CD2-CG1 4.39Å; F136-I143 HydrophobicContact CE2-CD1 4.4Å; F136-I143 HydrophobicContact CG-CD1 3.84Å; F136-I143 HydrophobicContact CG-CG1 4.11Å; H139-I143 WeakPolarHBondContact O-CB 3.08Å; H139-I143 WeakPolarHBondContact O-CG1 3.2Å; H139-I143 PolarHBondContact O-N 3.3Å; R140-I143 PolarHBondContact O-N 2.87Å; I143-G145 VanDerWaalsContact C-N 3.31Å; I143-G145 PolarHBondContact O-N 2.71Å; I143-L146 PolarHBondContact O-N 3.5Å; I143-I147 HydrophobicContact CG2-CD1 3.6Å; I143-I147 HydrophobicContact CG2-CG1 4.49Å; I143-I147 VanDerWaalsContact O-CD1 3.3Å; I143-I147 WeakPolarHBondContact O-CD1 3.44Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 2.87Å |
| 144 | V | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 169.8 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | I129 I133 R140 L146 I147 V148 P365 | I129-V144 HydrophobicContact CG2-CG2 4.2Å; I133-V144 HydrophobicContact CD1-CG2 3.51Å; I133-V144 HydrophobicContact CG1-CG2 4Å; R140-V144 WeakPolarHBondContact O-CB 3.33Å; R140-V144 VanDerWaalsContact O-CG2 3.28Å; R140-V144 WeakPolarHBondContact O-CG2 3.43Å; R140-V144 PolarHBondContact O-N 3.14Å; V144-L146 VanDerWaalsContact C-N 3.33Å; V144-L146 PolarHBondContact O-N 3.1Å; V144-I147 PolarHBondContact O-N 3.16Å; V144-V148 HydrophobicContact CG1-CG2 4.09Å; V144-V148 WeakPolarHBondContact O-CB 3.14Å; V144-V148 VanDerWaalsContact O-CG2 3.25Å; V144-V148 WeakPolarHBondContact O-CG2 3.44Å; V144-V148 PolarHBondContact O-N 3.39Å; V144-P365 HydrophobicContact CG1-CB 4.35Å; V144-P365 HydrophobicContact CG1-CG 3.81Å |
| 145 | G | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G141 L142 I143 G149 R301 | G141-G145 PolarHBondContact O-N 3.47Å; L142-G145 CarbonylContact O-C 3.56Å; L142-G145 WeakPolarHBondContact O-CA 3.36Å; L142-G145 PolarHBondContact O-N 3.33Å; L142-G145 VanDerWaalsContact O-N 3.15Å; I143-G145 VanDerWaalsContact C-N 3.31Å; I143-G145 PolarHBondContact O-N 2.71Å; G145-G149 VanDerWaalsContact O-CA 3.26Å; G145-G149 WeakPolarHBondContact O-CA 3.22Å; G145-G149 PolarHBondContact O-N 2.75Å; G145-R301 WeakPolarHBondContact CA-O 3.34Å; G145-R301 WeakPolarHBondContact O-CB 3.41Å |
| 146 | L | 93.3 | Very high | 89.8 | Confident | 70 Ų | 70 | 35.5 Ų | 35.5 | 37% | 0.366 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.5 | -48.6 | 177.4 | -71.1 | 172.9 | 0 | 0 | 0 | 112.1 | I18 L142 I143 V144 G149 G150 A302 | I18-L146 HydrophobicContact CD1-CB 4.41Å; L142-L146 HydrophobicContact CD1-CD1 4.44Å; L142-L146 HydrophobicContact CD1-CG 4.28Å; L142-L146 HydrophobicContact CG-CD1 4.22Å; L142-L146 HydrophobicContact CG-CG 4.47Å; L142-L146 WeakPolarHBondContact O-CG 3.44Å; L142-L146 PolarHBondContact O-N 3.2Å; I143-L146 PolarHBondContact O-N 3.5Å; V144-L146 VanDerWaalsContact C-N 3.33Å; V144-L146 PolarHBondContact O-N 3.1Å; L146-G149 WeakPolarHBondContact O-CA 3.3Å; L146-G149 PolarHBondContact O-N 2.93Å; L146-G150 PolarHBondContact O-N 3.47Å; L146-A302 HydrophobicContact CD2-CB 4.23Å |
| 147 | I | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -51.1 | -177.9 | -68 | 160.4 | 0 | 0 | 0 | 110.7 | V14 I18 Q21 I129 I143 V144 G149 G150 | V14-I147 HydrophobicContact CG1-CG1 4.36Å; I18-I147 HydrophobicContact CG1-CG1 4.5Å; Q21-I147 VanDerWaalsContact CB-O 3.25Å; Q21-I147 WeakPolarHBondContact CB-O 3.39Å; Q21-I147 HydrophobicContact CG-CG2 3.68Å; I129-I147 HydrophobicContact CG1-CG2 4.01Å; I143-I147 HydrophobicContact CG2-CD1 3.6Å; I143-I147 HydrophobicContact CG2-CG1 4.49Å; I143-I147 VanDerWaalsContact O-CD1 3.3Å; I143-I147 WeakPolarHBondContact O-CD1 3.44Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 2.87Å; V144-I147 PolarHBondContact O-N 3.16Å; I147-G149 PolarHBondContact O-N 3.36Å; I147-G150 WeakPolarHBondContact O-CA 3.38Å; I147-G150 PolarHBondContact O-N 2.81Å |
| 148 | V | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.7 | -22.8 | 178.5 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | Y125 I129 V144 G150 F151 G152 R301 | Y125-V148 HydrophobicContact CE2-CG1 4.38Å; Y125-V148 WeakPolarHBondContact OH-CG1 3.38Å; I129-V148 HydrophobicContact CD1-CG2 3.63Å; I129-V148 HydrophobicContact CG1-CG2 4.02Å; V144-V148 HydrophobicContact CG1-CG2 4.09Å; V144-V148 WeakPolarHBondContact O-CB 3.14Å; V144-V148 VanDerWaalsContact O-CG2 3.25Å; V144-V148 WeakPolarHBondContact O-CG2 3.44Å; V144-V148 PolarHBondContact O-N 3.39Å; V148-G150 PolarHBondContact O-N 3.32Å; V148-F151 HydrophobicContact CG1-CB 4.27Å; V148-F151 WeakPolarHBondContact O-CA 3.4Å; V148-F151 VanDerWaalsContact O-CB 3.28Å; V148-F151 WeakPolarHBondContact O-CB 3.42Å; V148-F151 PolarHBondContact O-N 2.96Å; V148-G152 PolarHBondContact O-N 3.18Å; V148-R301 WeakPolarHBondContact O-CD 3.44Å |
| 149 | G | 96.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52.7 | -35.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G145 L146 I147 G152 A153 S298 | G145-G149 VanDerWaalsContact O-CA 3.26Å; G145-G149 WeakPolarHBondContact O-CA 3.22Å; G145-G149 PolarHBondContact O-N 2.75Å; L146-G149 WeakPolarHBondContact O-CA 3.3Å; L146-G149 PolarHBondContact O-N 2.93Å; I147-G149 PolarHBondContact O-N 3.36Å; G149-G152 PolarHBondContact O-N 3.29Å; G149-A153 PolarHBondContact O-N 2.86Å; G149-S298 WeakPolarHBondContact O-CB 3.17Å; G149-S298 PolarHBondContact O-OG 3.27Å |
| 150 | G | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.9 | -52.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C22 L146 I147 V148 G152 A153 G154 | C22-G150 WeakPolarHBondContact CA-O 3.43Å; L146-G150 PolarHBondContact O-N 3.47Å; I147-G150 WeakPolarHBondContact O-CA 3.38Å; I147-G150 PolarHBondContact O-N 2.81Å; V148-G150 PolarHBondContact O-N 3.32Å; G150-G152 VanDerWaalsContact C-N 3.3Å; G150-G152 PolarHBondContact O-N 3.42Å; G150-A153 WeakPolarHBondContact O-CA 3.28Å; G150-A153 WeakPolarHBondContact O-CB 3.42Å; G150-A153 PolarHBondContact O-N 3.37Å; G150-G154 PolarHBondContact O-N 2.91Å |
| 151 | F | 96.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | 176.4 | -165.3 | -75.4 | 0 | 0 | 0 | 112.5 | Q21 G25 F27 Y28 F121 Y125 V148 A153 G154 | Q21-F151 HydrophobicContact CB-CB 4.34Å; Q21-F151 WeakPolarHBondContact O-CA 3.25Å; Q21-F151 PolarHBondContact O-N 3.27Å; G25-F151 WeakPolarHBondContact CA-O 3.11Å; F27-F151 HydrophobicContact CB-CZ 4.09Å; F27-F151 AromaticContact CD1-CE1 3.96Å; F27-F151 HydrophobicContact CD1-CE1 3.96Å; F27-F151 AromaticContact CD1-CZ 3.95Å; F27-F151 HydrophobicContact CD1-CZ 3.95Å; F27-F151 HydrophobicContact CG-CZ 4.3Å; Y28-F151 AromaticContact CD2-CD1 3.86Å; Y28-F151 HydrophobicContact CD2-CD1 3.86Å; Y28-F151 AromaticContact CD2-CE1 3.68Å; Y28-F151 HydrophobicContact CD2-CE1 3.68Å; Y28-F151 AromaticContact CE2-CD1 3.48Å; Y28-F151 HydrophobicContact CE2-CD1 3.48Å; Y28-F151 VanDerWaalsContact CE2-CD1 3.48Å; Y28-F151 AromaticContact CE2-CE1 3.35Å; Y28-F151 HydrophobicContact CE2-CE1 3.35Å; F121-F151 HydrophobicContact CD2-CE2 4.16Å; F121-F151 HydrophobicContact CE2-CE2 4.39Å; F121-F151 HydrophobicContact CE2-CZ 4.34Å; Y125-F151 AromaticContact CD2-CD2 3.76Å; Y125-F151 HydrophobicContact CD2-CD2 3.76Å; Y125-F151 AromaticContact CD2-CE2 3.95Å; Y125-F151 HydrophobicContact CD2-CE2 3.95Å; Y125-F151 HydrophobicContact CE2-CB 4.38Å; Y125-F151 AromaticContact CE2-CD2 3.46Å; Y125-F151 HydrophobicContact CE2-CD2 3.46Å; Y125-F151 VanDerWaalsContact CE2-CD2 3.46Å; Y125-F151 AromaticContact CE2-CE2 3.85Å; Y125-F151 HydrophobicContact CE2-CE2 3.85Å; Y125-F151 HydrophobicContact CE2-CG 4.02Å; V148-F151 HydrophobicContact CG1-CB 4.27Å; V148-F151 WeakPolarHBondContact O-CA 3.4Å; V148-F151 VanDerWaalsContact O-CB 3.28Å; V148-F151 WeakPolarHBondContact O-CB 3.42Å; V148-F151 PolarHBondContact O-N 2.96Å; F151-A153 PolarHBondContact O-N 3.17Å; F151-G154 PolarHBondContact O-N 3.3Å |
| 152 | G | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -28.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | V148 G149 G150 N297 | V148-G152 PolarHBondContact O-N 3.18Å; G149-G152 PolarHBondContact O-N 3.29Å; G150-G152 VanDerWaalsContact C-N 3.3Å; G150-G152 PolarHBondContact O-N 3.42Å; G152-N297 WeakPolarHBondContact CA-OD1 3.05Å |
| 153 | A | 97.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 17.3 Ų | 17.3 | 16% | 0.157 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -81.5 | -10.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G149 G150 F151 I156 | G149-A153 PolarHBondContact O-N 2.86Å; G150-A153 WeakPolarHBondContact O-CA 3.28Å; G150-A153 WeakPolarHBondContact O-CB 3.42Å; G150-A153 PolarHBondContact O-N 3.37Å; F151-A153 PolarHBondContact O-N 3.17Å; A153-I156 HydrophobicContact CB-CD1 3.9Å; A153-I156 WeakPolarHBondContact O-CB 3.36Å; A153-I156 WeakPolarHBondContact O-CG1 3.34Å; A153-I156 PolarHBondContact O-N 2.82Å |
| 154 | G | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -47.8 | -53.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C22 G150 F151 I156 I157 F158 | C22-G154 VanDerWaalsContact O-CA 3.31Å; C22-G154 WeakPolarHBondContact O-CA 3.24Å; G150-G154 PolarHBondContact O-N 2.91Å; F151-G154 PolarHBondContact O-N 3.3Å; G154-I156 PolarHBondContact O-N 3.26Å; G154-I156 VanDerWaalsContact O-N 3.12Å; G154-I157 PolarHBondContact O-N 3.43Å; G154-I157 VanDerWaalsContact O-N 3.1Å; G154-F158 WeakPolarHBondContact O-CD2 3.37Å; G154-F158 PolarHBondContact O-N 3.31Å; G154-F158 VanDerWaalsContact O-N 3.12Å |
| 155 | P | 98.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -25.4 | 179.5 | -24.5 | 34.2 | 0 | 0 | 0 | 114.6 | Y28 T29 I157 F158 T159 P160 A294 | Y28-P155 HydrophobicContact CG-CG 4.46Å; T29-P155 HydrophobicContact CG2-CB 4.09Å; T29-P155 HydrophobicContact CG2-CG 4.25Å; P155-I157 PolarHBondContact O-N 3.45Å; P155-F158 PolarHBondContact O-N 3.02Å; P155-T159 WeakPolarHBondContact O-CB 3.38Å; P155-T159 PolarHBondContact O-N 3.22Å; P155-T159 PolarHBondContact O-OG1 3.46Å; P155-P160 WeakPolarHBondContact O-CD 3.23Å; P155-A294 HydrophobicContact CB-CB 3.67Å; P155-A294 HydrophobicContact CG-CB 3.86Å |
| 156 | I | 98.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.6 | -34.7 | 178.3 | -55.6 | 173.5 | 0 | 0 | 0 | 110.9 | A153 G154 P160 V291 A294 V295 | A153-I156 HydrophobicContact CB-CD1 3.9Å; A153-I156 WeakPolarHBondContact O-CB 3.36Å; A153-I156 WeakPolarHBondContact O-CG1 3.34Å; A153-I156 PolarHBondContact O-N 2.82Å; G154-I156 PolarHBondContact O-N 3.26Å; G154-I156 VanDerWaalsContact O-N 3.12Å; I156-P160 WeakPolarHBondContact O-CD 3.46Å; I156-P160 WeakPolarHBondContact O-CG 3.44Å; I156-V291 HydrophobicContact CB-CG1 4.46Å; I156-V291 HydrophobicContact CG1-CG1 4.45Å; I156-V291 HydrophobicContact CG2-CG1 4.27Å; I156-A294 HydrophobicContact CG1-CB 3.93Å; I156-V295 HydrophobicContact CD1-CB 4.42Å; I156-V295 HydrophobicContact CD1-CG2 3.65Å; I156-V295 HydrophobicContact CG1-CG2 4.07Å |
| 157 | I | 97.5 | Very high | 97.4 | Very high | 72 Ų | 72 | 23.3 Ų | 23.3 | 37% | 0.369 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -91 | -50.6 | 178.7 | -57.5 | 179.2 | 0 | 0 | 0 | 110.5 | G154 P155 I161 | G154-I157 PolarHBondContact O-N 3.43Å; G154-I157 VanDerWaalsContact O-N 3.1Å; P155-I157 PolarHBondContact O-N 3.45Å; I157-I161 HydrophobicContact CG2-CD1 4.05Å; I157-I161 WeakPolarHBondContact O-CD1 3.34Å; I157-I161 WeakPolarHBondContact O-CG1 3.38Å |
| 158 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -83.3 | -31 | -165.4 | -59.2 | -62.7 | 0 | 0 | 0 | 113.9 | Y26 T29 G154 P155 I161 Q162 I196 V199 L200 I203 | Y26-F158 HydrophobicContact CD2-CB 3.82Å; Y26-F158 HydrophobicContact CD2-CD1 4.31Å; Y26-F158 AromaticContact CD2-CD2 3.99Å; Y26-F158 HydrophobicContact CD2-CD2 3.99Å; Y26-F158 AromaticContact CD2-CG 3.78Å; Y26-F158 HydrophobicContact CD2-CG 3.78Å; Y26-F158 HydrophobicContact CE2-CB 4.36Å; Y26-F158 HydrophobicContact CG-CD2 4.46Å; T29-F158 HydrophobicContact CG2-CB 3.73Å; G154-F158 WeakPolarHBondContact O-CD2 3.37Å; G154-F158 PolarHBondContact O-N 3.31Å; G154-F158 VanDerWaalsContact O-N 3.12Å; P155-F158 PolarHBondContact O-N 3.02Å; F158-I161 PolarHBondContact O-N 2.94Å; F158-Q162 VanDerWaalsContact O-CG 3.27Å; F158-Q162 WeakPolarHBondContact O-CG 3.25Å; F158-Q162 PolarHBondContact O-N 3.46Å; F158-I196 HydrophobicContact CB-CD1 4.49Å; F158-I196 HydrophobicContact CD1-CD1 4.13Å; F158-V199 HydrophobicContact CE1-CG1 4.05Å; F158-L200 HydrophobicContact CD1-CD2 4.41Å; F158-L200 HydrophobicContact CE1-CD2 3.59Å; F158-L200 HydrophobicContact CE1-CG 4.1Å; F158-L200 HydrophobicContact CE2-CD2 3.76Å; F158-L200 HydrophobicContact CZ-CD2 3.24Å; F158-L200 HydrophobicContact CZ-CG 4.23Å; F158-I203 HydrophobicContact CE1-CD1 4.12Å; F158-I203 HydrophobicContact CZ-CD1 4.03Å |
| 159 | T | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | 179.4 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | T29 N32 P155 I161 Q162 T163 A287 V291 | T29-T159 WeakPolarHBondContact CG2-OG1 3.03Å; N32-T159 HydrophobicContact CB-CG2 4.11Å; P155-T159 WeakPolarHBondContact O-CB 3.38Å; P155-T159 PolarHBondContact O-N 3.22Å; P155-T159 PolarHBondContact O-OG1 3.46Å; T159-I161 PolarHBondContact O-N 3.04Å; T159-Q162 PolarHBondContact O-N 3.43Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 3.44Å; T159-T163 PolarHBondContact O-OG1 2.89Å; T159-A287 HydrophobicContact CG2-CB 4.01Å; T159-V291 HydrophobicContact CG2-CG2 3.95Å |
| 160 | P | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 31% | 0.312 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 172.6 | -26.8 | 36.3 | 0 | 0 | 0 | 112.9 | P155 I156 Q162 T163 I164 V291 | P155-P160 WeakPolarHBondContact O-CD 3.23Å; I156-P160 WeakPolarHBondContact O-CD 3.46Å; I156-P160 WeakPolarHBondContact O-CG 3.44Å; P160-Q162 PolarHBondContact O-N 2.8Å; P160-T163 PolarHBondContact O-N 3.06Å; P160-I164 VanDerWaalsContact O-CB 3.29Å; P160-I164 WeakPolarHBondContact O-CB 3.28Å; P160-I164 VanDerWaalsContact O-CG1 3.27Å; P160-I164 WeakPolarHBondContact O-CG1 3.42Å; P160-I164 PolarHBondContact O-N 2.91Å; P160-V291 HydrophobicContact CG-CG2 3.89Å |
| 161 | I | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 178.1 | -65.6 | 170.2 | 0 | 0 | 0 | 110.3 | I157 F158 T159 Y165 L195 I196 | I157-I161 HydrophobicContact CG2-CD1 4.05Å; I157-I161 WeakPolarHBondContact O-CD1 3.34Å; I157-I161 WeakPolarHBondContact O-CG1 3.38Å; F158-I161 PolarHBondContact O-N 2.94Å; T159-I161 PolarHBondContact O-N 3.04Å; I161-Y165 WeakPolarHBondContact O-CB 3.48Å; I161-Y165 PolarHBondContact O-N 2.98Å; I161-L195 HydrophobicContact CG2-CD2 3.86Å; I161-L195 HydrophobicContact CG2-CG 4.4Å; I161-I196 HydrophobicContact CB-CD1 4.35Å; I161-I196 HydrophobicContact CG2-CD1 3.86Å |
| 162 | Q | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 177.6 | -72.6 | 166.7 | -12.5 | 0 | 0 | 111.9 | Y26 T29 N32 M33 F158 T159 P160 Y165 I166 V192 I196 | Y26-Q162 PolarHBondContact OH-NE2 2.92Å; T29-Q162 PolarHBondContact OG1-NE2 3.41Å; N32-Q162 PolarHBondContact ND2-OE1 3.36Å; M33-Q162 HydrophobicContact SD-CB 4.13Å; M33-Q162 VanDerWaalsContact SD-CD 3.58Å; M33-Q162 HydrophobicContact SD-CG 3.82Å; F158-Q162 VanDerWaalsContact O-CG 3.27Å; F158-Q162 WeakPolarHBondContact O-CG 3.25Å; F158-Q162 PolarHBondContact O-N 3.46Å; T159-Q162 PolarHBondContact O-N 3.43Å; P160-Q162 PolarHBondContact O-N 2.8Å; Q162-Y165 PolarHBondContact O-N 3.42Å; Q162-I166 HydrophobicContact CB-CD1 4.48Å; Q162-I166 WeakPolarHBondContact O-CB 3.33Å; Q162-I166 VanDerWaalsContact O-CG1 3.22Å; Q162-I166 WeakPolarHBondContact O-CG1 3.42Å; Q162-I166 PolarHBondContact O-N 2.87Å; Q162-V192 HydrophobicContact CB-CG2 4.45Å; Q162-V192 HydrophobicContact CG-CG2 4.23Å; Q162-I196 HydrophobicContact CG-CD1 4.13Å; Q162-I196 HydrophobicContact CG-CG1 4.3Å |
| 163 | T | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -44.3 | -171.6 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | N32 T159 P160 Y165 N167 A287 | N32-T163 PolarHBondContact ND2-OG1 2.96Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 3.44Å; T159-T163 PolarHBondContact O-OG1 2.89Å; P160-T163 PolarHBondContact O-N 3.06Å; T163-Y165 VanDerWaalsContact C-N 3.32Å; T163-Y165 PolarHBondContact O-N 3.24Å; T163-N167 CarbonylContact O-C 3.27Å; T163-N167 VanDerWaalsContact O-C 3.27Å; T163-N167 WeakPolarHBondContact O-CA 3.42Å; T163-N167 PolarHBondContact O-N 3.04Å; T163-A287 HydrophobicContact CG2-CB 3.73Å; T163-A287 WeakPolarHBondContact OG1-CB 3.47Å |
| 164 | I | 98.1 | Very high | 97.7 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 60% | 0.6 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.5 | -38 | 176.9 | -67.3 | 168.9 | 0 | 0 | 0 | 110.6 | P160 P168 | P160-I164 VanDerWaalsContact O-CB 3.29Å; P160-I164 WeakPolarHBondContact O-CB 3.28Å; P160-I164 VanDerWaalsContact O-CG1 3.27Å; P160-I164 WeakPolarHBondContact O-CG1 3.42Å; P160-I164 PolarHBondContact O-N 2.91Å; I164-P168 WeakPolarHBondContact O-CA 3.31Å; I164-P168 VanDerWaalsContact O-CB 3.24Å; I164-P168 WeakPolarHBondContact O-CB 3.28Å; I164-P168 WeakPolarHBondContact O-CD 3.41Å |
| 165 | Y | 98.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -48.9 | 179.4 | -175.1 | -92.1 | 0 | 0 | 0 | 112.2 | I161 Q162 T163 R188 S191 V192 L195 | I161-Y165 WeakPolarHBondContact O-CB 3.48Å; I161-Y165 PolarHBondContact O-N 2.98Å; Q162-Y165 PolarHBondContact O-N 3.42Å; T163-Y165 VanDerWaalsContact C-N 3.32Å; T163-Y165 PolarHBondContact O-N 3.24Å; Y165-R188 HydrophobicContact CD1-CB 4.44Å; Y165-R188 HydrophobicContact CE1-CB 4.15Å; Y165-R188 WeakPolarHBondContact O-CD 3.31Å; Y165-S191 WeakPolarHBondContact CE1-OG 3.37Å; Y165-S191 WeakPolarHBondContact OH-CB 3.37Å; Y165-S191 PolarHBondContact OH-OG 3.5Å; Y165-V192 HydrophobicContact CD1-CB 3.82Å; Y165-V192 HydrophobicContact CD1-CG2 3.76Å; Y165-V192 HydrophobicContact CE1-CB 4.09Å; Y165-V192 HydrophobicContact CE1-CG2 4.46Å; Y165-V192 HydrophobicContact CG-CG2 4.32Å; Y165-L195 HydrophobicContact CD2-CD2 3.62Å; Y165-L195 HydrophobicContact CE2-CD2 4.06Å; Y165-L195 HydrophobicContact CG-CD2 3.94Å |
| 166 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.7 | -49.6 | -176.1 | -62.7 | 167.8 | 0 | 0 | 0 | 110.8 | M33 Y36 Q162 P168 L185 V189 V192 | M33-I166 HydrophobicContact CE-CD1 3.95Å; M33-I166 HydrophobicContact SD-CD1 3.77Å; Y36-I166 HydrophobicContact CD1-CG2 3.78Å; Y36-I166 HydrophobicContact CD2-CD1 3.54Å; Y36-I166 HydrophobicContact CD2-CG2 4.29Å; Y36-I166 HydrophobicContact CE1-CG2 3.89Å; Y36-I166 HydrophobicContact CE2-CB 4.49Å; Y36-I166 HydrophobicContact CE2-CD1 3.87Å; Y36-I166 HydrophobicContact CE2-CG2 4.38Å; Y36-I166 HydrophobicContact CG-CD1 4.08Å; Y36-I166 HydrophobicContact CG-CG2 3.99Å; Q162-I166 HydrophobicContact CB-CD1 4.48Å; Q162-I166 WeakPolarHBondContact O-CB 3.33Å; Q162-I166 VanDerWaalsContact O-CG1 3.22Å; Q162-I166 WeakPolarHBondContact O-CG1 3.42Å; Q162-I166 PolarHBondContact O-N 2.87Å; I166-P168 WeakPolarHBondContact O-CD 3.48Å; I166-L185 HydrophobicContact CG2-CD2 3.83Å; I166-L185 HydrophobicContact CG2-CG 3.96Å; I166-V189 HydrophobicContact CG2-CG2 4.01Å; I166-V192 HydrophobicContact CD1-CB 4.18Å; I166-V192 HydrophobicContact CD1-CG1 3.96Å; I166-V192 HydrophobicContact CD1-CG2 4.1Å; I166-V192 HydrophobicContact CG1-CB 4.08Å; I166-V192 HydrophobicContact CG1-CG1 4.37Å; I166-V192 HydrophobicContact CG1-CG2 4.05Å |
| 167 | N | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | trans | -128.4 | 63.6 | -172.9 | -169 | 11.9 | 0 | 0 | 0 | 112.7 | Y36 T163 N169 N170 I171 L185 D283 | Y36-N167 HydrophobicContact CE1-CB 4.47Å; T163-N167 CarbonylContact O-C 3.27Å; T163-N167 VanDerWaalsContact O-C 3.27Å; T163-N167 WeakPolarHBondContact O-CA 3.42Å; T163-N167 PolarHBondContact O-N 3.04Å; N167-N169 PolarHBondContact O-N 3.41Å; N167-N170 PolarHBondContact O-N 3.4Å; N167-N170 PolarHBondContact OD1-N 2.97Å; N167-I171 PolarHBondContact ND2-N 3.19Å; N167-I171 PolarHBondContact ND2-O 2.93Å; N167-I171 WeakPolarHBondContact OD1-CB 3.27Å; N167-I171 PolarHBondContact OD1-N 3.42Å; N167-L185 HydrophobicContact CB-CD1 3.74Å; N167-L185 HydrophobicContact CB-CG 4.26Å; N167-L185 VanDerWaalsContact CG-CD1 3.48Å; N167-D283 PolarHBondContact ND2-OD2 2.85Å | ||
| 168 | P | 97.2 | Very high | 96.7 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.6 | -175.6 | 21.9 | -31.7 | 0 | 0 | 0 | 113.8 | I164 I166 N170 | I164-P168 WeakPolarHBondContact O-CA 3.31Å; I164-P168 VanDerWaalsContact O-CB 3.24Å; I164-P168 WeakPolarHBondContact O-CB 3.28Å; I164-P168 WeakPolarHBondContact O-CD 3.41Å; I166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-N170 VanDerWaalsContact C-N 3.34Å |
| 169 | N | 97.1 | Very high | 96.5 | Very high | 132 Ų | 132 | 61 Ų | 61 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.9 | -175.2 | -63.9 | -28.4 | 0 | 0 | 0 | 113 | N167 I171 | N167-N169 PolarHBondContact O-N 3.41Å; N169-I171 HydrophobicContact CB-CG1 4.23Å; N169-I171 PolarHBondContact O-N 3.26Å |
| 170 | N | 97 | Very high | 96.5 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | trans | 49.3 | 46.4 | -175 | -163.9 | 33.4 | 0 | 0 | 0 | 112.4 | N167 P168 K172 D282 D283 R284 | N167-N170 PolarHBondContact O-N 3.4Å; N167-N170 PolarHBondContact OD1-N 2.97Å; P168-N170 VanDerWaalsContact C-N 3.34Å; N170-K172 PolarHBondContact O-N 3.25Å; N170-D282 PolarHBondContact ND2-OD1 3.09Å; N170-D283 PolarHBondContact OD1-N 3.35Å; N170-R284 HydrophobicContact CB-CB 4.2Å; N170-R284 VanDerWaalsContact CG-CB 3.49Å; N170-R284 VanDerWaalsContact OD1-CB 3.29Å; N170-R284 WeakPolarHBondContact OD1-CB 3.47Å; N170-R284 PolarHBondContact OD1-N 3.42Å | ||
| 171 | I | 97.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 131.6 | 174.1 | -58.8 | 177.4 | 0 | 0 | 0 | 107.5 | N167 N169 F180 D182 L185 | N167-I171 PolarHBondContact ND2-N 3.19Å; N167-I171 PolarHBondContact ND2-O 2.93Å; N167-I171 WeakPolarHBondContact OD1-CB 3.27Å; N167-I171 PolarHBondContact OD1-N 3.42Å; N169-I171 HydrophobicContact CB-CG1 4.23Å; N169-I171 PolarHBondContact O-N 3.26Å; I171-F180 WeakPolarHBondContact O-CE1 3.34Å; I171-D182 HydrophobicContact CD1-CB 3.97Å; I171-D182 VanDerWaalsContact CD1-CG 3.49Å; I171-D182 VanDerWaalsContact CD1-OD2 3.3Å; I171-D182 WeakPolarHBondContact CD1-OD2 3.49Å; I171-D182 HydrophobicContact CG2-CB 4.07Å; I171-L185 HydrophobicContact CB-CD1 4.24Å |
| 172 | K | 96.1 | Very high | 96.2 | Very high | 139 Ų | 139 | 64 Ų | 64 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -80 | 154 | -179.3 | -72.2 | -177.4 | -178.3 | 177.9 | 0 | 110.5 | N170 N281 | N170-K172 PolarHBondContact O-N 3.25Å; K172-N281 VanDerWaalsContact CB-OD1 3.27Å; K172-N281 WeakPolarHBondContact CB-OD1 3.28Å |
| 173 | I | 96.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 153 | 168.5 | 54 | 164.6 | 0 | 0 | 0 | 109.8 | K178 R179 F180 K277 N281 | I173-K178 HydrophobicContact CD1-CB 4.25Å; I173-K178 HydrophobicContact CD1-CD 4.17Å; I173-R179 WeakPolarHBondContact CA-O 3.41Å; I173-F180 HydrophobicContact CG2-CD1 3.7Å; I173-F180 HydrophobicContact CG2-CD2 4.08Å; I173-F180 HydrophobicContact CG2-CE1 3.53Å; I173-F180 HydrophobicContact CG2-CE2 3.93Å; I173-F180 HydrophobicContact CG2-CG 3.97Å; I173-F180 HydrophobicContact CG2-CZ 3.65Å; I173-K277 HydrophobicContact CD1-CB 4.13Å; I173-K277 HydrophobicContact CD1-CD 4.48Å; I173-K277 HydrophobicContact CD1-CG 4.47Å; I173-K277 WeakPolarHBondContact CD1-O 3.15Å; I173-N281 HydrophobicContact CG1-CB 4.44Å; I173-N281 WeakPolarHBondContact CG1-OD1 3.01Å; I173-N281 PolarHBondContact N-OD1 2.84Å; I173-N281 PolarHBondContact O-ND2 3.34Å |
| 174 | D | 95.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 135.6 | 170.5 | 176.4 | -93.9 | 0 | 0 | 0 | 110.4 | K176 T177 K178 R179 | D174-K176 VanDerWaalsContact C-N 3.26Å; D174-K176 PolarHBondContact O-N 3.05Å; D174-K176 WeakPolarHBondContact OD1-CA 3.3Å; D174-K176 VanDerWaalsContact OD1-CB 3.28Å; D174-K176 WeakPolarHBondContact OD1-CB 3.45Å; D174-K176 PolarHBondContact OD1-N 3.27Å; D174-T177 WeakPolarHBondContact CB-OG1 3.34Å; D174-T177 PolarHBondContact OD1-N 3.41Å; D174-T177 PolarHBondContact OD1-OG1 3.12Å; D174-K178 WeakPolarHBondContact O-CA 3.12Å; D174-K178 PolarHBondContact O-N 3.22Å; D174-R179 PolarHBondContact N-O 3.23Å |
| 175 | D | 91.8 | Very high | 96.1 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -22.1 | -173.1 | -76.4 | -37.6 | 0 | 0 | 0 | 113 | K178 N281 | D175-K178 WeakPolarHBondContact O-CE 3.42Å; D175-K178 PolarHBondContact O-NZ 3.41Å; D175-N281 PolarHBondContact OD1-ND2 2.93Å |
| 176 | K | 92.9 | Very high | 96.1 | Very high | 193 Ų | 193 | 60.4 Ų | 60.4 | 84% | 0.839 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -52.4 | 179.3 | -59.6 | 178.6 | 179.3 | 176.2 | 0 | 111.3 | D174 | D174-K176 VanDerWaalsContact C-N 3.26Å; D174-K176 PolarHBondContact O-N 3.05Å; D174-K176 WeakPolarHBondContact OD1-CA 3.3Å; D174-K176 VanDerWaalsContact OD1-CB 3.28Å; D174-K176 WeakPolarHBondContact OD1-CB 3.45Å; D174-K176 PolarHBondContact OD1-N 3.27Å |
| 177 | T | 92.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 64.6 Ų | 64.6 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -20.1 | -176 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | D174 R179 E181 | D174-T177 WeakPolarHBondContact CB-OG1 3.34Å; D174-T177 PolarHBondContact OD1-N 3.41Å; D174-T177 PolarHBondContact OD1-OG1 3.12Å; T177-R179 VanDerWaalsContact C-N 3.27Å; T177-R179 WeakPolarHBondContact O-CG 3.24Å; T177-R179 PolarHBondContact O-N 3.27Å; T177-R179 PolarHBondContact OG1-N 2.84Å; T177-E181 WeakPolarHBondContact CB-OE1 3.44Å; T177-E181 WeakPolarHBondContact CG2-OE1 3.39Å; T177-E181 PolarHBondContact OG1-OE1 3.06Å |
| 178 | K | 93.8 | Very high | 96.1 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | trans | 60.9 | 31.9 | -173.8 | -55.7 | -59.1 | -173.1 | -164 | 0 | 113.4 | I173 D174 D175 K277 | I173-K178 HydrophobicContact CD1-CB 4.25Å; I173-K178 HydrophobicContact CD1-CD 4.17Å; D174-K178 WeakPolarHBondContact O-CA 3.12Å; D174-K178 PolarHBondContact O-N 3.22Å; D175-K178 WeakPolarHBondContact O-CE 3.42Å; D175-K178 PolarHBondContact O-NZ 3.41Å; K178-K277 WeakPolarHBondContact O-CE 3.47Å; K178-K277 PolarHBondContact O-NZ 2.82Å | ||
| 179 | R | 95 | Very high | 96.1 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -131.5 | 158.2 | -174.7 | -65.4 | -173.5 | 176.8 | -112 | 15.4 | 113.2 | D39 D50 I173 D174 T177 | D39-R179 WeakPolarHBondContact OD1-CD 3.32Å; D39-R179 WeakPolarHBondContact OD1-CG 3.25Å; D39-R179 IonicContact OD1-CZ 3.75Å; D39-R179 IonicContact OD1-NE 2.66Å; D39-R179 IonicContact OD1-NH1 3.64Å; D39-R179 PolarHBondContact OD1-NH1 3.17Å; D39-R179 WeakPolarHBondContact OD2-CA 3.4Å; D50-R179 IonicContact OD1-CZ 2.88Å; D50-R179 IonicContact OD1-NH1 3.81Å; D50-R179 IonicContact OD1-NH2 3.48Å; D50-R179 PolarHBondContact OD1-NH2 3.48Å; D50-R179 IonicContact OD2-NH2 3.69Å; D50-R179 PolarHBondContact OD2-NH2 3.37Å; I173-R179 WeakPolarHBondContact CA-O 3.41Å; D174-R179 PolarHBondContact N-O 3.23Å; T177-R179 VanDerWaalsContact C-N 3.27Å; T177-R179 WeakPolarHBondContact O-CG 3.24Å; T177-R179 PolarHBondContact O-N 3.27Å; T177-R179 PolarHBondContact OG1-N 2.84Å |
| 180 | F | 97 | Very high | 96.2 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | trans | -77 | 123.3 | 166.4 | -60.9 | -70.9 | 0 | 0 | 0 | 109.5 | P35 Y36 D39 I171 I173 L185 I186 D283 | P35-F180 HydrophobicContact CB-CE2 4.35Å; Y36-F180 AromaticContact CD1-CD2 3.99Å; Y36-F180 HydrophobicContact CD1-CD2 3.99Å; Y36-F180 AromaticContact CD1-CE2 3.84Å; Y36-F180 HydrophobicContact CD1-CE2 3.84Å; Y36-F180 HydrophobicContact CE1-CD2 4.21Å; Y36-F180 AromaticContact CE1-CE2 3.69Å; Y36-F180 HydrophobicContact CE1-CE2 3.69Å; Y36-F180 HydrophobicContact CE1-CZ 4.02Å; D39-F180 HydrophobicContact CB-CB 4.28Å; D39-F180 VanDerWaalsContact OD2-CD2 3.26Å; D39-F180 WeakPolarHBondContact OD2-CD2 3.41Å; D39-F180 PolarHBondContact OD2-N 3.02Å; I171-F180 WeakPolarHBondContact O-CE1 3.34Å; I173-F180 HydrophobicContact CG2-CD1 3.7Å; I173-F180 HydrophobicContact CG2-CD2 4.08Å; I173-F180 HydrophobicContact CG2-CE1 3.53Å; I173-F180 HydrophobicContact CG2-CE2 3.93Å; I173-F180 HydrophobicContact CG2-CG 3.97Å; I173-F180 HydrophobicContact CG2-CZ 3.65Å; F180-L185 HydrophobicContact CB-CD1 4.32Å; F180-L185 HydrophobicContact CB-CD2 3.98Å; F180-L185 HydrophobicContact CD1-CD1 3.67Å; F180-L185 HydrophobicContact CE1-CD1 4.2Å; F180-L185 HydrophobicContact CG-CD1 4.05Å; F180-L185 HydrophobicContact CG-CD2 4.15Å; F180-I186 HydrophobicContact CB-CD1 4.24Å; F180-D283 HydrophobicContact CE1-CB 4.2Å; F180-D283 HydrophobicContact CZ-CB 3.86Å | ||
| 181 | E | 95.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | trans | -115.2 | -6.5 | 179.1 | -62.8 | -177.6 | -179 | 0 | 0 | 112.4 | T177 A183 | T177-E181 WeakPolarHBondContact CB-OE1 3.44Å; T177-E181 WeakPolarHBondContact CG2-OE1 3.39Å; T177-E181 PolarHBondContact OG1-OE1 3.06Å; E181-A183 PolarHBondContact O-N 2.91Å | ||
| 182 | D | 96.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | trans | -65.9 | 119.3 | 178.9 | 180 | 73.2 | 0 | 0 | 0 | 111.6 | I171 D184 L185 I186 | I171-D182 HydrophobicContact CD1-CB 3.97Å; I171-D182 VanDerWaalsContact CD1-CG 3.49Å; I171-D182 VanDerWaalsContact CD1-OD2 3.3Å; I171-D182 WeakPolarHBondContact CD1-OD2 3.49Å; I171-D182 HydrophobicContact CG2-CB 4.07Å; D182-D184 VanDerWaalsContact C-N 3.32Å; D182-D184 PolarHBondContact O-N 3.33Å; D182-D184 PolarHBondContact OD2-N 3.32Å; D182-L185 HydrophobicContact CB-CB 4.11Å; D182-L185 PolarHBondContact O-N 3.06Å; D182-L185 WeakPolarHBondContact OD2-CB 3.2Å; D182-L185 PolarHBondContact OD2-N 2.7Å; D182-I186 VanDerWaalsContact O-CG1 3.26Å; D182-I186 WeakPolarHBondContact O-CG1 3.39Å; D182-I186 PolarHBondContact O-N 3.28Å | ||
| 183 | A | 97.2 | Very high | 96.5 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -38.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y43 E181 I186 N187 | Y43-A183 HydrophobicContact CE2-CB 4.43Å; Y43-A183 WeakPolarHBondContact OH-CB 3.22Å; E181-A183 PolarHBondContact O-N 2.91Å; A183-I186 PolarHBondContact O-N 3Å; A183-N187 VanDerWaalsContact O-CB 3.25Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 3.41Å; A183-N187 PolarHBondContact O-ND2 3.22Å |
| 184 | D | 97.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 55% | 0.551 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.7 | -42.8 | -178.2 | -77 | -18.9 | 0 | 0 | 0 | 111.7 | D182 R188 | D182-D184 VanDerWaalsContact C-N 3.32Å; D182-D184 PolarHBondContact O-N 3.33Å; D182-D184 PolarHBondContact OD2-N 3.32Å; D184-R188 WeakPolarHBondContact O-CD 3.46Å; D184-R188 VanDerWaalsContact O-CG 3.28Å; D184-R188 WeakPolarHBondContact O-CG 3.24Å; D184-R188 PolarHBondContact O-N 2.88Å; D184-R188 PolarHBondContact O-NE 3.01Å |
| 185 | L | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -52.3 | 172.5 | -178 | 162 | 0 | 0 | 0 | 110.7 | Y36 I166 N167 I171 F180 D182 N187 R188 | Y36-L185 HydrophobicContact CD1-CD2 4.14Å; I166-L185 HydrophobicContact CG2-CD2 3.83Å; I166-L185 HydrophobicContact CG2-CG 3.96Å; N167-L185 HydrophobicContact CB-CD1 3.74Å; N167-L185 HydrophobicContact CB-CG 4.26Å; N167-L185 VanDerWaalsContact CG-CD1 3.48Å; I171-L185 HydrophobicContact CB-CD1 4.24Å; F180-L185 HydrophobicContact CB-CD1 4.32Å; F180-L185 HydrophobicContact CB-CD2 3.98Å; F180-L185 HydrophobicContact CD1-CD1 3.67Å; F180-L185 HydrophobicContact CE1-CD1 4.2Å; F180-L185 HydrophobicContact CG-CD1 4.05Å; F180-L185 HydrophobicContact CG-CD2 4.15Å; D182-L185 HydrophobicContact CB-CB 4.11Å; D182-L185 PolarHBondContact O-N 3.06Å; D182-L185 WeakPolarHBondContact OD2-CB 3.2Å; D182-L185 PolarHBondContact OD2-N 2.7Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.95Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-R188 VanDerWaalsContact O-N 3.14Å |
| 186 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | -177 | -67 | -64.4 | 0 | 0 | 0 | 111.2 | D39 Y40 Y43 F180 D182 A183 R188 V189 | D39-I186 HydrophobicContact CB-CD1 3.97Å; Y40-I186 HydrophobicContact CD2-CG2 3.68Å; Y40-I186 WeakPolarHBondContact CD2-O 3.28Å; Y40-I186 HydrophobicContact CE2-CG2 4.35Å; Y40-I186 HydrophobicContact CG-CG2 4.41Å; Y43-I186 HydrophobicContact CD1-CG2 3.9Å; Y43-I186 HydrophobicContact CD2-CG1 4.42Å; Y43-I186 HydrophobicContact CG-CB 4.5Å; Y43-I186 HydrophobicContact CG-CG1 4.44Å; Y43-I186 HydrophobicContact CG-CG2 3.89Å; F180-I186 HydrophobicContact CB-CD1 4.24Å; D182-I186 VanDerWaalsContact O-CG1 3.26Å; D182-I186 WeakPolarHBondContact O-CG1 3.39Å; D182-I186 PolarHBondContact O-N 3.28Å; A183-I186 PolarHBondContact O-N 3Å; I186-R188 PolarHBondContact O-N 3.46Å; I186-V189 WeakPolarHBondContact O-CB 3.36Å; I186-V189 WeakPolarHBondContact O-CG2 3.48Å; I186-V189 PolarHBondContact O-N 3.3Å; I186-V189 VanDerWaalsContact O-N 3.16Å |
| 187 | N | 97.7 | Very high | 97.3 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.6 | -19.8 | 179.2 | -75.7 | -32.9 | 0 | 0 | 0 | 113.9 | A183 L185 | A183-N187 VanDerWaalsContact O-CB 3.25Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 3.41Å; A183-N187 PolarHBondContact O-ND2 3.22Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.95Å |
| 188 | R | 98.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 37.2 Ų | 37.2 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -84.2 | -16.2 | 175.8 | -67 | 168.6 | -165.7 | -172.4 | 5.1 | 113.6 | Y165 D184 L185 I186 S191 V192 | Y165-R188 HydrophobicContact CD1-CB 4.44Å; Y165-R188 HydrophobicContact CE1-CB 4.15Å; Y165-R188 WeakPolarHBondContact O-CD 3.31Å; D184-R188 WeakPolarHBondContact O-CD 3.46Å; D184-R188 VanDerWaalsContact O-CG 3.28Å; D184-R188 WeakPolarHBondContact O-CG 3.24Å; D184-R188 PolarHBondContact O-N 2.88Å; D184-R188 PolarHBondContact O-NE 3.01Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-R188 VanDerWaalsContact O-N 3.14Å; I186-R188 PolarHBondContact O-N 3.46Å; R188-S191 PolarHBondContact O-N 3.4Å; R188-S191 PolarHBondContact O-OG 2.85Å; R188-S191 VanDerWaalsContact O-OG 3.1Å; R188-V192 PolarHBondContact O-N 3.05Å |
| 189 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | -176.8 | -178 | 0 | 0 | 0 | 0 | 112.2 | M33 Y40 L102 I166 I186 V192 F193 | M33-V189 HydrophobicContact CE-CG1 4.34Å; Y40-V189 HydrophobicContact CD2-CB 4.1Å; L102-V189 HydrophobicContact CD2-CB 4.46Å; L102-V189 HydrophobicContact CD2-CG1 3.84Å; I166-V189 HydrophobicContact CG2-CG2 4.01Å; I186-V189 WeakPolarHBondContact O-CB 3.36Å; I186-V189 WeakPolarHBondContact O-CG2 3.48Å; I186-V189 PolarHBondContact O-N 3.3Å; I186-V189 VanDerWaalsContact O-N 3.16Å; V189-V192 WeakPolarHBondContact O-CG1 3.2Å; V189-F193 WeakPolarHBondContact O-CD2 3.39Å |
| 190 | P | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.9 | -22 | 33.3 | 0 | 0 | 0 | 113.1 | Y40 Y99 L102 R103 V192 F193 | Y40-P190 HydrophobicContact CD2-CG 4.23Å; Y40-P190 HydrophobicContact CE2-CG 3.51Å; Y99-P190 HydrophobicContact CD2-CB 3.92Å; Y99-P190 WeakPolarHBondContact CD2-O 3.23Å; Y99-P190 HydrophobicContact CE2-CB 4.19Å; L102-P190 HydrophobicContact CD2-CB 4.13Å; L102-P190 HydrophobicContact CD2-CG 3.78Å; R103-P190 HydrophobicContact CG-CG 4.47Å; P190-V192 PolarHBondContact O-N 3.24Å; P190-F193 WeakPolarHBondContact O-CB 3.4Å; P190-F193 WeakPolarHBondContact O-CD2 3.31Å; P190-F193 PolarHBondContact O-N 2.9Å |
| 191 | S | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -21.8 | -171.3 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | Y165 R188 F193 L194 L195 | Y165-S191 WeakPolarHBondContact CE1-OG 3.37Å; Y165-S191 WeakPolarHBondContact OH-CB 3.37Å; Y165-S191 PolarHBondContact OH-OG 3.5Å; R188-S191 PolarHBondContact O-N 3.4Å; R188-S191 PolarHBondContact O-OG 2.85Å; R188-S191 VanDerWaalsContact O-OG 3.1Å; S191-F193 PolarHBondContact O-N 2.81Å; S191-L194 PolarHBondContact O-N 2.99Å; S191-L194 VanDerWaalsContact O-N 3.16Å; S191-L195 PolarHBondContact O-N 3.33Å |
| 192 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -31.3 | 172.9 | 85.2 | 0 | 0 | 0 | 0 | 112.2 | M33 Q162 Y165 I166 R188 V189 P190 L195 I196 | M33-V192 HydrophobicContact CE-CG1 3.66Å; M33-V192 HydrophobicContact SD-CG1 4.29Å; Q162-V192 HydrophobicContact CB-CG2 4.45Å; Q162-V192 HydrophobicContact CG-CG2 4.23Å; Y165-V192 HydrophobicContact CD1-CB 3.82Å; Y165-V192 HydrophobicContact CD1-CG2 3.76Å; Y165-V192 HydrophobicContact CE1-CB 4.09Å; Y165-V192 HydrophobicContact CE1-CG2 4.46Å; Y165-V192 HydrophobicContact CG-CG2 4.32Å; I166-V192 HydrophobicContact CD1-CB 4.18Å; I166-V192 HydrophobicContact CD1-CG1 3.96Å; I166-V192 HydrophobicContact CD1-CG2 4.1Å; I166-V192 HydrophobicContact CG1-CB 4.08Å; I166-V192 HydrophobicContact CG1-CG1 4.37Å; I166-V192 HydrophobicContact CG1-CG2 4.05Å; R188-V192 PolarHBondContact O-N 3.05Å; V189-V192 WeakPolarHBondContact O-CG1 3.2Å; P190-V192 PolarHBondContact O-N 3.24Å; V192-L195 PolarHBondContact O-N 2.94Å; V192-I196 HydrophobicContact CG2-CG1 4.3Å; V192-I196 WeakPolarHBondContact O-CB 3.06Å; V192-I196 VanDerWaalsContact O-CG1 3.25Å; V192-I196 WeakPolarHBondContact O-CG1 3.18Å; V192-I196 PolarHBondContact O-N 3.44Å |
| 193 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -35.7 | 179.2 | -69.8 | -70.2 | 0 | 0 | 0 | 112.1 | M33 I37 I95 L102 Y113 V189 P190 S191 G197 | M33-F193 HydrophobicContact CE-CE1 4.23Å; M33-F193 HydrophobicContact CE-CE2 4.17Å; M33-F193 HydrophobicContact CE-CZ 3.72Å; I37-F193 HydrophobicContact CD1-CZ 4.09Å; I37-F193 HydrophobicContact CG1-CZ 4.3Å; I95-F193 HydrophobicContact CG2-CD1 4.32Å; I95-F193 WeakPolarHBondContact O-CB 3.23Å; L102-F193 HydrophobicContact CD2-CD2 4.43Å; L102-F193 HydrophobicContact CD2-CE2 3.85Å; Y113-F193 HydrophobicContact CD2-CD1 4.11Å; Y113-F193 AromaticContact CD2-CE1 3.67Å; Y113-F193 HydrophobicContact CD2-CE1 3.67Å; Y113-F193 HydrophobicContact CE1-CE1 4.34Å; Y113-F193 AromaticContact CE2-CD1 3.93Å; Y113-F193 HydrophobicContact CE2-CD1 3.93Å; Y113-F193 AromaticContact CE2-CE1 3.39Å; Y113-F193 HydrophobicContact CE2-CE1 3.39Å; Y113-F193 HydrophobicContact CE2-CZ 4.49Å; Y113-F193 HydrophobicContact CG-CE1 4.3Å; Y113-F193 AromaticContact CZ-CE1 3.78Å; V189-F193 WeakPolarHBondContact O-CD2 3.39Å; P190-F193 WeakPolarHBondContact O-CB 3.4Å; P190-F193 WeakPolarHBondContact O-CD2 3.31Å; P190-F193 PolarHBondContact O-N 2.9Å; S191-F193 PolarHBondContact O-N 2.81Å; F193-G197 PolarHBondContact O-N 3.15Å |
| 194 | L | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 34% | 0.34 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 173 | -64.3 | 179.1 | 0 | 0 | 0 | 110.9 | T96 Y99 S191 G197 G198 | T96-L194 HydrophobicContact CG2-CD2 3.67Å; Y99-L194 HydrophobicContact CD1-CD1 3.9Å; Y99-L194 HydrophobicContact CD1-CD2 3.99Å; Y99-L194 HydrophobicContact CD1-CG 4.08Å; Y99-L194 HydrophobicContact CD2-CD1 3.64Å; Y99-L194 HydrophobicContact CD2-CD2 4.39Å; Y99-L194 HydrophobicContact CD2-CG 3.67Å; Y99-L194 HydrophobicContact CE1-CD1 3.93Å; Y99-L194 HydrophobicContact CE2-CD1 3.69Å; Y99-L194 HydrophobicContact CE2-CG 4.25Å; Y99-L194 HydrophobicContact CG-CD1 3.74Å; Y99-L194 HydrophobicContact CG-CD2 3.77Å; Y99-L194 HydrophobicContact CG-CG 3.56Å; S191-L194 PolarHBondContact O-N 2.99Å; S191-L194 VanDerWaalsContact O-N 3.16Å; L194-G197 PolarHBondContact O-N 3.26Å; L194-G198 PolarHBondContact O-N 3.22Å |
| 195 | L | 98.5 | Very high | 98.1 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 35% | 0.346 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.9 | -52.8 | 178.1 | 173.6 | 62.4 | 0 | 0 | 0 | 110.9 | I161 Y165 S191 V192 G198 V199 | I161-L195 HydrophobicContact CG2-CD2 3.86Å; I161-L195 HydrophobicContact CG2-CG 4.4Å; Y165-L195 HydrophobicContact CD2-CD2 3.62Å; Y165-L195 HydrophobicContact CE2-CD2 4.06Å; Y165-L195 HydrophobicContact CG-CD2 3.94Å; S191-L195 PolarHBondContact O-N 3.33Å; V192-L195 PolarHBondContact O-N 2.94Å; L195-G198 PolarHBondContact O-N 2.94Å; L195-V199 HydrophobicContact CD1-CG2 4.17Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.13Å; L195-V199 PolarHBondContact O-N 3.41Å |
| 196 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | -179.4 | -68.9 | -61.6 | 0 | 0 | 0 | 111.1 | Y26 I95 F158 I161 Q162 V192 G198 V199 L200 | Y26-I196 HydrophobicContact CD2-CG2 3.67Å; Y26-I196 HydrophobicContact CE1-CG2 4.41Å; Y26-I196 HydrophobicContact CE2-CB 4.28Å; Y26-I196 HydrophobicContact CE2-CD1 4.42Å; Y26-I196 HydrophobicContact CE2-CG1 4.23Å; Y26-I196 HydrophobicContact CE2-CG2 3.19Å; Y26-I196 HydrophobicContact CG-CG2 4.44Å; I95-I196 HydrophobicContact CG2-CB 4.32Å; I95-I196 HydrophobicContact CG2-CG2 3.85Å; F158-I196 HydrophobicContact CB-CD1 4.49Å; F158-I196 HydrophobicContact CD1-CD1 4.13Å; I161-I196 HydrophobicContact CB-CD1 4.35Å; I161-I196 HydrophobicContact CG2-CD1 3.86Å; Q162-I196 HydrophobicContact CG-CD1 4.13Å; Q162-I196 HydrophobicContact CG-CG1 4.3Å; V192-I196 HydrophobicContact CG2-CG1 4.3Å; V192-I196 WeakPolarHBondContact O-CB 3.06Å; V192-I196 VanDerWaalsContact O-CG1 3.25Å; V192-I196 WeakPolarHBondContact O-CG1 3.18Å; V192-I196 PolarHBondContact O-N 3.44Å; I196-G198 VanDerWaalsContact C-N 3.29Å; I196-G198 PolarHBondContact O-N 3.07Å; I196-V199 PolarHBondContact O-N 2.69Å; I196-L200 HydrophobicContact CG2-CD1 3.6Å; I196-L200 HydrophobicContact CG2-CG 4.07Å; I196-L200 WeakPolarHBondContact O-CB 3.45Å; I196-L200 VanDerWaalsContact O-CG 3.25Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 2.95Å |
| 197 | G | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F193 L194 L201 | F193-G197 PolarHBondContact O-N 3.15Å; L194-G197 PolarHBondContact O-N 3.26Å; G197-L201 WeakPolarHBondContact O-CB 3.5Å; G197-L201 PolarHBondContact O-N 2.86Å; G197-L201 VanDerWaalsContact O-N 3.11Å |
| 198 | G | 97.9 | Very high | 97.8 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L194 L195 I196 L200 L201 V202 | L194-G198 PolarHBondContact O-N 3.22Å; L195-G198 PolarHBondContact O-N 2.94Å; I196-G198 VanDerWaalsContact C-N 3.29Å; I196-G198 PolarHBondContact O-N 3.07Å; G198-L200 PolarHBondContact O-N 3.45Å; G198-L201 PolarHBondContact O-N 3.07Å; G198-V202 WeakPolarHBondContact O-CG2 3.19Å; G198-V202 PolarHBondContact O-N 3.09Å; G198-V202 VanDerWaalsContact O-N 3.1Å |
| 199 | V | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 39 Ų | 39 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -44 | 179 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F158 L195 I196 L201 V202 I203 | F158-V199 HydrophobicContact CE1-CG1 4.05Å; L195-V199 HydrophobicContact CD1-CG2 4.17Å; L195-V199 VanDerWaalsContact O-CG2 3.29Å; L195-V199 WeakPolarHBondContact O-CG2 3.13Å; L195-V199 PolarHBondContact O-N 3.41Å; I196-V199 PolarHBondContact O-N 2.69Å; V199-L201 PolarHBondContact O-N 3.34Å; V199-V202 PolarHBondContact O-N 3.02Å; V199-I203 HydrophobicContact CG1-CD1 3.77Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.28Å; V199-I203 VanDerWaalsContact O-N 3.09Å |
| 200 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.9 | -74.3 | 170.1 | 0 | 0 | 0 | 111.5 | T23 Y26 S92 I95 F158 I196 G198 V202 I203 Q204 | T23-L200 HydrophobicContact CG2-CD2 4.2Å; T23-L200 WeakPolarHBondContact O-CD2 3.38Å; Y26-L200 HydrophobicContact CD1-CD1 4.31Å; Y26-L200 HydrophobicContact CD2-CD1 4.34Å; Y26-L200 HydrophobicContact CG-CD1 4.04Å; Y26-L200 HydrophobicContact CG-CD2 4.44Å; S92-L200 WeakPolarHBondContact OG-CB 3.4Å; I95-L200 HydrophobicContact CD1-CD1 3.2Å; I95-L200 HydrophobicContact CG1-CD1 4.47Å; F158-L200 HydrophobicContact CD1-CD2 4.41Å; F158-L200 HydrophobicContact CE1-CD2 3.59Å; F158-L200 HydrophobicContact CE1-CG 4.1Å; F158-L200 HydrophobicContact CE2-CD2 3.76Å; F158-L200 HydrophobicContact CZ-CD2 3.24Å; F158-L200 HydrophobicContact CZ-CG 4.23Å; I196-L200 HydrophobicContact CG2-CD1 3.6Å; I196-L200 HydrophobicContact CG2-CG 4.07Å; I196-L200 WeakPolarHBondContact O-CB 3.45Å; I196-L200 VanDerWaalsContact O-CG 3.25Å; I196-L200 WeakPolarHBondContact O-CG 3.35Å; I196-L200 PolarHBondContact O-N 2.95Å; G198-L200 PolarHBondContact O-N 3.45Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 3.47Å; L200-I203 PolarHBondContact O-N 3.47Å; L200-Q204 VanDerWaalsContact O-CB 3.3Å; L200-Q204 WeakPolarHBondContact O-CB 3.38Å; L200-Q204 WeakPolarHBondContact O-CG 3.39Å; L200-Q204 PolarHBondContact O-N 3.16Å |
| 201 | L | 97.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | -179.6 | -173.9 | 62.7 | 0 | 0 | 0 | 111.6 | S92 G197 G198 V199 Q204 L205 | S92-L201 PolarHBondContact OG-N 3.02Å; G197-L201 WeakPolarHBondContact O-CB 3.5Å; G197-L201 PolarHBondContact O-N 2.86Å; G197-L201 VanDerWaalsContact O-N 3.11Å; G198-L201 PolarHBondContact O-N 3.07Å; V199-L201 PolarHBondContact O-N 3.34Å; L201-Q204 PolarHBondContact O-N 3.41Å; L201-L205 HydrophobicContact CG-CD1 4.41Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.44Å |
| 202 | V | 97.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 58% | 0.576 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.3 | -49.1 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | G198 V199 L200 Q204 L205 T206 | G198-V202 WeakPolarHBondContact O-CG2 3.19Å; G198-V202 PolarHBondContact O-N 3.09Å; G198-V202 VanDerWaalsContact O-N 3.1Å; V199-V202 PolarHBondContact O-N 3.02Å; L200-V202 VanDerWaalsContact C-N 3.32Å; L200-V202 PolarHBondContact O-N 3.47Å; V202-Q204 VanDerWaalsContact C-N 3.3Å; V202-Q204 PolarHBondContact O-N 2.95Å; V202-L205 PolarHBondContact O-N 3.17Å; V202-T206 PolarHBondContact O-N 3.23Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 3.35Å |
| 203 | I | 97.7 | Very high | 95.8 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 179.2 | -62.3 | 169.3 | 0 | 0 | 0 | 110.7 | I19 T23 F158 V199 L200 T206 G207 | I19-I203 HydrophobicContact CG2-CG2 3.57Å; I19-I203 WeakPolarHBondContact CG2-O 3.28Å; T23-I203 HydrophobicContact CG2-CB 3.7Å; T23-I203 HydrophobicContact CG2-CG2 3.33Å; F158-I203 HydrophobicContact CE1-CD1 4.12Å; F158-I203 HydrophobicContact CZ-CD1 4.03Å; V199-I203 HydrophobicContact CG1-CD1 3.77Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CG1 3.38Å; V199-I203 PolarHBondContact O-N 3.28Å; V199-I203 VanDerWaalsContact O-N 3.09Å; L200-I203 PolarHBondContact O-N 3.47Å; I203-T206 WeakPolarHBondContact O-CB 3.48Å; I203-T206 PolarHBondContact O-N 2.9Å; I203-G207 PolarHBondContact O-N 2.97Å |
| 204 | Q | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.8 | -77.1 | 169.2 | -12.6 | 0 | 0 | 112.3 | I20 T23 S88 H91 S92 L200 L201 V202 T206 G207 L208 | I20-Q204 HydrophobicContact CD1-CB 4.21Å; I20-Q204 HydrophobicContact CD1-CG 4.37Å; I20-Q204 WeakPolarHBondContact CD1-O 3.1Å; T23-Q204 HydrophobicContact CG2-CG 3.84Å; T23-Q204 WeakPolarHBondContact OG1-CG 3.43Å; T23-Q204 PolarHBondContact OG1-NE2 3.45Å; S88-Q204 VanDerWaalsContact CA-OE1 3.25Å; S88-Q204 PolarHBondContact O-OE1 3.36Å; H91-Q204 PolarHBondContact ND1-NE2 3.16Å; H91-Q204 VanDerWaalsContact ND1-NE2 3.15Å; S92-Q204 PolarHBondContact OG-OE1 2.93Å; L200-Q204 VanDerWaalsContact O-CB 3.3Å; L200-Q204 WeakPolarHBondContact O-CB 3.38Å; L200-Q204 WeakPolarHBondContact O-CG 3.39Å; L200-Q204 PolarHBondContact O-N 3.16Å; L201-Q204 PolarHBondContact O-N 3.41Å; V202-Q204 VanDerWaalsContact C-N 3.3Å; V202-Q204 PolarHBondContact O-N 2.95Å; Q204-T206 VanDerWaalsContact C-N 3.3Å; Q204-T206 PolarHBondContact O-N 3.34Å; Q204-G207 PolarHBondContact O-N 3.45Å; Q204-L208 WeakPolarHBondContact O-CB 3.4Å; Q204-L208 PolarHBondContact O-N 2.96Å |
| 205 | L | 96.1 | Very high | 93.4 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 175.7 | -69.6 | 172.6 | 0 | 0 | 0 | 111.7 | L201 V202 L208 Y209 | L201-L205 HydrophobicContact CG-CD1 4.41Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.44Å; V202-L205 PolarHBondContact O-N 3.17Å; L205-L208 HydrophobicContact CD2-CD2 4.36Å; L205-L208 PolarHBondContact O-N 3.45Å; L205-Y209 PolarHBondContact O-N 3.45Å; L205-Y209 VanDerWaalsContact O-N 3.08Å |
| 206 | T | 95.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 172.6 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | V202 I203 Q204 L208 Y209 L210 | V202-T206 PolarHBondContact O-N 3.23Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 3.35Å; I203-T206 WeakPolarHBondContact O-CB 3.48Å; I203-T206 PolarHBondContact O-N 2.9Å; Q204-T206 VanDerWaalsContact C-N 3.3Å; Q204-T206 PolarHBondContact O-N 3.34Å; T206-L208 PolarHBondContact O-N 3.45Å; T206-Y209 PolarHBondContact O-N 3.05Å; T206-L210 PolarHBondContact O-N 2.87Å |
| 207 | G | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I203 Q204 Y209 L210 M211 | I203-G207 PolarHBondContact O-N 2.97Å; Q204-G207 PolarHBondContact O-N 3.45Å; G207-Y209 VanDerWaalsContact C-N 3.32Å; G207-Y209 PolarHBondContact O-N 3.44Å; G207-L210 PolarHBondContact O-N 2.71Å; G207-M211 WeakPolarHBondContact O-CG 3.47Å; G207-M211 PolarHBondContact O-N 2.89Å; G207-M211 VanDerWaalsContact O-N 3.07Å |
| 208 | L | 95.4 | Very high | 85.7 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 176.9 | 173.4 | 65.8 | 0 | 0 | 0 | 112.4 | R81 V84 I85 Q204 L205 T206 L210 M211 | R81-L208 HydrophobicContact CB-CD1 4.04Å; R81-L208 HydrophobicContact CG-CD1 4.12Å; V84-L208 HydrophobicContact CB-CD1 3.91Å; V84-L208 HydrophobicContact CG1-CB 3.96Å; V84-L208 HydrophobicContact CG1-CD1 3.82Å; V84-L208 HydrophobicContact CG1-CG 4.43Å; I85-L208 HydrophobicContact CD1-CD2 4.09Å; I85-L208 HydrophobicContact CG1-CD1 4.01Å; I85-L208 HydrophobicContact CG1-CD2 3.44Å; I85-L208 VanDerWaalsContact CG1-CD2 3.44Å; I85-L208 HydrophobicContact CG1-CG 4.39Å; Q204-L208 WeakPolarHBondContact O-CB 3.4Å; Q204-L208 PolarHBondContact O-N 2.96Å; L205-L208 HydrophobicContact CD2-CD2 4.36Å; L205-L208 PolarHBondContact O-N 3.45Å; T206-L208 PolarHBondContact O-N 3.45Å; L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 PolarHBondContact O-N 3.08Å; L208-M211 PolarHBondContact O-N 3.35Å |
| 209 | Y | 94.1 | Very high | 82.7 | Confident | 189 Ų | 189 | 78.5 Ų | 78.5 | 74% | 0.741 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.5 | -38.6 | 178.8 | 177.3 | -100.2 | 0 | 0 | 0 | 112.1 | L205 T206 G207 | L205-Y209 PolarHBondContact O-N 3.45Å; L205-Y209 VanDerWaalsContact O-N 3.08Å; T206-Y209 PolarHBondContact O-N 3.05Å; G207-Y209 VanDerWaalsContact C-N 3.32Å; G207-Y209 PolarHBondContact O-N 3.44Å |
| 210 | L | 93.2 | Very high | 79.4 | Confident | 38 Ų | 38 | 83.2 Ų | 83.2 | 20% | 0.199 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -79.5 | -28.5 | -179 | -59.5 | 177.3 | 0 | 0 | 0 | 113.2 | L12 V15 I19 T206 G207 L208 | L12-L210 HydrophobicContact CD2-CD2 4.3Å; V15-L210 HydrophobicContact CG1-CD1 4.01Å; I19-L210 HydrophobicContact CD1-CD1 3.81Å; T206-L210 PolarHBondContact O-N 2.87Å; G207-L210 PolarHBondContact O-N 2.71Å; L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 PolarHBondContact O-N 3.08Å |
| 211 | M | 90.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -73.8 | 130.7 | -178.3 | -70.1 | -163.6 | 86 | 0 | 0 | 112.7 | I20 I80 R81 V84 T128 A131 G207 L208 | I20-M211 HydrophobicContact CG1-SD 3.99Å; I80-M211 HydrophobicContact CD1-CE 4.16Å; I80-M211 HydrophobicContact CG1-CE 3.66Å; I80-M211 HydrophobicContact CG1-SD 4.19Å; R81-M211 PolarHBondContact NE-O 2.98Å; V84-M211 HydrophobicContact CG2-SD 4Å; T128-M211 HydrophobicContact CG2-CE 3.95Å; T128-M211 HydrophobicContact CG2-SD 3.91Å; A131-M211 HydrophobicContact CB-CE 4.36Å; G207-M211 WeakPolarHBondContact O-CG 3.47Å; G207-M211 PolarHBondContact O-N 2.89Å; G207-M211 VanDerWaalsContact O-N 3.07Å; L208-M211 PolarHBondContact O-N 3.35Å | ||
| 212 | R | 88 | Confident | 73.2 | Confident | 114 Ų | 114 | 92.1 Ų | 92.1 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | trans | -141 | 139.2 | 176.1 | -166.7 | 175.2 | -176 | 171.6 | 4.9 | 110.6 | H9 C13 W135 | H9-R212 PolarHBondContact CE1-NH1 3.31Å; H9-R212 VanDerWaalsContact CE1-NH1 3.34Å; H9-R212 PolarHBondContact NE2-NH1 3.2Å; H9-R212 VanDerWaalsContact NE2-NH1 3.16Å; C13-R212 PolarHBondContact SG-O 3.4Å; W135-R212 PolarHBondContact NE1-O 3Å | ||
| 213 | D | 85 | Confident | 70 | Confident | 51 Ų | 51 | 97 Ų | 97 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 138.4 | 171.9 | -77.6 | -48.6 | 0 | 0 | 0 | 111.1 | Y75 G79 I80 Q215 | Y75-D213 VanDerWaalsContact CE2-OD1 3.22Å; Y75-D213 WeakPolarHBondContact CE2-OD1 3.39Å; Y75-D213 PolarHBondContact OH-OD1 3.47Å; G79-D213 WeakPolarHBondContact CA-OD2 3.12Å; I80-D213 WeakPolarHBondContact CB-OD1 3.4Å; I80-D213 WeakPolarHBondContact CG2-OD1 3.19Å; I80-D213 PolarHBondContact N-OD1 3.09Å; I80-D213 PolarHBondContact N-OD2 2.92Å; D213-Q215 PolarHBondContact O-N 3.32Å |
| 214 | K | 79.8 | Confident | 66.8 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 128.4 | 160.2 | -171.9 | 170.8 | 175.4 | 174.2 | 0 | 107.1 | A134 W135 K216 | A134-K214 WeakPolarHBondContact O-CD 3.36Å; A134-K214 PolarHBondContact O-NZ 3.3Å; W135-K214 HydrophobicContact CD2-CB 3.99Å; W135-K214 HydrophobicContact CD2-CD 4.23Å; W135-K214 HydrophobicContact CD2-CG 4.24Å; W135-K214 HydrophobicContact CE3-CB 4.44Å; W135-K214 HydrophobicContact CE3-CD 4.23Å; W135-K214 HydrophobicContact CE3-CG 4.22Å; W135-K214 HydrophobicContact CH2-CB 4.29Å; W135-K214 HydrophobicContact CH2-CG 4.34Å; W135-K214 HydrophobicContact CZ2-CB 3.81Å; W135-K214 HydrophobicContact CZ2-CG 4.34Å; W135-K214 HydrophobicContact CZ3-CG 4.29Å; K214-K216 PolarHBondContact O-N 2.9Å |
| 215 | Q | 66.5 | Low | 63.5 | Low | 166 Ų | 166 | 102 Ų | 102 | 78% | 0.776 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 122.5 | 174.3 | -74.6 | -179.1 | -30.7 | 0 | 0 | 108.3 | D213 K217 | D213-Q215 PolarHBondContact O-N 3.32Å; Q215-K217 PolarHBondContact O-N 2.96Å |
| 216 | K | 57.9 | Low | 60.6 | Low | 162 Ų | 162 | 105.3 Ų | 105.3 | 70% | 0.704 | 53% | 0.528 | S | S | * | . | trans | -57.8 | 115.5 | 167.9 | -67.7 | -178.8 | -177.8 | 175.8 | 0 | 104.9 | R76 K214 V218 | R76-K216 PolarHBondContact O-NZ 3.34Å; K214-K216 PolarHBondContact O-N 2.9Å; K216-V218 VanDerWaalsContact C-N 3.26Å; K216-V218 PolarHBondContact O-N 2.96Å | ||
| 217 | K | 42.5 | Very low | 57.4 | Low | 167 Ų | 167 | 110.3 Ų | 110.3 | 73% | 0.726 | 54% | 0.544 | S | S | * | . | trans | -56.2 | 108.3 | 156.3 | -85 | -169.8 | 166.1 | -156.8 | 0 | 103.7 | Q215 D219 D221 | Q215-K217 PolarHBondContact O-N 2.96Å; K217-D219 PolarHBondContact O-N 2.93Å; K217-D221 IonicContact NZ-OD2 3.6Å; K217-D221 PolarHBondContact NZ-OD2 2.86Å | ||
| 218 | V | 33.4 | Very low | 54.5 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | trans | -48 | 136.1 | 169.9 | 178 | 0 | 0 | 0 | 0 | 105.8 | K216 H220 | K216-V218 VanDerWaalsContact C-N 3.26Å; K216-V218 PolarHBondContact O-N 2.96Å; V218-H220 PolarHBondContact O-N 3.47Å | ||
| 219 | D | 34.8 | Very low | 51.5 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 42.8 | 179.3 | -71 | -51.1 | 0 | 0 | 0 | 113.2 | K217 | K217-D219 PolarHBondContact O-N 2.93Š|
| 220 | H | 28.7 | Very low | 48.2 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -23.3 | 169.6 | -105.7 | -69.9 | 0 | 0 | 0 | 112.4 | V218 L222 K223 G224 | V218-H220 PolarHBondContact O-N 3.47Å; H220-L222 VanDerWaalsContact C-N 3.26Å; H220-L222 PolarHBondContact O-N 2.86Å; H220-K223 PolarHBondContact O-N 3.31Å; H220-G224 PolarHBondContact O-N 2.94Å |
| 221 | D | 30.7 | Very low | 45.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -10 | 178.3 | -70.5 | -11.1 | 0 | 0 | 0 | 113.1 | K217 | K217-D221 IonicContact NZ-OD2 3.6Å; K217-D221 PolarHBondContact NZ-OD2 2.86Å |
| 222 | L | 36 | Very low | 42.5 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -5.9 | 172.4 | -74.8 | 171.8 | 0 | 0 | 0 | 114.2 | H220 | H220-L222 VanDerWaalsContact C-N 3.26Å; H220-L222 PolarHBondContact O-N 2.86Å |
| 223 | K | 29.4 | Very low | 39.8 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 8.7 | 175.1 | -80.5 | -167.8 | 175 | -174.8 | 0 | 114.6 | H220 | H220-K223 PolarHBondContact O-N 3.31Š|
| 224 | G | 31.9 | Very low | 37.8 | Very low | 58 Ų | 58 | 136.9 Ų | 136.9 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -165.8 | 65.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H220 | H220-G224 PolarHBondContact O-N 2.94Š|
| 225 | S | 28.5 | Very low | 36.1 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | -155.3 | 84.8 | 146.1 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | K227 | S225-K227 VanDerWaalsContact C-N 3.31Å; S225-K227 PolarHBondContact O-N 3.44Å; S225-K227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | D | 34.3 | Very low | 35.2 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | trans | -58 | 104.8 | 139.2 | -93 | -34.9 | 0 | 0 | 0 | 106.5 | ||||
| 227 | K | 29.5 | Very low | 35.4 | Very low | 179 Ų | 179 | 135 Ų | 135 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | 179.9 | 99.1 | 152.4 | -97.9 | 159.7 | -164.9 | -168.1 | 0 | 109.9 | S225 H229 | S225-K227 VanDerWaalsContact C-N 3.31Å; S225-K227 PolarHBondContact O-N 3.44Å; S225-K227 VanDerWaalsContact O-N 3.12Å; K227-H229 PolarHBondContact O-N 3.2Å | ||
| 228 | S | 34.9 | Very low | 37.2 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | trans | 7.6 | 79.6 | 143 | 59.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 229 | H | 31 | Very low | 39.8 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -134.9 | 103 | 145 | -82.9 | -62.5 | 0 | 0 | 0 | 106.1 | K227 F231 | K227-H229 PolarHBondContact O-N 3.2Å; H229-F231 PolarHBondContact O-N 2.95Å | ||
| 230 | E | 26.6 | Very low | 42.5 | Very low | 199 Ų | 199 | 121 Ų | 121 | 93% | 0.93 | 65% | 0.654 | S | S | * | * | trans | -57.7 | 89.6 | 165.5 | -82.2 | 177.1 | 143.1 | 0 | 0 | 108 | ||||
| 231 | F | 32.5 | Very low | 45.6 | Very low | 172 Ų | 172 | 122.4 Ų | 122.4 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | trans | -59.5 | 135.2 | 152.4 | -80.9 | -85.9 | 0 | 0 | 0 | 106.4 | H229 | H229-F231 PolarHBondContact O-N 2.95Š| ||
| 232 | P | 30.7 | Very low | 48.5 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | trans | -51.7 | 140.2 | 174.7 | 23.2 | -31.9 | 0 | 0 | 0 | 107.6 | V234 | P232-V234 PolarHBondContact O-N 2.84Š| ||
| 233 | P | 32.1 | Very low | 51.2 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | trans | -50.9 | 114 | -170 | 20.4 | -31.7 | 0 | 0 | 0 | 107.4 | I235 | P233-I235 PolarHBondContact O-N 3.27Š| ||
| 234 | V | 43 | Very low | 54.3 | Low | 106 Ų | 106 | 113.1 Ų | 113.1 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | trans | -55.9 | 100.6 | 175 | 175.8 | 0 | 0 | 0 | 0 | 104.5 | P232 N236 | P232-V234 PolarHBondContact O-N 2.84Å; V234-N236 PolarHBondContact O-N 2.94Å | ||
| 235 | I | 43.1 | Very low | 57.2 | Low | 161 Ų | 161 | 110.3 Ų | 110.3 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.2 | 106.1 | -173 | -65.7 | 164.7 | 0 | 0 | 0 | 107 | P233 S237 | P233-I235 PolarHBondContact O-N 3.27Å; I235-S237 VanDerWaalsContact C-N 3.32Å; I235-S237 WeakPolarHBondContact O-CA 3.42Å; I235-S237 PolarHBondContact O-N 2.95Å |
| 236 | N | 47.3 | Very low | 60.4 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 0.7 | 80.7 | -177.2 | -76.5 | -23.5 | 0 | 0 | 0 | 112.4 | V234 V238 | V234-N236 PolarHBondContact O-N 2.94Å; N236-V238 PolarHBondContact O-N 2.99Å |
| 237 | S | 63.3 | Low | 63.2 | Low | 73 Ų | 73 | 109.8 Ų | 109.8 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | trans | -73.2 | 85.3 | -175.4 | 63.5 | 0 | 0 | 0 | 0 | 107.9 | I235 N239 | I235-S237 VanDerWaalsContact C-N 3.32Å; I235-S237 WeakPolarHBondContact O-CA 3.42Å; I235-S237 PolarHBondContact O-N 2.95Å; S237-N239 PolarHBondContact O-N 3.22Å; S237-N239 VanDerWaalsContact O-N 3.13Å; S237-N239 PolarHBondContact O-ND2 3.47Å; S237-N239 PolarHBondContact OG-ND2 3.25Å | ||
| 238 | V | 79.9 | Confident | 66.3 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 23% | 0.23 | 54% | 0.543 | C | S | . | . | trans | -51.8 | 123.2 | 169.4 | 171.9 | 0 | 0 | 0 | 0 | 106.3 | N236 L240 G373 | N236-V238 PolarHBondContact O-N 2.99Å; V238-L240 HydrophobicContact CG1-CD1 4.26Å; V238-L240 HydrophobicContact CG1-CD2 4.05Å; V238-L240 HydrophobicContact CG1-CG 3.68Å; V238-G373 WeakPolarHBondContact O-CA 3.46Å; V238-G373 PolarHBondContact O-N 3.13Å | ||
| 239 | N | 88.6 | Confident | 69.2 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 24% | 0.235 | 53% | 0.525 | C | S | . | . | trans | -139.9 | 75.3 | 177.5 | -79.5 | -66 | 0 | 0 | 0 | 107.5 | S237 S374 I375 | S237-N239 PolarHBondContact O-N 3.22Å; S237-N239 VanDerWaalsContact O-N 3.13Å; S237-N239 PolarHBondContact O-ND2 3.47Å; S237-N239 PolarHBondContact OG-ND2 3.25Å; N239-S374 PolarHBondContact OD1-N 3.48Å; N239-S374 VanDerWaalsContact OD1-N 3.15Å; N239-I375 HydrophobicContact CB-CB 4.31Å; N239-I375 HydrophobicContact CB-CD1 3.87Å; N239-I375 HydrophobicContact CB-CG1 4.28Å; N239-I375 VanDerWaalsContact CG-CD1 3.49Å; N239-I375 VanDerWaalsContact OD1-CG1 3.28Å; N239-I375 WeakPolarHBondContact OD1-CG1 3.23Å; N239-I375 PolarHBondContact OD1-N 3.03Å; N239-I375 VanDerWaalsContact OD1-N 3.07Å | ||
| 240 | L | 91.4 | Very high | 72.2 | Confident | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.157 | 50% | 0.495 | C | S | . | . | trans | -71.8 | 140.2 | -177 | -59.8 | -176.8 | 0 | 0 | 0 | 110.5 | V238 E244 Q248 F372 N376 N380 | V238-L240 HydrophobicContact CG1-CD1 4.26Å; V238-L240 HydrophobicContact CG1-CD2 4.05Å; V238-L240 HydrophobicContact CG1-CG 3.68Å; L240-E244 HydrophobicContact CB-CB 4.26Å; L240-E244 HydrophobicContact CD2-CB 4.39Å; L240-Q248 HydrophobicContact CD1-CG 3.51Å; L240-F372 HydrophobicContact CD1-CB 4.49Å; L240-F372 HydrophobicContact CD1-CD1 4.05Å; L240-F372 PolarHBondContact N-O 3.39Å; L240-N376 PolarHBondContact O-ND2 3.13Å; L240-N380 PolarHBondContact O-ND2 2.76Å; L240-N380 VanDerWaalsContact O-ND2 3.08Å | ||
| 241 | R | 93.4 | Very high | 75.5 | Confident | 169 Ų | 169 | 88 Ų | 88 | 64% | 0.638 | 45% | 0.453 | S | S | * | . | trans | -72.9 | 153.7 | 166.9 | -63 | 178.2 | 176.6 | -171.7 | 0.7 | 109.4 | L243 E244 L245 | R241-L243 PolarHBondContact O-N 2.93Å; R241-E244 HydrophobicContact CB-CG 4.24Å; R241-E244 PolarHBondContact N-OE2 3.21Å; R241-E244 WeakPolarHBondContact O-CA 3.36Å; R241-E244 WeakPolarHBondContact O-CB 3.45Å; R241-E244 PolarHBondContact O-N 3.45Å; R241-L245 PolarHBondContact O-N 3.26Å | ||
| 242 | P | 91.6 | Very high | 78.5 | Confident | 32 Ų | 32 | 85.5 Ų | 85.5 | 21% | 0.208 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -52.9 | -32.6 | -179.5 | -29.5 | 35.6 | 0 | 0 | 0 | 115 | L245 V379 N380 L383 | P242-L245 WeakPolarHBondContact O-CB 3.17Å; P242-V379 HydrophobicContact CB-CG1 3.97Å; P242-V379 HydrophobicContact CG-CB 4.1Å; P242-V379 HydrophobicContact CG-CG1 3.53Å; P242-N380 WeakPolarHBondContact CA-OD1 3.46Å; P242-L383 HydrophobicContact CB-CD1 3.86Å |
| 243 | L | 92.8 | Very high | 81.7 | Confident | 140 Ų | 140 | 83.4 Ų | 83.4 | 73% | 0.733 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.6 | -25.8 | 177.1 | -67.9 | 169 | 0 | 0 | 0 | 113.4 | R241 | R241-L243 PolarHBondContact O-N 2.93Å |
| 244 | E | 94.6 | Very high | 84.7 | Confident | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80 | -33.2 | 175.8 | -64.3 | 163.5 | 174.2 | 0 | 0 | 110.9 | L240 R241 L246 K247 | L240-E244 HydrophobicContact CB-CB 4.26Å; L240-E244 HydrophobicContact CD2-CB 4.39Å; R241-E244 HydrophobicContact CB-CG 4.24Å; R241-E244 PolarHBondContact N-OE2 3.21Å; R241-E244 WeakPolarHBondContact O-CA 3.36Å; R241-E244 WeakPolarHBondContact O-CB 3.45Å; R241-E244 PolarHBondContact O-N 3.45Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.9Å; E244-K247 WeakPolarHBondContact O-CB 3.22Å; E244-K247 PolarHBondContact O-N 2.82Å; E244-K247 VanDerWaalsContact O-N 3.09Å |
| 245 | L | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.3 | -47.6 | 172.4 | 179.9 | 91.8 | 0 | 0 | 0 | 111.4 | R241 P242 K247 Q248 F251 F372 N380 L383 | R241-L245 PolarHBondContact O-N 3.26Å; P242-L245 WeakPolarHBondContact O-CB 3.17Å; L245-K247 PolarHBondContact O-N 3.15Å; L245-Q248 WeakPolarHBondContact O-CB 3.45Å; L245-Q248 PolarHBondContact O-N 2.87Å; L245-F251 HydrophobicContact CD1-CD2 4.22Å; L245-F251 HydrophobicContact CD2-CD2 3.54Å; L245-F251 HydrophobicContact CD2-CE2 3.63Å; L245-F251 HydrophobicContact CD2-CG 4.4Å; L245-F251 HydrophobicContact CG-CB 4.38Å; L245-F251 HydrophobicContact CG-CD2 3.68Å; L245-F251 HydrophobicContact CG-CE2 4.27Å; L245-F251 HydrophobicContact CG-CG 4.16Å; L245-F251 WeakPolarHBondContact O-CB 3.05Å; L245-F372 HydrophobicContact CD1-CB 3.59Å; L245-F372 HydrophobicContact CD1-CD1 3.59Å; L245-F372 HydrophobicContact CD1-CD2 3.27Å; L245-F372 HydrophobicContact CD1-CE1 4.04Å; L245-F372 HydrophobicContact CD1-CE2 3.77Å; L245-F372 HydrophobicContact CD1-CG 3.18Å; L245-F372 HydrophobicContact CD1-CZ 4.13Å; L245-N380 HydrophobicContact CD1-CB 4.1Å; L245-N380 HydrophobicContact CD2-CB 4.28Å; L245-L383 HydrophobicContact CD2-CB 3.86Å; L245-L383 HydrophobicContact CD2-CD1 3.66Å; L245-L383 HydrophobicContact CD2-CG 4.42Å |
| 246 | L | 94.6 | Very high | 90 | Very high | 67 Ų | 67 | 71 Ų | 71 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.7 | -178.4 | -62.8 | 173.2 | 0 | 0 | 0 | 113.3 | E244 F251 Y252 | E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 2.9Å; L246-F251 HydrophobicContact CD2-CD1 4.32Å; L246-F251 HydrophobicContact CD2-CE1 3.67Å; L246-F251 HydrophobicContact CD2-CE2 4.49Å; L246-F251 HydrophobicContact CD2-CZ 3.77Å; L246-Y252 WeakPolarHBondContact O-CE2 3.28Å; L246-Y252 PolarHBondContact O-OH 3.03Å |
| 247 | K | 94.4 | Very high | 92.4 | Very high | 175 Ų | 175 | 64.2 Ų | 64.2 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.6 | 175.2 | -59.5 | -179.6 | 179.3 | -177.9 | 0 | 112.8 | E244 L245 | E244-K247 WeakPolarHBondContact O-CB 3.22Å; E244-K247 PolarHBondContact O-N 2.82Å; E244-K247 VanDerWaalsContact O-N 3.09Å; L245-K247 PolarHBondContact O-N 3.15Å |
| 248 | Q | 93.9 | Very high | 94 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | trans | -88.7 | 135 | -177.3 | -57 | -55.5 | -57.1 | 0 | 0 | 111.5 | L240 L245 E250 F251 Y252 F372 | L240-Q248 HydrophobicContact CD1-CG 3.51Å; L245-Q248 WeakPolarHBondContact O-CB 3.45Å; L245-Q248 PolarHBondContact O-N 2.87Å; Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 2.96Å; Q248-F251 HydrophobicContact CB-CB 4.36Å; Q248-F251 WeakPolarHBondContact O-CB 3.48Å; Q248-F251 PolarHBondContact O-N 3.35Å; Q248-Y252 VanDerWaalsContact O-CD2 3.28Å; Q248-Y252 WeakPolarHBondContact O-CD2 3.13Å; Q248-F372 HydrophobicContact CB-CE1 4.19Å; Q248-F372 HydrophobicContact CG-CE1 4.46Å | ||
| 249 | K | 94.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 175 | 61.9 | -177.7 | 179.7 | -179.2 | 0 | 112.3 | F251 Y252 F253 | K249-F251 PolarHBondContact O-N 3.48Å; K249-Y252 PolarHBondContact O-N 3.15Å; K249-Y252 VanDerWaalsContact O-N 3.1Å; K249-F253 HydrophobicContact CB-CE2 4.35Å; K249-F253 HydrophobicContact CD-CE2 4.49Å; K249-F253 HydrophobicContact CG-CE2 4.36Å; K249-F253 WeakPolarHBondContact O-CD2 3.08Å; K249-F253 PolarHBondContact O-N 3.4Å; K249-F253 VanDerWaalsContact O-N 3.1Å |
| 250 | E | 94 | Very high | 95.3 | Very high | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 179.4 | -66.5 | 75 | -166.6 | 0 | 0 | 111.8 | Q248 L254 L371 F372 | Q248-E250 VanDerWaalsContact C-N 3.31Å; Q248-E250 PolarHBondContact O-N 2.96Å; E250-L254 WeakPolarHBondContact O-CB 3.48Å; E250-L254 PolarHBondContact O-N 3.19Å; E250-L371 HydrophobicContact CB-CD1 4.32Å; E250-L371 HydrophobicContact CG-CD2 4.42Å; E250-F372 HydrophobicContact CB-CE1 4.13Å; E250-F372 HydrophobicContact CB-CZ 4.24Å |
| 251 | F | 96 | Very high | 95.6 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 172.7 | 168 | -99.7 | 0 | 0 | 0 | 110.3 | L245 L246 Q248 K249 L254 W255 F372 L383 V384 | L245-F251 HydrophobicContact CD1-CD2 4.22Å; L245-F251 HydrophobicContact CD2-CD2 3.54Å; L245-F251 HydrophobicContact CD2-CE2 3.63Å; L245-F251 HydrophobicContact CD2-CG 4.4Å; L245-F251 HydrophobicContact CG-CB 4.38Å; L245-F251 HydrophobicContact CG-CD2 3.68Å; L245-F251 HydrophobicContact CG-CE2 4.27Å; L245-F251 HydrophobicContact CG-CG 4.16Å; L245-F251 WeakPolarHBondContact O-CB 3.05Å; L246-F251 HydrophobicContact CD2-CD1 4.32Å; L246-F251 HydrophobicContact CD2-CE1 3.67Å; L246-F251 HydrophobicContact CD2-CE2 4.49Å; L246-F251 HydrophobicContact CD2-CZ 3.77Å; Q248-F251 HydrophobicContact CB-CB 4.36Å; Q248-F251 WeakPolarHBondContact O-CB 3.48Å; Q248-F251 PolarHBondContact O-N 3.35Å; K249-F251 PolarHBondContact O-N 3.48Å; F251-L254 PolarHBondContact O-N 3.05Å; F251-W255 AromaticContact CZ-CD1 3.78Å; F251-W255 HydrophobicContact CZ-CG 4.44Å; F251-W255 WeakPolarHBondContact O-CB 3.29Å; F251-W255 PolarHBondContact O-N 3.43Å; F251-F372 HydrophobicContact CB-CE1 4.3Å; F251-F372 HydrophobicContact CB-CZ 3.93Å; F251-L383 HydrophobicContact CE2-CB 4.14Å; F251-V384 HydrophobicContact CD2-CG2 3.82Å; F251-V384 HydrophobicContact CE2-CG2 3.84Å |
| 252 | Y | 97.2 | Very high | 95.7 | Very high | 120 Ų | 120 | 49.6 Ų | 49.6 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.9 | -39.1 | -179 | -64.5 | -74.6 | 0 | 0 | 0 | 113 | L246 Q248 K249 W255 I256 | L246-Y252 WeakPolarHBondContact O-CE2 3.28Å; L246-Y252 PolarHBondContact O-OH 3.03Å; Q248-Y252 VanDerWaalsContact O-CD2 3.28Å; Q248-Y252 WeakPolarHBondContact O-CD2 3.13Å; K249-Y252 PolarHBondContact O-N 3.15Å; K249-Y252 VanDerWaalsContact O-N 3.1Å; Y252-W255 PolarHBondContact O-N 3.32Å; Y252-I256 VanDerWaalsContact O-CG1 3.26Å; Y252-I256 WeakPolarHBondContact O-CG1 3.43Å; Y252-I256 PolarHBondContact O-N 3.39Å |
| 253 | F | 96.7 | Very high | 96 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 173.9 | -67.3 | -44.3 | 0 | 0 | 0 | 111.9 | K249 W255 I256 I257 I425 W428 I429 | K249-F253 HydrophobicContact CB-CE2 4.35Å; K249-F253 HydrophobicContact CD-CE2 4.49Å; K249-F253 HydrophobicContact CG-CE2 4.36Å; K249-F253 WeakPolarHBondContact O-CD2 3.08Å; K249-F253 PolarHBondContact O-N 3.4Å; K249-F253 VanDerWaalsContact O-N 3.1Å; F253-W255 VanDerWaalsContact C-N 3.34Å; F253-I256 PolarHBondContact O-N 3.24Å; F253-I257 WeakPolarHBondContact O-CD1 3.23Å; F253-I257 WeakPolarHBondContact O-CG1 3.46Å; F253-I257 PolarHBondContact O-N 2.84Å; F253-I257 VanDerWaalsContact O-N 3.16Å; F253-I425 HydrophobicContact CB-CG2 3.99Å; F253-I425 HydrophobicContact CD1-CG2 3.89Å; F253-I425 HydrophobicContact CG-CG2 4.32Å; F253-W428 HydrophobicContact CD1-CB 4.41Å; F253-W428 HydrophobicContact CD2-CB 4.36Å; F253-W428 HydrophobicContact CE1-CB 4.18Å; F253-W428 HydrophobicContact CE2-CB 4.12Å; F253-W428 HydrophobicContact CZ-CB 4.03Å; F253-I429 HydrophobicContact CB-CD1 4.17Å; F253-I429 HydrophobicContact CB-CG1 3.65Å; F253-I429 HydrophobicContact CG-CG1 4.46Å |
| 254 | L | 96.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.1 | -175.1 | 60.1 | 0 | 0 | 0 | 111 | E250 F251 I256 I257 I258 A367 L371 F372 V384 I429 | E250-L254 WeakPolarHBondContact O-CB 3.48Å; E250-L254 PolarHBondContact O-N 3.19Å; F251-L254 PolarHBondContact O-N 3.05Å; L254-I256 PolarHBondContact O-N 3.22Å; L254-I257 WeakPolarHBondContact O-CB 3.19Å; L254-I257 PolarHBondContact O-N 3.41Å; L254-I258 HydrophobicContact CD1-CG1 4.43Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 2.85Å; L254-A367 HydrophobicContact CD1-CB 4.08Å; L254-A367 HydrophobicContact CD2-CB 3.98Å; L254-L371 HydrophobicContact CD2-CD1 4.36Å; L254-F372 HydrophobicContact CD2-CE2 4.26Å; L254-V384 HydrophobicContact CD2-CG1 3.81Å; L254-V384 HydrophobicContact CD2-CG2 4.17Å; L254-V384 HydrophobicContact CG-CG1 3.81Å; L254-I429 HydrophobicContact CB-CD1 4.31Å; L254-I429 HydrophobicContact CD1-CD1 4.44Å |
| 255 | W | 97.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 22% | 0.216 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 178.9 | -170 | 98.3 | 0 | 0 | 0 | 112 | F251 Y252 F253 I257 I258 F259 A387 F390 | F251-W255 AromaticContact CZ-CD1 3.78Å; F251-W255 HydrophobicContact CZ-CG 4.44Å; F251-W255 WeakPolarHBondContact O-CB 3.29Å; F251-W255 PolarHBondContact O-N 3.43Å; Y252-W255 PolarHBondContact O-N 3.32Å; F253-W255 VanDerWaalsContact C-N 3.34Å; W255-I257 PolarHBondContact O-N 3.34Å; W255-I258 PolarHBondContact O-N 3.12Å; W255-F259 HydrophobicContact CE3-CB 4.28Å; W255-F259 HydrophobicContact CH2-CD2 4.49Å; W255-F259 HydrophobicContact CZ3-CB 4.04Å; W255-F259 HydrophobicContact CZ3-CG 4.34Å; W255-F259 WeakPolarHBondContact O-CB 3.07Å; W255-F259 PolarHBondContact O-N 3.4Å; W255-A387 HydrophobicContact CD2-CB 3.72Å; W255-A387 HydrophobicContact CE3-CB 4.35Å; W255-A387 HydrophobicContact CG-CB 3.86Å; W255-A387 HydrophobicContact CZ2-CB 4.16Å; W255-A387 WeakPolarHBondContact O-CB 3.37Å; W255-F390 HydrophobicContact CH2-CB 4.33Å; W255-F390 AromaticContact CH2-CD2 3.81Å; W255-F390 HydrophobicContact CH2-CD2 3.81Å; W255-F390 HydrophobicContact CH2-CE2 4.42Å; W255-F390 HydrophobicContact CH2-CG 4.2Å; W255-F390 AromaticContact CZ2-CD2 3.46Å; W255-F390 HydrophobicContact CZ2-CD2 3.46Å; W255-F390 VanDerWaalsContact CZ2-CD2 3.46Å; W255-F390 AromaticContact CZ2-CE2 3.84Å; W255-F390 HydrophobicContact CZ2-CE2 3.84Å; W255-F390 HydrophobicContact CZ2-CG 4.3Å |
| 256 | I | 98 | Very high | 96.6 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 32% | 0.323 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 178.5 | -62.8 | 164 | 0 | 0 | 0 | 111 | Y252 F253 L254 I258 F259 C260 I425 | Y252-I256 VanDerWaalsContact O-CG1 3.26Å; Y252-I256 WeakPolarHBondContact O-CG1 3.43Å; Y252-I256 PolarHBondContact O-N 3.39Å; F253-I256 PolarHBondContact O-N 3.24Å; L254-I256 PolarHBondContact O-N 3.22Å; I256-I258 VanDerWaalsContact C-N 3.32Å; I256-I258 PolarHBondContact O-N 3.34Å; I256-F259 WeakPolarHBondContact O-CB 3.43Å; I256-F259 PolarHBondContact O-N 2.66Å; I256-C260 WeakPolarHBondContact O-CB 3.44Å; I256-C260 PolarHBondContact O-N 3.03Å; I256-C260 PolarHBondContact O-SG 2.9Å; I256-C260 VanDerWaalsContact O-SG 3.33Å; I256-I425 HydrophobicContact CB-CD1 4.04Å; I256-I425 HydrophobicContact CG2-CD1 3.32Å |
| 257 | I | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.3 | -71.4 | 159.4 | 0 | 0 | 0 | 110.9 | F253 L254 W255 C260 A261 L317 A422 I425 V426 I429 | F253-I257 WeakPolarHBondContact O-CD1 3.23Å; F253-I257 WeakPolarHBondContact O-CG1 3.46Å; F253-I257 PolarHBondContact O-N 2.84Å; F253-I257 VanDerWaalsContact O-N 3.16Å; L254-I257 WeakPolarHBondContact O-CB 3.19Å; L254-I257 PolarHBondContact O-N 3.41Å; W255-I257 PolarHBondContact O-N 3.34Å; I257-C260 PolarHBondContact O-N 2.71Å; I257-A261 WeakPolarHBondContact O-CB 3.49Å; I257-A261 PolarHBondContact O-N 3.37Å; I257-L317 HydrophobicContact CG2-CD2 4.3Å; I257-A422 HydrophobicContact CG1-CB 4.41Å; I257-A422 HydrophobicContact CG2-CB 4.29Å; I257-I425 HydrophobicContact CD1-CB 4.29Å; I257-I425 HydrophobicContact CD1-CG2 3.93Å; I257-I425 HydrophobicContact CG1-CB 3.99Å; I257-I425 HydrophobicContact CG1-CG2 3.91Å; I257-V426 HydrophobicContact CD1-CB 4.44Å; I257-V426 HydrophobicContact CD1-CG2 3.8Å; I257-V426 HydrophobicContact CG1-CG2 4.32Å; I257-I429 HydrophobicContact CD1-CD1 3.51Å; I257-I429 HydrophobicContact CD1-CG1 4.44Å |
| 258 | I | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 178.9 | -61.7 | -50.2 | 0 | 0 | 0 | 111.5 | L254 W255 I256 A261 G262 V360 A364 V384 A387 F388 | L254-I258 HydrophobicContact CD1-CG1 4.43Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 2.85Å; W255-I258 PolarHBondContact O-N 3.12Å; I256-I258 VanDerWaalsContact C-N 3.32Å; I256-I258 PolarHBondContact O-N 3.34Å; I258-A261 PolarHBondContact O-N 3.45Å; I258-G262 PolarHBondContact O-N 3.46Å; I258-V360 HydrophobicContact CD1-CG1 4.32Å; I258-A364 HydrophobicContact CD1-CB 3.53Å; I258-A364 HydrophobicContact CG1-CB 4.24Å; I258-V384 HydrophobicContact CG1-CG1 4.03Å; I258-A387 HydrophobicContact CB-CB 3.9Å; I258-A387 HydrophobicContact CG2-CB 3.85Å; I258-F388 HydrophobicContact CG2-CD2 3.53Å; I258-F388 HydrophobicContact CG2-CE1 4.27Å; I258-F388 HydrophobicContact CG2-CE2 3.27Å; I258-F388 HydrophobicContact CG2-CG 4.16Å; I258-F388 HydrophobicContact CG2-CZ 3.67Å |
| 259 | F | 97.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 23.1 Ų | 23.1 | 19% | 0.189 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.3 | -52.2 | 172 | 164.8 | -94.9 | 0 | 0 | 0 | 110.7 | W255 I256 A261 G262 I263 A387 F390 G391 F394 | W255-F259 HydrophobicContact CE3-CB 4.28Å; W255-F259 HydrophobicContact CH2-CD2 4.49Å; W255-F259 HydrophobicContact CZ3-CB 4.04Å; W255-F259 HydrophobicContact CZ3-CG 4.34Å; W255-F259 WeakPolarHBondContact O-CB 3.07Å; W255-F259 PolarHBondContact O-N 3.4Å; I256-F259 WeakPolarHBondContact O-CB 3.43Å; I256-F259 PolarHBondContact O-N 2.66Å; F259-A261 VanDerWaalsContact C-N 3.32Å; F259-A261 PolarHBondContact O-N 2.88Å; F259-G262 PolarHBondContact O-N 3.13Å; F259-G262 VanDerWaalsContact O-N 3.09Å; F259-I263 HydrophobicContact CE1-CD1 4.25Å; F259-I263 HydrophobicContact CZ-CD1 4.3Å; F259-A387 HydrophobicContact CB-CB 4.04Å; F259-F390 HydrophobicContact CD2-CB 3.7Å; F259-F390 HydrophobicContact CE2-CB 3.77Å; F259-G391 VanDerWaalsContact CD2-N 3.34Å; F259-F394 HydrophobicContact CE2-CB 4.44Å; F259-F394 HydrophobicContact CZ-CB 4.48Å; F259-F394 HydrophobicContact CZ-CG 4.41Å |
| 260 | C | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 178.6 | -73 | 0 | 0 | 0 | 0 | 112.3 | I256 I257 G262 P264 M418 A422 | I256-C260 WeakPolarHBondContact O-CB 3.44Å; I256-C260 PolarHBondContact O-N 3.03Å; I256-C260 PolarHBondContact O-SG 2.9Å; I256-C260 VanDerWaalsContact O-SG 3.33Å; I257-C260 PolarHBondContact O-N 2.71Å; C260-G262 VanDerWaalsContact C-N 3.31Å; C260-P264 WeakPolarHBondContact O-CD 3.28Å; C260-M418 HydrophobicContact CB-CB 4.34Å; C260-M418 WeakPolarHBondContact CB-O 3.28Å; C260-A422 HydrophobicContact CB-CB 3.79Å |
| 261 | A | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.7 | -22.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I257 I258 F259 I263 P264 L265 W324 V360 | I257-A261 WeakPolarHBondContact O-CB 3.49Å; I257-A261 PolarHBondContact O-N 3.37Å; I258-A261 PolarHBondContact O-N 3.45Å; F259-A261 VanDerWaalsContact C-N 3.32Å; F259-A261 PolarHBondContact O-N 2.88Å; A261-I263 VanDerWaalsContact C-N 3.29Å; A261-I263 PolarHBondContact O-N 2.85Å; A261-P264 WeakPolarHBondContact O-CD 3.42Å; A261-P264 WeakPolarHBondContact O-CG 3.49Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.34Å; A261-L265 PolarHBondContact O-N 2.97Å; A261-L265 VanDerWaalsContact O-N 3.17Å; A261-W324 HydrophobicContact CB-CZ3 4.28Å; A261-V360 HydrophobicContact CB-CG1 3.68Å |
| 262 | G | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.4 | -30.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I258 F259 C260 T266 | I258-G262 PolarHBondContact O-N 3.46Å; F259-G262 PolarHBondContact O-N 3.13Å; F259-G262 VanDerWaalsContact O-N 3.09Å; C260-G262 VanDerWaalsContact C-N 3.31Å; G262-T266 VanDerWaalsContact O-CB 3.27Å; G262-T266 WeakPolarHBondContact O-CB 3.16Å; G262-T266 PolarHBondContact O-N 3.26Å; G262-T266 PolarHBondContact O-OG1 3.48Å |
| 263 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.8 | -59.6 | 179.1 | -67.9 | 165.2 | 0 | 0 | 0 | 112 | F259 A261 L265 T266 S267 G391 F394 V395 L414 M418 | F259-I263 HydrophobicContact CE1-CD1 4.25Å; F259-I263 HydrophobicContact CZ-CD1 4.3Å; A261-I263 VanDerWaalsContact C-N 3.29Å; A261-I263 PolarHBondContact O-N 2.85Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 3.1Å; I263-T266 PolarHBondContact O-N 2.86Å; I263-S267 PolarHBondContact O-N 3.03Å; I263-S267 PolarHBondContact O-OG 3.09Å; I263-G391 VanDerWaalsContact CG1-O 3.32Å; I263-G391 WeakPolarHBondContact CG1-O 3.39Å; I263-F394 HydrophobicContact CD1-CD1 3.66Å; I263-F394 HydrophobicContact CD1-CE1 4.09Å; I263-F394 HydrophobicContact CG1-CD1 4.19Å; I263-V395 HydrophobicContact CB-CB 4.41Å; I263-V395 HydrophobicContact CG1-CB 4.31Å; I263-V395 HydrophobicContact CG2-CB 3.9Å; I263-V395 HydrophobicContact CG2-CG1 4.48Å; I263-V395 HydrophobicContact CG2-CG2 3.92Å; I263-L414 HydrophobicContact CG2-CD2 4.45Å; I263-L414 HydrophobicContact CG2-CG 4.47Å; I263-M418 HydrophobicContact CB-CG 4.39Å; I263-M418 HydrophobicContact CD1-CB 4.35Å; I263-M418 HydrophobicContact CD1-CE 4.14Å; I263-M418 HydrophobicContact CD1-CG 3.59Å; I263-M418 HydrophobicContact CD1-SD 3.7Å; I263-M418 HydrophobicContact CG2-CG 4.21Å |
| 264 | P | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64 | -34 | 174.8 | 22 | -31 | 0 | 0 | 0 | 113.1 | C260 A261 L268 W324 L328 C415 | C260-P264 WeakPolarHBondContact O-CD 3.28Å; A261-P264 WeakPolarHBondContact O-CD 3.42Å; A261-P264 WeakPolarHBondContact O-CG 3.49Å; P264-L268 WeakPolarHBondContact O-CB 3.32Å; P264-L268 WeakPolarHBondContact O-CG 3.48Å; P264-L268 PolarHBondContact O-N 3.12Å; P264-W324 HydrophobicContact CB-CH2 3.53Å; P264-W324 HydrophobicContact CB-CZ2 3.67Å; P264-W324 HydrophobicContact CB-CZ3 4.03Å; P264-W324 HydrophobicContact CG-CE3 4.18Å; P264-W324 HydrophobicContact CG-CH2 3.32Å; P264-W324 HydrophobicContact CG-CZ2 4Å; P264-W324 HydrophobicContact CG-CZ3 3.42Å; P264-W324 VanDerWaalsContact CG-CZ3 3.42Å; P264-L328 HydrophobicContact CB-CD1 3.77Å; P264-L328 HydrophobicContact CB-CD2 4.45Å; P264-C415 HydrophobicContact CB-CB 3.87Å |
| 265 | L | 97.2 | Very high | 97 | Very high | 3 Ų | 3 | 8.9 Ų | 8.9 | 2% | 0.016 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58 | -52.8 | 174 | 169.1 | 63 | 0 | 0 | 0 | 111.4 | Y28 L61 A261 I263 S267 A269 I357 L361 F388 | Y28-L265 HydrophobicContact CE1-CD1 3.76Å; L61-L265 HydrophobicContact CD1-CD2 3.9Å; L61-L265 HydrophobicContact CD1-CG 4.17Å; L61-L265 HydrophobicContact CD2-CD2 4.43Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.34Å; A261-L265 PolarHBondContact O-N 2.97Å; A261-L265 VanDerWaalsContact O-N 3.17Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 3.1Å; L265-S267 VanDerWaalsContact C-N 3.35Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 3.21Å; L265-I357 HydrophobicContact CB-CD1 3.76Å; L265-I357 HydrophobicContact CD1-CD1 3.23Å; L265-I357 HydrophobicContact CD1-CG1 4.22Å; L265-I357 HydrophobicContact CG-CD1 4.04Å; L265-L361 HydrophobicContact CD2-CD2 4.23Å; L265-F388 HydrophobicContact CB-CE1 4.37Å; L265-F388 HydrophobicContact CD2-CD1 3.76Å; L265-F388 HydrophobicContact CD2-CE1 3.24Å; L265-F388 HydrophobicContact CD2-CZ 3.85Å; L265-F388 HydrophobicContact CG-CE1 4.41Å |
| 266 | T | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | -178 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | M54 T57 S58 G262 I263 A269 T270 G392 V395 | M54-T266 HydrophobicContact CE-CG2 4.11Å; T57-T266 HydrophobicContact CG2-CG2 3.99Å; S58-T266 WeakPolarHBondContact OG-CG2 3.36Å; G262-T266 VanDerWaalsContact O-CB 3.27Å; G262-T266 WeakPolarHBondContact O-CB 3.16Å; G262-T266 PolarHBondContact O-N 3.26Å; G262-T266 PolarHBondContact O-OG1 3.48Å; I263-T266 PolarHBondContact O-N 2.86Å; T266-A269 PolarHBondContact O-N 3.48Å; T266-T270 PolarHBondContact O-N 3.39Å; T266-T270 PolarHBondContact O-OG1 3.48Å; T266-T270 VanDerWaalsContact O-OG1 3.09Å; T266-G392 WeakPolarHBondContact OG1-CA 3.28Å; T266-V395 HydrophobicContact CG2-CG1 3.93Å |
| 267 | S | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | -179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | I263 L265 L271 V395 C415 | I263-S267 PolarHBondContact O-N 3.03Å; I263-S267 PolarHBondContact O-OG 3.09Å; L265-S267 VanDerWaalsContact C-N 3.35Å; S267-L271 WeakPolarHBondContact O-CA 3.32Å; S267-L271 WeakPolarHBondContact O-CB 3.48Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.34Å; S267-V395 WeakPolarHBondContact OG-CG2 3.49Å; S267-C415 PolarHBondContact OG-SG 3.36Å |
| 268 | L | 96.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | 179.2 | -72.8 | 172.9 | 0 | 0 | 0 | 112.4 | P264 T270 F272 W324 L328 L353 F412 | P264-L268 WeakPolarHBondContact O-CB 3.32Å; P264-L268 WeakPolarHBondContact O-CG 3.48Å; P264-L268 PolarHBondContact O-N 3.12Å; L268-T270 PolarHBondContact O-N 3.37Å; L268-F272 WeakPolarHBondContact O-CB 3.17Å; L268-F272 WeakPolarHBondContact O-CD1 3.42Å; L268-F272 PolarHBondContact O-N 2.81Å; L268-W324 HydrophobicContact CD1-CZ2 4.03Å; L268-L328 HydrophobicContact CD1-CD2 3.99Å; L268-L328 HydrophobicContact CD2-CD2 4.35Å; L268-L328 HydrophobicContact CG-CD2 4.25Å; L268-L353 HydrophobicContact CD1-CB 4.13Å; L268-L353 HydrophobicContact CD1-CD1 4.36Å; L268-L353 HydrophobicContact CD1-CD2 4.25Å; L268-L353 HydrophobicContact CD1-CG 4.48Å; L268-L353 HydrophobicContact CD2-CD1 3.92Å; L268-F412 HydrophobicContact CD2-CE1 3.94Å |
| 269 | A | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.4 | -26.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y28 G31 T57 L265 T266 | Y28-A269 HydrophobicContact CD1-CB 4.12Å; Y28-A269 HydrophobicContact CE1-CB 4.26Å; G31-A269 WeakPolarHBondContact CA-O 3.47Å; G31-A269 PolarHBondContact N-O 3.18Å; T57-A269 HydrophobicContact CG2-CB 3.94Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 3.21Å; T266-A269 PolarHBondContact O-N 3.48Å |
| 270 | T | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -97.1 | -47.1 | 174.8 | -41.1 | 0 | 0 | 0 | 0 | 113.2 | I30 G31 A34 I53 M54 T57 T266 L268 | I30-T270 HydrophobicContact CG2-CG2 4.43Å; G31-T270 WeakPolarHBondContact CA-O 3.49Å; A34-T270 HydrophobicContact CB-CG2 4.23Å; I53-T270 HydrophobicContact CB-CG2 4.49Å; I53-T270 HydrophobicContact CG2-CG2 3.63Å; M54-T270 HydrophobicContact CG-CG2 4.18Å; T57-T270 WeakPolarHBondContact CB-OG1 3.39Å; T57-T270 PolarHBondContact OG1-OG1 3.46Å; T266-T270 PolarHBondContact O-N 3.39Å; T266-T270 PolarHBondContact O-OG1 3.48Å; T266-T270 VanDerWaalsContact O-OG1 3.09Å; L268-T270 PolarHBondContact O-N 3.37Å |
| 271 | L | 95 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -97.1 | -10.7 | -158.3 | -59.4 | 175.9 | 0 | 0 | 0 | 114.7 | I53 M54 S267 K273 L274 F275 W408 L411 | I53-L271 HydrophobicContact CG2-CD2 4.33Å; M54-L271 HydrophobicContact CE-CD1 4.24Å; M54-L271 HydrophobicContact CG-CD1 4.07Å; M54-L271 HydrophobicContact CG-CD2 3.76Å; M54-L271 HydrophobicContact CG-CG 3.9Å; M54-L271 HydrophobicContact SD-CD1 3.48Å; M54-L271 WeakPolarHBondContact SD-CD1 3.35Å; M54-L271 HydrophobicContact SD-CD2 4.22Å; M54-L271 HydrophobicContact SD-CG 4.01Å; S267-L271 WeakPolarHBondContact O-CA 3.32Å; S267-L271 WeakPolarHBondContact O-CB 3.48Å; S267-L271 WeakPolarHBondContact O-CG 3.27Å; S267-L271 PolarHBondContact O-N 3.34Å; L271-K273 VanDerWaalsContact C-N 3.27Å; L271-K273 PolarHBondContact O-N 3.5Å; L271-K273 VanDerWaalsContact O-N 3.17Å; L271-L274 HydrophobicContact CD2-CD2 3.97Å; L271-L274 WeakPolarHBondContact O-CA 3.09Å; L271-L274 WeakPolarHBondContact O-CB 3.46Å; L271-L274 PolarHBondContact O-N 3.08Å; L271-F275 PolarHBondContact O-N 3.28Å; L271-W408 HydrophobicContact CB-CZ3 4.29Å; L271-W408 HydrophobicContact CD1-CE3 4.36Å; L271-W408 HydrophobicContact CD1-CZ3 3.8Å; L271-W408 HydrophobicContact CD2-CH2 4.32Å; L271-W408 HydrophobicContact CD2-CZ3 3.93Å; L271-W408 HydrophobicContact CG-CZ3 4.23Å; L271-L411 HydrophobicContact CD1-CD2 3.26Å |
| 272 | F | 95.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.4 | -42.8 | -172.1 | 82.7 | -87.9 | 0 | 0 | 0 | 113.2 | L268 G276 F346 L350 | L268-F272 WeakPolarHBondContact O-CB 3.17Å; L268-F272 WeakPolarHBondContact O-CD1 3.42Å; L268-F272 PolarHBondContact O-N 2.81Å; F272-G276 PolarHBondContact O-N 3.24Å; F272-F346 HydrophobicContact CD2-CZ 4.33Å; F272-F346 WeakPolarHBondContact O-CZ 2.92Å; F272-L350 HydrophobicContact CB-CD2 3.94Å; F272-L350 HydrophobicContact CD2-CD1 3.83Å; F272-L350 HydrophobicContact CD2-CD2 4.1Å; F272-L350 HydrophobicContact CE2-CD1 4.39Å; F272-L350 HydrophobicContact CG-CD2 4.22Å |
| 273 | K | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.7 | -33.8 | 179.3 | -171.6 | 171.6 | -179.3 | -173 | 0 | 111.3 | G31 N32 P35 Y36 L271 G276 K277 D283 L286 | G31-K273 VanDerWaalsContact O-CB 3.28Å; G31-K273 WeakPolarHBondContact O-CB 2.88Å; N32-K273 PolarHBondContact O-NZ 3.24Å; N32-K273 PolarHBondContact OD1-NZ 3.35Å; P35-K273 HydrophobicContact CG-CD 3.77Å; P35-K273 HydrophobicContact CG-CG 4.09Å; Y36-K273 PolarHBondContact OH-NZ 3.33Å; L271-K273 VanDerWaalsContact C-N 3.27Å; L271-K273 PolarHBondContact O-N 3.5Å; L271-K273 VanDerWaalsContact O-N 3.17Å; K273-G276 PolarHBondContact O-N 3.44Å; K273-K277 PolarHBondContact O-N 3.05Å; K273-D283 WeakPolarHBondContact CE-OD1 3.39Å; K273-D283 IonicContact NZ-OD1 3.57Å; K273-D283 PolarHBondContact NZ-OD1 3.41Å; K273-L286 HydrophobicContact CG-CB 4.07Å; K273-L286 HydrophobicContact CG-CD1 4.25Å |
| 274 | L | 95.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69 | -42.6 | 179 | -161.2 | 70.1 | 0 | 0 | 0 | 111.4 | P35 L38 D50 L271 K277 W408 | P35-L274 HydrophobicContact CB-CD1 4.38Å; L38-L274 HydrophobicContact CD1-CD1 3.87Å; L38-L274 HydrophobicContact CD1-CD2 3.92Å; D50-L274 HydrophobicContact CB-CD2 4.31Å; L271-L274 HydrophobicContact CD2-CD2 3.97Å; L271-L274 WeakPolarHBondContact O-CA 3.09Å; L271-L274 WeakPolarHBondContact O-CB 3.46Å; L271-L274 PolarHBondContact O-N 3.08Å; L274-K277 HydrophobicContact CD1-CD 4.18Å; L274-K277 VanDerWaalsContact CD1-CE 3.44Å; L274-K277 VanDerWaalsContact O-CG 3.28Å; L274-K277 WeakPolarHBondContact O-CG 3.36Å; L274-W408 HydrophobicContact CD2-CH2 3.61Å; L274-W408 HydrophobicContact CD2-CZ2 4.26Å; L274-W408 HydrophobicContact CG-CH2 4.04Å; L274-W408 HydrophobicContact CG-CZ2 4.29Å |
| 275 | F | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 167.8 | 173 | -105.7 | 0 | 0 | 0 | 110.7 | L271 K277 T278 H279 F331 F346 W408 F412 | L271-F275 PolarHBondContact O-N 3.28Å; F275-K277 VanDerWaalsContact C-N 3.33Å; F275-K277 PolarHBondContact O-N 3.26Å; F275-T278 WeakPolarHBondContact O-CB 3.46Å; F275-T278 PolarHBondContact O-N 3Å; F275-T278 VanDerWaalsContact O-N 3.07Å; F275-T278 PolarHBondContact O-OG1 2.95Å; F275-H279 AromaticContact CE2-NE2 3.97Å; F275-F331 AromaticContact CD1-CD1 3.99Å; F275-F331 HydrophobicContact CD1-CD1 3.99Å; F275-F331 AromaticContact CD1-CE1 3.29Å; F275-F331 HydrophobicContact CD1-CE1 3.29Å; F275-F331 AromaticContact CD1-CZ 3.63Å; F275-F331 HydrophobicContact CD1-CZ 3.63Å; F275-F331 AromaticContact CE1-CD1 3.96Å; F275-F331 HydrophobicContact CE1-CD1 3.96Å; F275-F331 AromaticContact CE1-CE1 3.65Å; F275-F331 HydrophobicContact CE1-CE1 3.65Å; F275-F331 HydrophobicContact CE1-CE2 4.38Å; F275-F331 HydrophobicContact CE1-CG 4.46Å; F275-F331 AromaticContact CE1-CZ 3.89Å; F275-F331 HydrophobicContact CE1-CZ 3.89Å; F275-F331 HydrophobicContact CG-CE1 4.08Å; F275-F331 WeakPolarHBondContact CZ-O 3.47Å; F275-F346 HydrophobicContact CD1-CE2 4.1Å; F275-W408 HydrophobicContact CD2-CB 4.01Å; F275-W408 HydrophobicContact CD2-CD2 4.41Å; F275-W408 AromaticContact CD2-CG 3.87Å; F275-W408 HydrophobicContact CD2-CG 3.87Å; F275-W408 HydrophobicContact CE2-CB 4.38Å; F275-F412 HydrophobicContact CB-CE2 4.46Å; F275-F412 HydrophobicContact CD2-CE2 4.17Å; F275-F412 HydrophobicContact CG-CE2 4.18Å |
| 276 | G | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -54.6 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F272 K273 T278 H279 I280 | F272-G276 PolarHBondContact O-N 3.24Å; K273-G276 PolarHBondContact O-N 3.44Å; G276-T278 PolarHBondContact O-N 3.15Å; G276-H279 PolarHBondContact O-N 3.45Å; G276-I280 WeakPolarHBondContact O-CB 2.99Å; G276-I280 PolarHBondContact O-N 2.89Å |
| 277 | K | 95.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 7% | 0.07 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -19.5 | -179 | 76.9 | 169.1 | -165.2 | 174.8 | 0 | 113.9 | P35 D39 I173 K178 K273 L274 F275 H279 L286 | P35-K277 HydrophobicContact CB-CD 4.29Å; D39-K277 IonicContact OD1-NZ 2.72Å; D39-K277 IonicContact OD2-NZ 2.7Å; I173-K277 HydrophobicContact CD1-CB 4.13Å; I173-K277 HydrophobicContact CD1-CD 4.48Å; I173-K277 HydrophobicContact CD1-CG 4.47Å; I173-K277 WeakPolarHBondContact CD1-O 3.15Å; K178-K277 WeakPolarHBondContact O-CE 3.47Å; K178-K277 PolarHBondContact O-NZ 2.82Å; K273-K277 PolarHBondContact O-N 3.05Å; L274-K277 HydrophobicContact CD1-CD 4.18Å; L274-K277 VanDerWaalsContact CD1-CE 3.44Å; L274-K277 VanDerWaalsContact O-CG 3.28Å; L274-K277 WeakPolarHBondContact O-CG 3.36Å; F275-K277 VanDerWaalsContact C-N 3.33Å; F275-K277 PolarHBondContact O-N 3.26Å; K277-H279 PolarHBondContact O-N 3.44Å; K277-L286 HydrophobicContact CB-CD1 3.93Å |
| 278 | T | 93.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 25% | 0.252 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.8 | -24.9 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | F275 G276 | F275-T278 WeakPolarHBondContact O-CB 3.46Å; F275-T278 PolarHBondContact O-N 3Å; F275-T278 VanDerWaalsContact O-N 3.07Å; F275-T278 PolarHBondContact O-OG1 2.95Å; G276-T278 PolarHBondContact O-N 3.15Å |
| 279 | H | 93.9 | Very high | 96.6 | Very high | 90 Ų | 90 | 26.8 Ų | 26.8 | 42% | 0.417 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -121.9 | -21.5 | -177 | -55.8 | -63.6 | 0 | 0 | 0 | 113.8 | F275 G276 K277 P335 I342 | F275-H279 AromaticContact CE2-NE2 3.97Å; G276-H279 PolarHBondContact O-N 3.45Å; K277-H279 PolarHBondContact O-N 3.44Å; H279-P335 VanDerWaalsContact CE1-CG 3.46Å; H279-P335 WeakPolarHBondContact CE1-CG 3.35Å; H279-P335 VanDerWaalsContact NE2-CG 3.34Å; H279-P335 WeakPolarHBondContact NE2-CG 3.49Å; H279-I342 HydrophobicContact CB-CD1 3.47Å; H279-I342 VanDerWaalsContact CB-CD1 3.47Å |
| 280 | I | 96.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -121.1 | 102.2 | -175.6 | -60.1 | 164.1 | 0 | 0 | 0 | 109.3 | G276 D282 F285 L286 I342 K343 F346 | G276-I280 WeakPolarHBondContact O-CB 2.99Å; G276-I280 PolarHBondContact O-N 2.89Å; I280-D282 HydrophobicContact CG2-CB 4.02Å; I280-D282 PolarHBondContact O-N 3.18Å; I280-F285 HydrophobicContact CD1-CE1 4.04Å; I280-F285 HydrophobicContact CG2-CD1 3.81Å; I280-F285 HydrophobicContact CG2-CE1 4.33Å; I280-L286 HydrophobicContact CB-CD2 4.23Å; I280-L286 HydrophobicContact CD1-CD2 4.18Å; I280-L286 HydrophobicContact CG2-CD2 4.32Å; I280-L286 HydrophobicContact CG2-CG 4.38Å; I280-I342 HydrophobicContact CD1-CG2 4.27Å; I280-I342 HydrophobicContact CG1-CG2 3.84Å; I280-K343 HydrophobicContact CD1-CG 4.24Å; I280-K343 HydrophobicContact CG1-CG 4.27Å; I280-K343 HydrophobicContact CG2-CD 4.46Å; I280-K343 HydrophobicContact CG2-CG 4.12Å; I280-F346 HydrophobicContact CD1-CB 3.98Å; I280-F346 HydrophobicContact CD1-CD1 4.23Å; I280-F346 HydrophobicContact CD1-CD2 4.36Å; I280-F346 HydrophobicContact CD1-CG 3.95Å | ||
| 281 | N | 95.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 24% | 0.241 | 14% | 0.138 | C | C | . | . | trans | -84.3 | 63.1 | 175.8 | -162.8 | -5.7 | 0 | 0 | 0 | 111.4 | K172 I173 D175 | K172-N281 VanDerWaalsContact CB-OD1 3.27Å; K172-N281 WeakPolarHBondContact CB-OD1 3.28Å; I173-N281 HydrophobicContact CG1-CB 4.44Å; I173-N281 WeakPolarHBondContact CG1-OD1 3.01Å; I173-N281 PolarHBondContact N-OD1 2.84Å; I173-N281 PolarHBondContact O-ND2 3.34Å; D175-N281 PolarHBondContact OD1-ND2 2.93Å | ||
| 282 | D | 97 | Very high | 96.9 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | trans | -153.1 | 91.1 | 179.4 | -172.5 | -10.3 | 0 | 0 | 0 | 110.1 | N170 I280 R284 F285 L286 K343 | N170-D282 PolarHBondContact ND2-OD1 3.09Å; I280-D282 HydrophobicContact CG2-CB 4.02Å; I280-D282 PolarHBondContact O-N 3.18Å; D282-R284 PolarHBondContact O-N 3.39Å; D282-F285 HydrophobicContact CB-CB 3.85Å; D282-F285 PolarHBondContact O-N 2.96Å; D282-F285 PolarHBondContact OD1-N 3.15Å; D282-F285 VanDerWaalsContact OD1-N 3.16Å; D282-F285 WeakPolarHBondContact OD2-CB 3.5Å; D282-L286 WeakPolarHBondContact O-CG 3.43Å; D282-L286 PolarHBondContact O-N 3.19Å; D282-L286 VanDerWaalsContact O-N 3.1Å; D282-K343 IonicContact OD2-NZ 3.24Å; D282-K343 PolarHBondContact OD2-NZ 2.85Å | ||
| 283 | D | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | -173.7 | -178.9 | 45.1 | 0 | 0 | 0 | 112.3 | Y36 N167 N170 F180 K273 F285 L286 A287 | Y36-D283 VanDerWaalsContact OH-CG 3.25Å; Y36-D283 PolarHBondContact OH-OD1 3.32Å; Y36-D283 PolarHBondContact OH-OD2 3.47Å; N167-D283 PolarHBondContact ND2-OD2 2.85Å; N170-D283 PolarHBondContact OD1-N 3.35Å; F180-D283 HydrophobicContact CE1-CB 4.2Å; F180-D283 HydrophobicContact CZ-CB 3.86Å; K273-D283 WeakPolarHBondContact CE-OD1 3.39Å; K273-D283 IonicContact NZ-OD1 3.57Å; K273-D283 PolarHBondContact NZ-OD1 3.41Å; D283-F285 VanDerWaalsContact C-N 3.34Å; D283-F285 PolarHBondContact O-N 3.42Å; D283-L286 PolarHBondContact O-N 3.21Å; D283-A287 WeakPolarHBondContact O-CB 3.08Å; D283-A287 PolarHBondContact O-N 3.09Å |
| 284 | R | 97.7 | Very high | 97 | Very high | 160 Ų | 160 | 30.6 Ų | 30.6 | 60% | 0.604 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -61.9 | -41.7 | 177.1 | -174.2 | 177.6 | -180 | 173.5 | 0.7 | 111.5 | N170 D282 A287 I288 | N170-R284 HydrophobicContact CB-CB 4.2Å; N170-R284 VanDerWaalsContact CG-CB 3.49Å; N170-R284 VanDerWaalsContact OD1-CB 3.29Å; N170-R284 WeakPolarHBondContact OD1-CB 3.47Å; N170-R284 PolarHBondContact OD1-N 3.42Å; D282-R284 PolarHBondContact O-N 3.39Å; R284-A287 PolarHBondContact O-N 3.37Å; R284-I288 HydrophobicContact CG-CD1 4.05Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.29Å; R284-I288 PolarHBondContact O-N 3Å |
| 285 | F | 98.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 174 | 171.4 | -93.1 | 0 | 0 | 0 | 111.4 | I280 D282 D283 A287 I288 M289 K343 F346 | I280-F285 HydrophobicContact CD1-CE1 4.04Å; I280-F285 HydrophobicContact CG2-CD1 3.81Å; I280-F285 HydrophobicContact CG2-CE1 4.33Å; D282-F285 HydrophobicContact CB-CB 3.85Å; D282-F285 PolarHBondContact O-N 2.96Å; D282-F285 PolarHBondContact OD1-N 3.15Å; D282-F285 VanDerWaalsContact OD1-N 3.16Å; D282-F285 WeakPolarHBondContact OD2-CB 3.5Å; D283-F285 VanDerWaalsContact C-N 3.34Å; D283-F285 PolarHBondContact O-N 3.42Å; F285-A287 VanDerWaalsContact C-N 3.31Å; F285-A287 PolarHBondContact O-N 2.89Å; F285-I288 PolarHBondContact O-N 2.82Å; F285-M289 HydrophobicContact CD1-CG 4.1Å; F285-M289 HydrophobicContact CD2-CE 4.47Å; F285-M289 HydrophobicContact CD2-CG 4.46Å; F285-M289 HydrophobicContact CE1-CG 3.54Å; F285-M289 HydrophobicContact CE1-SD 4.32Å; F285-M289 HydrophobicContact CE2-CE 3.92Å; F285-M289 HydrophobicContact CE2-CG 3.95Å; F285-M289 HydrophobicContact CE2-SD 3.89Å; F285-M289 HydrophobicContact CZ-CE 4.26Å; F285-M289 HydrophobicContact CZ-CG 3.44Å; F285-M289 VanDerWaalsContact CZ-CG 3.44Å; F285-M289 HydrophobicContact CZ-SD 3.61Å; F285-M289 WeakPolarHBondContact O-CG 3.47Å; F285-M289 PolarHBondContact O-N 2.82Å; F285-K343 HydrophobicContact CD1-CD 4.24Å; F285-K343 HydrophobicContact CD1-CG 4.22Å; F285-K343 HydrophobicContact CD2-CD 4.17Å; F285-K343 HydrophobicContact CE1-CB 3.96Å; F285-K343 HydrophobicContact CE1-CD 4.27Å; F285-K343 HydrophobicContact CE1-CG 3.85Å; F285-K343 HydrophobicContact CE2-CB 4.05Å; F285-K343 HydrophobicContact CE2-CD 4.19Å; F285-K343 HydrophobicContact CE2-CG 4.36Å; F285-K343 HydrophobicContact CG-CD 4.2Å; F285-K343 HydrophobicContact CZ-CB 3.58Å; F285-K343 HydrophobicContact CZ-CD 4.26Å; F285-K343 HydrophobicContact CZ-CG 3.94Å; F285-K343 WeakPolarHBondContact CZ-O 3.28Å; F285-F346 HydrophobicContact CE1-CD1 4.23Å |
| 286 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 179.9 | -67.3 | 173.5 | 0 | 0 | 0 | 112.2 | K273 K277 I280 D282 D283 M289 G290 F346 | K273-L286 HydrophobicContact CG-CB 4.07Å; K273-L286 HydrophobicContact CG-CD1 4.25Å; K277-L286 HydrophobicContact CB-CD1 3.93Å; I280-L286 HydrophobicContact CB-CD2 4.23Å; I280-L286 HydrophobicContact CD1-CD2 4.18Å; I280-L286 HydrophobicContact CG2-CD2 4.32Å; I280-L286 HydrophobicContact CG2-CG 4.38Å; D282-L286 WeakPolarHBondContact O-CG 3.43Å; D282-L286 PolarHBondContact O-N 3.19Å; D282-L286 VanDerWaalsContact O-N 3.1Å; D283-L286 PolarHBondContact O-N 3.21Å; L286-M289 PolarHBondContact O-N 3.43Å; L286-G290 PolarHBondContact O-N 3.41Å; L286-F346 HydrophobicContact CD2-CD1 4.21Å; L286-F346 HydrophobicContact CD2-CE1 3.52Å; L286-F346 HydrophobicContact CD2-CZ 3.76Å |
| 287 | A | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | T159 T163 D283 R284 F285 M289 G290 V291 | T159-A287 HydrophobicContact CG2-CB 4.01Å; T163-A287 HydrophobicContact CG2-CB 3.73Å; T163-A287 WeakPolarHBondContact OG1-CB 3.47Å; D283-A287 WeakPolarHBondContact O-CB 3.08Å; D283-A287 PolarHBondContact O-N 3.09Å; R284-A287 PolarHBondContact O-N 3.37Å; F285-A287 VanDerWaalsContact C-N 3.31Å; F285-A287 PolarHBondContact O-N 2.89Å; A287-M289 VanDerWaalsContact C-N 3.34Å; A287-M289 PolarHBondContact O-N 3.49Å; A287-G290 PolarHBondContact O-N 3.44Å; A287-V291 PolarHBondContact O-N 2.95Å; A287-V291 VanDerWaalsContact O-N 3.09Å |
| 288 | I | 98.4 | Very high | 97.5 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 41% | 0.41 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.1 | -70.5 | 162.4 | 0 | 0 | 0 | 110.4 | R284 F285 G290 V291 V292 | R284-I288 HydrophobicContact CG-CD1 4.05Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.29Å; R284-I288 PolarHBondContact O-N 3Å; F285-I288 PolarHBondContact O-N 2.82Å; I288-G290 VanDerWaalsContact C-N 3.27Å; I288-G290 PolarHBondContact O-N 3.03Å; I288-V291 WeakPolarHBondContact O-CA 3.26Å; I288-V291 WeakPolarHBondContact O-CB 3.32Å; I288-V291 PolarHBondContact O-N 3.34Å; I288-V292 HydrophobicContact CG2-CG2 4.14Å; I288-V292 WeakPolarHBondContact O-CG2 3.25Å; I288-V292 PolarHBondContact O-N 3.17Å |
| 289 | M | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 176.4 | -66.6 | -60 | 93.3 | 0 | 0 | 112.1 | F285 L286 A287 V292 A293 F346 G347 L350 | F285-M289 HydrophobicContact CD1-CG 4.1Å; F285-M289 HydrophobicContact CD2-CE 4.47Å; F285-M289 HydrophobicContact CD2-CG 4.46Å; F285-M289 HydrophobicContact CE1-CG 3.54Å; F285-M289 HydrophobicContact CE1-SD 4.32Å; F285-M289 HydrophobicContact CE2-CE 3.92Å; F285-M289 HydrophobicContact CE2-CG 3.95Å; F285-M289 HydrophobicContact CE2-SD 3.89Å; F285-M289 HydrophobicContact CZ-CE 4.26Å; F285-M289 HydrophobicContact CZ-CG 3.44Å; F285-M289 VanDerWaalsContact CZ-CG 3.44Å; F285-M289 HydrophobicContact CZ-SD 3.61Å; F285-M289 WeakPolarHBondContact O-CG 3.47Å; F285-M289 PolarHBondContact O-N 2.82Å; L286-M289 PolarHBondContact O-N 3.43Å; A287-M289 VanDerWaalsContact C-N 3.34Å; A287-M289 PolarHBondContact O-N 3.49Å; M289-V292 HydrophobicContact CE-CG2 4.19Å; M289-V292 PolarHBondContact O-N 2.94Å; M289-A293 VanDerWaalsContact O-CB 3.23Å; M289-A293 WeakPolarHBondContact O-CB 3.32Å; M289-A293 PolarHBondContact O-N 2.98Å; M289-F346 HydrophobicContact CB-CD1 4.29Å; M289-F346 HydrophobicContact CB-CE1 4.06Å; M289-F346 HydrophobicContact CG-CD1 4.08Å; M289-F346 HydrophobicContact CG-CE1 4.28Å; M289-G347 VanDerWaalsContact SD-CA 3.53Å; M289-L350 HydrophobicContact CB-CD1 3.91Å |
| 290 | G | 97.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L286 A287 I288 A294 | L286-G290 PolarHBondContact O-N 3.41Å; A287-G290 PolarHBondContact O-N 3.44Å; I288-G290 VanDerWaalsContact C-N 3.27Å; I288-G290 PolarHBondContact O-N 3.03Å; G290-A294 WeakPolarHBondContact O-CB 3.21Å; G290-A294 PolarHBondContact O-N 3.33Å |
| 291 | V | 98.5 | Very high | 97.7 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 16% | 0.164 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 175.1 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | I156 T159 P160 A287 I288 A293 A294 V295 | I156-V291 HydrophobicContact CB-CG1 4.46Å; I156-V291 HydrophobicContact CG1-CG1 4.45Å; I156-V291 HydrophobicContact CG2-CG1 4.27Å; T159-V291 HydrophobicContact CG2-CG2 3.95Å; P160-V291 HydrophobicContact CG-CG2 3.89Å; A287-V291 PolarHBondContact O-N 2.95Å; A287-V291 VanDerWaalsContact O-N 3.09Å; I288-V291 WeakPolarHBondContact O-CA 3.26Å; I288-V291 WeakPolarHBondContact O-CB 3.32Å; I288-V291 PolarHBondContact O-N 3.34Å; V291-A293 VanDerWaalsContact C-N 3.34Å; V291-A293 PolarHBondContact O-N 3.35Å; V291-A294 WeakPolarHBondContact O-CB 3.28Å; V291-A294 PolarHBondContact O-N 3.5Å; V291-A294 VanDerWaalsContact O-N 3.15Å; V291-V295 PolarHBondContact O-N 3.02Å |
| 292 | V | 98.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 30% | 0.303 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -45 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | I288 M289 A294 V295 F296 C351 | I288-V292 HydrophobicContact CG2-CG2 4.14Å; I288-V292 WeakPolarHBondContact O-CG2 3.25Å; I288-V292 PolarHBondContact O-N 3.17Å; M289-V292 HydrophobicContact CE-CG2 4.19Å; M289-V292 PolarHBondContact O-N 2.94Å; V292-A294 VanDerWaalsContact C-N 3.27Å; V292-A294 PolarHBondContact O-N 3.08Å; V292-V295 WeakPolarHBondContact O-CB 3.49Å; V292-V295 PolarHBondContact O-N 2.84Å; V292-F296 HydrophobicContact CG1-CD2 4.21Å; V292-F296 HydrophobicContact CG1-CE2 4.06Å; V292-F296 WeakPolarHBondContact O-CD2 3.45Å; V292-F296 PolarHBondContact O-N 3.07Å; V292-C351 VanDerWaalsContact CG1-SG 3.57Å |
| 293 | A | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M289 V291 V295 F296 N297 L350 Y354 | M289-A293 VanDerWaalsContact O-CB 3.23Å; M289-A293 WeakPolarHBondContact O-CB 3.32Å; M289-A293 PolarHBondContact O-N 2.98Å; V291-A293 VanDerWaalsContact C-N 3.34Å; V291-A293 PolarHBondContact O-N 3.35Å; A293-V295 PolarHBondContact O-N 2.96Å; A293-F296 PolarHBondContact O-N 3.11Å; A293-N297 PolarHBondContact O-N 3.13Å; A293-L350 HydrophobicContact CB-CB 4.26Å; A293-Y354 HydrophobicContact CB-CD1 4.25Å; A293-Y354 HydrophobicContact CB-CD2 3.74Å; A293-Y354 HydrophobicContact CB-CE2 4.25Å; A293-Y354 HydrophobicContact CB-CG 3.73Å; A293-Y354 VanDerWaalsContact O-CB 3.28Å; A293-Y354 WeakPolarHBondContact O-CB 3.42Å |
| 294 | A | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -33.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P155 I156 G290 V291 V292 N297 S298 | P155-A294 HydrophobicContact CB-CB 3.67Å; P155-A294 HydrophobicContact CG-CB 3.86Å; I156-A294 HydrophobicContact CG1-CB 3.93Å; G290-A294 WeakPolarHBondContact O-CB 3.21Å; G290-A294 PolarHBondContact O-N 3.33Å; V291-A294 WeakPolarHBondContact O-CB 3.28Å; V291-A294 PolarHBondContact O-N 3.5Å; V291-A294 VanDerWaalsContact O-N 3.15Å; V292-A294 VanDerWaalsContact C-N 3.27Å; V292-A294 PolarHBondContact O-N 3.08Å; A294-N297 WeakPolarHBondContact O-CB 3.16Å; A294-N297 PolarHBondContact O-N 3.04Å; A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.4Å |
| 295 | V | 98.4 | Very high | 97.1 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 170.4 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | I156 V291 V292 A293 N297 S298 V299 | I156-V295 HydrophobicContact CD1-CB 4.42Å; I156-V295 HydrophobicContact CD1-CG2 3.65Å; I156-V295 HydrophobicContact CG1-CG2 4.07Å; V291-V295 PolarHBondContact O-N 3.02Å; V292-V295 WeakPolarHBondContact O-CB 3.49Å; V292-V295 PolarHBondContact O-N 2.84Å; A293-V295 PolarHBondContact O-N 2.96Å; V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 3.06Å; V295-S298 PolarHBondContact O-N 3.48Å; V295-V299 HydrophobicContact CG1-CG2 4.15Å; V295-V299 WeakPolarHBondContact O-CB 3.47Å; V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 2.89Å |
| 296 | F | 98.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 31.4 Ų | 31.4 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64 | -34.5 | 176 | -81.4 | -93.6 | 0 | 0 | 0 | 112.3 | V292 A293 G300 C351 L355 | V292-F296 HydrophobicContact CG1-CD2 4.21Å; V292-F296 HydrophobicContact CG1-CE2 4.06Å; V292-F296 WeakPolarHBondContact O-CD2 3.45Å; V292-F296 PolarHBondContact O-N 3.07Å; A293-F296 PolarHBondContact O-N 3.11Å; F296-G300 VanDerWaalsContact O-CA 3.23Å; F296-G300 WeakPolarHBondContact O-CA 3.3Å; F296-G300 PolarHBondContact O-N 3.07Å; F296-C351 HydrophobicContact CD1-CB 4.23Å; F296-C351 HydrophobicContact CD2-CB 3.69Å; F296-C351 HydrophobicContact CE1-CB 4.29Å; F296-C351 HydrophobicContact CE2-CB 3.77Å; F296-C351 VanDerWaalsContact CE2-SG 3.6Å; F296-C351 HydrophobicContact CG-CB 3.94Å; F296-C351 HydrophobicContact CZ-CB 4.07Å; F296-L355 HydrophobicContact CB-CB 4.28Å; F296-L355 HydrophobicContact CD1-CB 4.16Å; F296-L355 HydrophobicContact CD1-CD1 4.42Å; F296-L355 HydrophobicContact CD1-CD2 4.39Å |
| 297 | N | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -49.1 | 172 | -163.7 | -85.8 | 0 | 0 | 0 | 111.2 | G152 A293 A294 V295 R301 Y354 I357 S358 | G152-N297 WeakPolarHBondContact CA-OD1 3.05Å; A293-N297 PolarHBondContact O-N 3.13Å; A294-N297 WeakPolarHBondContact O-CB 3.16Å; A294-N297 PolarHBondContact O-N 3.04Å; V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 3.06Å; N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.32Å; N297-R301 PolarHBondContact O-N 3.11Å; N297-R301 VanDerWaalsContact O-N 3.17Å; N297-R301 PolarHBondContact OD1-NE 3.1Å; N297-R301 PolarHBondContact OD1-NH2 3.15Å; N297-Y354 WeakPolarHBondContact CA-O 3.29Å; N297-Y354 HydrophobicContact CB-CD1 4.09Å; N297-Y354 PolarHBondContact ND2-O 3.25Å; N297-I357 WeakPolarHBondContact ND2-CG2 3.39Å; N297-S358 WeakPolarHBondContact O-CB 3.26Å |
| 298 | S | 97.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -55.4 | -177.6 | -176 | 0 | 0 | 0 | 0 | 112.3 | G149 A294 V295 G300 R301 | G149-S298 WeakPolarHBondContact O-CB 3.17Å; G149-S298 PolarHBondContact O-OG 3.27Å; A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3.4Å; V295-S298 PolarHBondContact O-N 3.48Å; S298-G300 VanDerWaalsContact C-N 3.31Å; S298-G300 PolarHBondContact O-N 3.43Å; S298-R301 PolarHBondContact O-N 2.67Å |
| 299 | V | 97.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 31.7 Ų | 31.7 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -64.9 | -38.9 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | V295 R301 A302 F303 | V295-V299 HydrophobicContact CG1-CG2 4.15Å; V295-V299 WeakPolarHBondContact O-CB 3.47Å; V295-V299 WeakPolarHBondContact O-CG2 3.38Å; V295-V299 PolarHBondContact O-N 2.89Å; V299-R301 VanDerWaalsContact C-N 3.28Å; V299-R301 PolarHBondContact O-N 3.38Å; V299-A302 PolarHBondContact O-N 3.25Å; V299-F303 PolarHBondContact O-N 3.21Å |
| 300 | G | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F296 S298 A302 F303 W304 S358 | F296-G300 VanDerWaalsContact O-CA 3.23Å; F296-G300 WeakPolarHBondContact O-CA 3.3Å; F296-G300 PolarHBondContact O-N 3.07Å; S298-G300 VanDerWaalsContact C-N 3.31Å; S298-G300 PolarHBondContact O-N 3.43Å; G300-A302 PolarHBondContact O-N 3.33Å; G300-F303 WeakPolarHBondContact O-CB 3.42Å; G300-F303 PolarHBondContact O-N 2.82Å; G300-W304 WeakPolarHBondContact O-CB 3.39Å; G300-W304 PolarHBondContact O-N 2.69Å; G300-S358 VanDerWaalsContact CA-OG 3.29Å; G300-S358 WeakPolarHBondContact CA-OG 3.27Å |
| 301 | R | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 177.3 | -69.2 | 178.2 | -167.5 | -108.9 | 11.1 | 112.7 | Y28 G145 V148 N297 S298 V299 G305 S358 V362 | Y28-R301 PolarHBondContact OH-NH2 3.28Å; G145-R301 WeakPolarHBondContact CA-O 3.34Å; G145-R301 WeakPolarHBondContact O-CB 3.41Å; V148-R301 WeakPolarHBondContact O-CD 3.44Å; N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.32Å; N297-R301 PolarHBondContact O-N 3.11Å; N297-R301 VanDerWaalsContact O-N 3.17Å; N297-R301 PolarHBondContact OD1-NE 3.1Å; N297-R301 PolarHBondContact OD1-NH2 3.15Å; S298-R301 PolarHBondContact O-N 2.67Å; V299-R301 VanDerWaalsContact C-N 3.28Å; V299-R301 PolarHBondContact O-N 3.38Å; R301-G305 PolarHBondContact O-N 2.89Å; R301-S358 PolarHBondContact N-OG 3.18Å; R301-V362 HydrophobicContact CB-CG2 3.52Å; R301-V362 HydrophobicContact CG-CG2 3.63Å |
| 302 | A | 93.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L146 V299 G300 G305 A306 | L146-A302 HydrophobicContact CD2-CB 4.23Å; V299-A302 PolarHBondContact O-N 3.25Å; G300-A302 PolarHBondContact O-N 3.33Å; A302-G305 PolarHBondContact O-N 3.27Å; A302-A306 PolarHBondContact O-N 3.49Å |
| 303 | F | 95.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 40.3 Ų | 40.3 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -52.6 | 177.7 | 172.7 | -103.7 | 0 | 0 | 0 | 112.6 | V299 G300 G305 A306 I307 | V299-F303 PolarHBondContact O-N 3.21Å; G300-F303 WeakPolarHBondContact O-CB 3.42Å; G300-F303 PolarHBondContact O-N 2.82Å; F303-G305 VanDerWaalsContact C-N 3.32Å; F303-G305 PolarHBondContact O-N 2.72Å; F303-A306 PolarHBondContact O-N 2.95Å; F303-I307 HydrophobicContact CD1-CD1 3.96Å; F303-I307 HydrophobicContact CD2-CD1 4.42Å; F303-I307 HydrophobicContact CE1-CD1 3.38Å; F303-I307 HydrophobicContact CE2-CD1 3.9Å; F303-I307 HydrophobicContact CG-CD1 4.46Å; F303-I307 HydrophobicContact CZ-CD1 3.36Å; F303-I307 HydrophobicContact CZ-CG1 4.47Å; F303-I307 PolarHBondContact O-N 2.72Å |
| 304 | W | 95.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 10% | 0.095 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -32.4 | 178.6 | -64.4 | 120.3 | 0 | 0 | 0 | 112.4 | G300 I307 S308 P316 I320 L355 L356 S358 F363 | G300-W304 WeakPolarHBondContact O-CB 3.39Å; G300-W304 PolarHBondContact O-N 2.69Å; W304-I307 HydrophobicContact CE3-CD1 3.66Å; W304-I307 HydrophobicContact CE3-CG2 4.42Å; W304-I307 HydrophobicContact CZ3-CD1 3.76Å; W304-I307 PolarHBondContact O-N 3.39Å; W304-S308 WeakPolarHBondContact O-CB 3.23Å; W304-S308 PolarHBondContact O-N 3.22Å; W304-P316 HydrophobicContact CE3-CB 4.42Å; W304-P316 HydrophobicContact CZ3-CB 4.26Å; W304-I320 HydrophobicContact CD2-CD1 3.76Å; W304-I320 HydrophobicContact CE3-CD1 3.9Å; W304-I320 HydrophobicContact CG-CD1 4.38Å; W304-I320 HydrophobicContact CH2-CD1 3.96Å; W304-I320 HydrophobicContact CH2-CG1 3.78Å; W304-I320 HydrophobicContact CZ2-CD1 3.81Å; W304-I320 HydrophobicContact CZ2-CG1 3.81Å; W304-I320 HydrophobicContact CZ3-CD1 4.01Å; W304-I320 HydrophobicContact CZ3-CG1 4.17Å; W304-L355 PolarHBondContact NE1-O 3.42Å; W304-L356 HydrophobicContact CZ2-CD2 4.35Å; W304-S358 VanDerWaalsContact CD1-OG 3.23Å; W304-S358 PolarHBondContact NE1-OG 3.36Å; W304-F363 HydrophobicContact CB-CZ 4.15Å; W304-F363 HydrophobicContact CE3-CE2 4.32Å; W304-F363 HydrophobicContact CE3-CZ 4.11Å |
| 305 | G | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G141 R301 A302 F303 I307 S308 D309 | G141-G305 CarbonylContact C-O 3.59Å; G141-G305 WeakPolarHBondContact O-CA 3.22Å; R301-G305 PolarHBondContact O-N 2.89Å; A302-G305 PolarHBondContact O-N 3.27Å; F303-G305 VanDerWaalsContact C-N 3.32Å; F303-G305 PolarHBondContact O-N 2.72Å; G305-I307 VanDerWaalsContact C-N 3.34Å; G305-I307 PolarHBondContact O-N 3.45Å; G305-S308 VanDerWaalsContact O-CB 3.3Å; G305-S308 WeakPolarHBondContact O-CB 3.31Å; G305-S308 PolarHBondContact O-N 3.1Å; G305-D309 PolarHBondContact O-N 3.45Å |
| 306 | A | 91.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L142 A302 F303 | L142-A306 HydrophobicContact CD1-CB 4.49Å; A302-A306 PolarHBondContact O-N 3.49Å; F303-A306 PolarHBondContact O-N 2.95Å |
| 307 | I | 91.4 | Very high | 91.6 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 172.1 | -77.8 | 175.4 | 0 | 0 | 0 | 110.7 | F303 W304 G305 D309 R310 I311 P316 F363 | F303-I307 HydrophobicContact CD1-CD1 3.96Å; F303-I307 HydrophobicContact CD2-CD1 4.42Å; F303-I307 HydrophobicContact CE1-CD1 3.38Å; F303-I307 HydrophobicContact CE2-CD1 3.9Å; F303-I307 HydrophobicContact CG-CD1 4.46Å; F303-I307 HydrophobicContact CZ-CD1 3.36Å; F303-I307 HydrophobicContact CZ-CG1 4.47Å; F303-I307 PolarHBondContact O-N 2.72Å; W304-I307 HydrophobicContact CE3-CD1 3.66Å; W304-I307 HydrophobicContact CE3-CG2 4.42Å; W304-I307 HydrophobicContact CZ3-CD1 3.76Å; W304-I307 PolarHBondContact O-N 3.39Å; G305-I307 VanDerWaalsContact C-N 3.34Å; G305-I307 PolarHBondContact O-N 3.45Å; I307-D309 PolarHBondContact O-N 2.9Å; I307-R310 PolarHBondContact O-N 3.37Å; I307-I311 HydrophobicContact CG2-CD1 3.76Å; I307-I311 HydrophobicContact CG2-CG1 3.99Å; I307-I311 VanDerWaalsContact O-CG1 3.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.46Å; I307-I311 PolarHBondContact O-N 2.97Å; I307-I311 VanDerWaalsContact O-N 3.09Å; I307-P316 HydrophobicContact CG2-CB 3.97Å; I307-P316 HydrophobicContact CG2-CG 3.46Å; I307-P316 VanDerWaalsContact CG2-CG 3.46Å; I307-F363 HydrophobicContact CG2-CZ 4.44Å |
| 308 | S | 87.1 | Confident | 91.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.4 | -41.2 | -179.9 | -155.4 | 0 | 0 | 0 | 0 | 112.5 | W304 G305 R310 S312 T366 | W304-S308 WeakPolarHBondContact O-CB 3.23Å; W304-S308 PolarHBondContact O-N 3.22Å; G305-S308 VanDerWaalsContact O-CB 3.3Å; G305-S308 WeakPolarHBondContact O-CB 3.31Å; G305-S308 PolarHBondContact O-N 3.1Å; S308-R310 VanDerWaalsContact C-N 3.26Å; S308-R310 PolarHBondContact O-N 3.17Å; S308-S312 PolarHBondContact O-N 3.49Å; S308-T366 WeakPolarHBondContact OG-CG2 3.02Å |
| 309 | D | 85.1 | Confident | 91.4 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.7 | -23.3 | 179.6 | -75.8 | -22.6 | 0 | 0 | 0 | 113 | G141 L142 G305 I307 | G141-D309 VanDerWaalsContact CA-OD1 3.26Å; G141-D309 WeakPolarHBondContact CA-OD1 3.27Å; G141-D309 WeakPolarHBondContact CA-OD2 3.44Å; G141-D309 PolarHBondContact N-OD1 3.16Å; G141-D309 PolarHBondContact N-OD2 3.3Å; L142-D309 PolarHBondContact N-OD2 2.95Å; G305-D309 PolarHBondContact O-N 3.45Å; I307-D309 PolarHBondContact O-N 2.9Å |
| 310 | R | 85.6 | Confident | 91.4 | Very high | 216 Ų | 216 | 35 Ų | 35 | 82% | 0.815 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -98.6 | -41.4 | -175.3 | -67.5 | -176.9 | -178.4 | -177.2 | 2 | 114.8 | I307 S308 | I307-R310 PolarHBondContact O-N 3.37Å; S308-R310 VanDerWaalsContact C-N 3.26Å; S308-R310 PolarHBondContact O-N 3.17Å |
| 311 | I | 82.7 | Confident | 91.4 | Very high | 73 Ų | 73 | 34.9 Ų | 34.9 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -118.1 | -23.1 | -166.5 | 7.3 | 178.8 | 0 | 0 | 0 | 114.9 | I307 P316 P435 F438 | I307-I311 HydrophobicContact CG2-CD1 3.76Å; I307-I311 HydrophobicContact CG2-CG1 3.99Å; I307-I311 VanDerWaalsContact O-CG1 3.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.46Å; I307-I311 PolarHBondContact O-N 2.97Å; I307-I311 VanDerWaalsContact O-N 3.09Å; I311-P316 HydrophobicContact CD1-CG 4.42Å; I311-P435 WeakPolarHBondContact O-CD 3.28Å; I311-F438 HydrophobicContact CG2-CE2 4.18Å |
| 312 | S | 86.3 | Confident | 91.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | 111.4 | 158.5 | -162.3 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | S308 K314 P316 D431 | S308-S312 PolarHBondContact O-N 3.49Å; S312-K314 PolarHBondContact OG-N 2.83Å; S312-P316 WeakPolarHBondContact O-CD 3.28Å; S312-P316 WeakPolarHBondContact O-CG 3.37Å; S312-D431 WeakPolarHBondContact CB-OD2 3.48Å; S312-D431 PolarHBondContact OG-OD2 3.12Å | ||
| 313 | F | 85.9 | Confident | 91.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.5 | -24.5 | 168.3 | 66.2 | -91.6 | 0 | 0 | 0 | 113.5 | L317 F363 A367 T370 L371 I429 D431 | F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.98Å; F313-F363 HydrophobicContact CB-CB 4.07Å; F313-F363 HydrophobicContact CB-CD1 3.42Å; F313-F363 VanDerWaalsContact CB-CD1 3.42Å; F313-F363 HydrophobicContact CB-CE1 4.04Å; F313-F363 HydrophobicContact CB-CG 3.85Å; F313-A367 HydrophobicContact CD1-CB 4.01Å; F313-A367 HydrophobicContact CD2-CB 3.78Å; F313-A367 HydrophobicContact CE1-CB 3.92Å; F313-A367 HydrophobicContact CE2-CB 3.67Å; F313-A367 HydrophobicContact CG-CB 3.95Å; F313-A367 HydrophobicContact CZ-CB 3.75Å; F313-T370 HydrophobicContact CE1-CG2 4.4Å; F313-L371 HydrophobicContact CZ-CD1 4.34Å; F313-L371 HydrophobicContact CZ-CG 4.5Å; F313-I429 HydrophobicContact CE2-CG2 4.14Å; F313-I429 HydrophobicContact CZ-CG2 3.91Å; F313-D431 HydrophobicContact CE1-CB 3.98Å; F313-D431 HydrophobicContact CZ-CB 4.02Å |
| 314 | K | 89.7 | Confident | 91.9 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -54.7 | -165.1 | -170.8 | 179 | 178.5 | 169.4 | 0 | 113.9 | S312 L317 C318 V426 P427 I429 M434 F441 | S312-K314 PolarHBondContact OG-N 2.83Å; K314-L317 PolarHBondContact O-N 3.4Å; K314-C318 PolarHBondContact O-N 2.95Å; K314-C318 VanDerWaalsContact O-N 3.14Å; K314-C318 PolarHBondContact O-SG 3.09Å; K314-V426 WeakPolarHBondContact CE-O 3.44Å; K314-V426 HydrophobicContact CG-CG1 3.65Å; K314-P427 VanDerWaalsContact CE-CA 3.45Å; K314-P427 WeakPolarHBondContact CE-O 3.36Å; K314-P427 PolarHBondContact NZ-O 3.18Å; K314-I429 PolarHBondContact NZ-O 3.22Å; K314-M434 HydrophobicContact CD-CE 4.45Å; K314-M434 HydrophobicContact CD-SD 3.99Å; K314-F441 PolarHBondContact NZ-O 3Å |
| 315 | V | 89.6 | Confident | 92.1 | Very high | 27 Ų | 27 | 34 Ų | 34 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | -178.6 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | L317 C318 I319 M434 F438 F441 | V315-L317 VanDerWaalsContact C-N 3.29Å; V315-L317 PolarHBondContact O-N 3.41Å; V315-C318 WeakPolarHBondContact O-CB 3.22Å; V315-C318 PolarHBondContact O-N 3.35Å; V315-I319 HydrophobicContact CG1-CD1 4.28Å; V315-I319 PolarHBondContact O-N 3.25Å; V315-M434 HydrophobicContact CG2-CE 3.52Å; V315-F438 HydrophobicContact CG1-CE1 4.45Å; V315-F438 HydrophobicContact CG2-CD1 4.11Å; V315-F438 HydrophobicContact CG2-CE1 4.44Å; V315-F438 HydrophobicContact CG2-CG 4.42Å; V315-F441 HydrophobicContact CG2-CD2 3.94Å; V315-F441 HydrophobicContact CG2-CE2 3.98Å |
| 316 | P | 93.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 174.5 | -26.4 | 37 | 0 | 0 | 0 | 112.9 | W304 I307 I311 S312 C318 I319 I320 F363 | W304-P316 HydrophobicContact CE3-CB 4.42Å; W304-P316 HydrophobicContact CZ3-CB 4.26Å; I307-P316 HydrophobicContact CG2-CB 3.97Å; I307-P316 HydrophobicContact CG2-CG 3.46Å; I307-P316 VanDerWaalsContact CG2-CG 3.46Å; I311-P316 HydrophobicContact CD1-CG 4.42Å; S312-P316 WeakPolarHBondContact O-CD 3.28Å; S312-P316 WeakPolarHBondContact O-CG 3.37Å; P316-C318 VanDerWaalsContact C-N 3.33Å; P316-C318 PolarHBondContact O-N 3.27Å; P316-I319 PolarHBondContact O-N 3.2Å; P316-I320 WeakPolarHBondContact O-CB 3.49Å; P316-I320 VanDerWaalsContact O-CG1 3.28Å; P316-I320 WeakPolarHBondContact O-CG1 3.11Å; P316-I320 PolarHBondContact O-N 3.48Å; P316-F363 HydrophobicContact CB-CE2 3.67Å; P316-F363 HydrophobicContact CB-CZ 3.48Å; P316-F363 VanDerWaalsContact CB-CZ 3.48Å; P316-F363 HydrophobicContact CG-CZ 4.17Å |
| 317 | L | 95 | Very high | 92.7 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.1 | -177.7 | 62.3 | 0 | 0 | 0 | 112.2 | I257 F313 K314 V315 I320 L321 V360 F363 V426 | I257-L317 HydrophobicContact CG2-CD2 4.3Å; F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.98Å; K314-L317 PolarHBondContact O-N 3.4Å; V315-L317 VanDerWaalsContact C-N 3.29Å; V315-L317 PolarHBondContact O-N 3.41Å; L317-I320 PolarHBondContact O-N 3.02Å; L317-L321 HydrophobicContact CD1-CD1 4.14Å; L317-L321 HydrophobicContact CD1-CG 4.19Å; L317-L321 HydrophobicContact CG-CD1 3.98Å; L317-L321 HydrophobicContact CG-CG 4.46Å; L317-L321 WeakPolarHBondContact O-CB 3.23Å; L317-L321 VanDerWaalsContact O-CG 3.28Å; L317-L321 WeakPolarHBondContact O-CG 3.3Å; L317-L321 PolarHBondContact O-N 3.29Å; L317-V360 HydrophobicContact CD1-CG2 4.16Å; L317-F363 HydrophobicContact CB-CD2 4.06Å; L317-F363 HydrophobicContact CD1-CD2 4.22Å; L317-V426 HydrophobicContact CD2-CG1 4.2Å; L317-V426 HydrophobicContact CD2-CG2 3.74Å; L317-V426 HydrophobicContact CG-CG2 3.94Å |
| 318 | C | 95.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 8% | 0.081 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.6 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | K314 V315 P316 I320 L321 L322 L423 V426 | K314-C318 PolarHBondContact O-N 2.95Å; K314-C318 VanDerWaalsContact O-N 3.14Å; K314-C318 PolarHBondContact O-SG 3.09Å; V315-C318 WeakPolarHBondContact O-CB 3.22Å; V315-C318 PolarHBondContact O-N 3.35Å; P316-C318 VanDerWaalsContact C-N 3.33Å; P316-C318 PolarHBondContact O-N 3.27Å; C318-I320 VanDerWaalsContact C-N 3.31Å; C318-I320 PolarHBondContact O-N 3.23Å; C318-L321 PolarHBondContact O-N 3.43Å; C318-L322 WeakPolarHBondContact O-CB 3.27Å; C318-L322 PolarHBondContact O-N 3.24Å; C318-L423 VanDerWaalsContact CA-CD1 3.49Å; C318-L423 HydrophobicContact CB-CD1 3.63Å; C318-L423 WeakPolarHBondContact O-CD1 3.28Å; C318-V426 WeakPolarHBondContact SG-CG1 3.46Å |
| 319 | I | 95.4 | Very high | 93.6 | Very high | 94 Ų | 94 | 40.4 Ų | 40.4 | 48% | 0.482 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.6 | -63.8 | 169.3 | 0 | 0 | 0 | 109.9 | V315 P316 L321 L322 C323 | V315-I319 HydrophobicContact CG1-CD1 4.28Å; V315-I319 PolarHBondContact O-N 3.25Å; P316-I319 PolarHBondContact O-N 3.2Å; I319-L321 PolarHBondContact O-N 3.16Å; I319-L322 PolarHBondContact O-N 3.13Å; I319-C323 WeakPolarHBondContact O-CB 3.4Å; I319-C323 PolarHBondContact O-N 3.45Å; I319-C323 PolarHBondContact O-SG 2.97Å; I319-C323 VanDerWaalsContact O-SG 3.35Å |
| 320 | I | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -52 | 178.3 | -73.8 | 177.2 | 0 | 0 | 0 | 110.9 | W304 P316 L317 C318 L322 C323 W324 L356 V360 F363 | W304-I320 HydrophobicContact CD2-CD1 3.76Å; W304-I320 HydrophobicContact CE3-CD1 3.9Å; W304-I320 HydrophobicContact CG-CD1 4.38Å; W304-I320 HydrophobicContact CH2-CD1 3.96Å; W304-I320 HydrophobicContact CH2-CG1 3.78Å; W304-I320 HydrophobicContact CZ2-CD1 3.81Å; W304-I320 HydrophobicContact CZ2-CG1 3.81Å; W304-I320 HydrophobicContact CZ3-CD1 4.01Å; W304-I320 HydrophobicContact CZ3-CG1 4.17Å; P316-I320 WeakPolarHBondContact O-CB 3.49Å; P316-I320 VanDerWaalsContact O-CG1 3.28Å; P316-I320 WeakPolarHBondContact O-CG1 3.11Å; P316-I320 PolarHBondContact O-N 3.48Å; L317-I320 PolarHBondContact O-N 3.02Å; C318-I320 VanDerWaalsContact C-N 3.31Å; C318-I320 PolarHBondContact O-N 3.23Å; I320-L322 VanDerWaalsContact C-N 3.32Å; I320-L322 PolarHBondContact O-N 3.45Å; I320-C323 PolarHBondContact O-N 3.17Å; I320-W324 WeakPolarHBondContact O-CB 3.46Å; I320-W324 PolarHBondContact O-N 3.27Å; I320-L356 HydrophobicContact CB-CD2 4.4Å; I320-L356 HydrophobicContact CG1-CD2 4.08Å; I320-L356 HydrophobicContact CG2-CB 4.11Å; I320-L356 HydrophobicContact CG2-CD2 4.39Å; I320-L356 VanDerWaalsContact CG2-O 3.28Å; I320-L356 WeakPolarHBondContact CG2-O 3.27Å; I320-V360 HydrophobicContact CG2-CG2 3.77Å; I320-F363 HydrophobicContact CD1-CD2 4.18Å; I320-F363 HydrophobicContact CD1-CE2 3.61Å |
| 321 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | -176.4 | -70.1 | 168.7 | 0 | 0 | 0 | 112.2 | L317 C318 I319 S325 C419 A422 L423 V426 | L317-L321 HydrophobicContact CD1-CD1 4.14Å; L317-L321 HydrophobicContact CD1-CG 4.19Å; L317-L321 HydrophobicContact CG-CD1 3.98Å; L317-L321 HydrophobicContact CG-CG 4.46Å; L317-L321 WeakPolarHBondContact O-CB 3.23Å; L317-L321 VanDerWaalsContact O-CG 3.28Å; L317-L321 WeakPolarHBondContact O-CG 3.3Å; L317-L321 PolarHBondContact O-N 3.29Å; C318-L321 PolarHBondContact O-N 3.43Å; I319-L321 PolarHBondContact O-N 3.16Å; L321-S325 WeakPolarHBondContact O-CB 3.45Å; L321-S325 PolarHBondContact O-N 3.22Å; L321-C419 HydrophobicContact CD2-CB 4.47Å; L321-A422 HydrophobicContact CD1-CB 3.84Å; L321-A422 HydrophobicContact CD2-CB 4Å; L321-L423 HydrophobicContact CB-CB 4.03Å; L321-L423 HydrophobicContact CB-CD1 4.39Å; L321-L423 HydrophobicContact CD1-CB 4.33Å; L321-V426 HydrophobicContact CD1-CG2 3.62Å |
| 322 | L | 98.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.4 | -53.6 | 175.1 | -179.3 | 63.3 | 0 | 0 | 0 | 111.6 | C318 I319 I320 W324 S325 L326 L423 | C318-L322 WeakPolarHBondContact O-CB 3.27Å; C318-L322 PolarHBondContact O-N 3.24Å; I319-L322 PolarHBondContact O-N 3.13Å; I320-L322 VanDerWaalsContact C-N 3.32Å; I320-L322 PolarHBondContact O-N 3.45Å; L322-W324 VanDerWaalsContact C-N 3.25Å; L322-W324 PolarHBondContact O-N 2.89Å; L322-S325 WeakPolarHBondContact O-CB 3.38Å; L322-S325 PolarHBondContact O-N 3.25Å; L322-L326 WeakPolarHBondContact O-CG 3.33Å; L322-L326 PolarHBondContact O-N 2.96Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L322-L423 HydrophobicContact CB-CD2 4.09Å; L322-L423 HydrophobicContact CD1-CD2 4.24Å |
| 323 | C | 98.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 28 Ų | 28 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.8 | -36.6 | 179 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | I319 I320 L326 L327 L356 | I319-C323 WeakPolarHBondContact O-CB 3.4Å; I319-C323 PolarHBondContact O-N 3.45Å; I319-C323 PolarHBondContact O-SG 2.97Å; I319-C323 VanDerWaalsContact O-SG 3.35Å; I320-C323 PolarHBondContact O-N 3.17Å; C323-L326 PolarHBondContact O-N 3.3Å; C323-L327 WeakPolarHBondContact O-CG 3.36Å; C323-L327 PolarHBondContact O-N 3.38Å; C323-L356 HydrophobicContact CB-CD1 3.69Å; C323-L356 HydrophobicContact CB-CD2 4.13Å |
| 324 | W | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -41 | -178.9 | -159.9 | 34.8 | 0 | 0 | 0 | 110.9 | A261 P264 L268 I320 L322 L326 L327 L328 L356 I357 V360 | A261-W324 HydrophobicContact CB-CZ3 4.28Å; P264-W324 HydrophobicContact CB-CH2 3.53Å; P264-W324 HydrophobicContact CB-CZ2 3.67Å; P264-W324 HydrophobicContact CB-CZ3 4.03Å; P264-W324 HydrophobicContact CG-CE3 4.18Å; P264-W324 HydrophobicContact CG-CH2 3.32Å; P264-W324 HydrophobicContact CG-CZ2 4Å; P264-W324 HydrophobicContact CG-CZ3 3.42Å; P264-W324 VanDerWaalsContact CG-CZ3 3.42Å; L268-W324 HydrophobicContact CD1-CZ2 4.03Å; I320-W324 WeakPolarHBondContact O-CB 3.46Å; I320-W324 PolarHBondContact O-N 3.27Å; L322-W324 VanDerWaalsContact C-N 3.25Å; L322-W324 PolarHBondContact O-N 2.89Å; W324-L326 VanDerWaalsContact C-N 3.33Å; W324-L326 PolarHBondContact O-N 3.19Å; W324-L327 PolarHBondContact O-N 3.01Å; W324-L328 HydrophobicContact CD2-CD1 4.03Å; W324-L328 HydrophobicContact CG-CD1 4.07Å; W324-L328 VanDerWaalsContact O-CB 3.31Å; W324-L328 WeakPolarHBondContact O-CB 3.4Å; W324-L328 WeakPolarHBondContact O-CD1 3.14Å; W324-L328 VanDerWaalsContact O-CG 3.25Å; W324-L328 WeakPolarHBondContact O-CG 3.28Å; W324-L328 PolarHBondContact O-N 2.95Å; W324-L356 HydrophobicContact CB-CB 4.23Å; W324-L356 HydrophobicContact CB-CD1 3.95Å; W324-L356 HydrophobicContact CG-CB 4.19Å; W324-L356 HydrophobicContact CG-CD1 4.43Å; W324-I357 HydrophobicContact CH2-CB 4.19Å; W324-I357 HydrophobicContact CH2-CD1 3.87Å; W324-I357 HydrophobicContact CH2-CG1 3.66Å; W324-I357 HydrophobicContact CZ2-CB 3.73Å; W324-I357 HydrophobicContact CZ2-CD1 3.61Å; W324-I357 HydrophobicContact CZ2-CG1 3.6Å; W324-V360 HydrophobicContact CZ3-CG2 4.44Å |
| 325 | S | 98.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | L321 L322 L328 T329 A416 I420 | L321-S325 WeakPolarHBondContact O-CB 3.45Å; L321-S325 PolarHBondContact O-N 3.22Å; L322-S325 WeakPolarHBondContact O-CB 3.38Å; L322-S325 PolarHBondContact O-N 3.25Å; S325-L328 PolarHBondContact O-N 3.5Å; S325-T329 WeakPolarHBondContact O-CB 3.32Å; S325-T329 PolarHBondContact O-N 3.01Å; S325-T329 PolarHBondContact O-OG1 3.23Å; S325-A416 WeakPolarHBondContact O-CB 3.41Å; S325-A416 PolarHBondContact OG-O 3.25Å; S325-I420 WeakPolarHBondContact OG-CD1 3.37Å; S325-I420 WeakPolarHBondContact OG-CG1 3.37Å |
| 326 | L | 98.4 | Very high | 97.1 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 56% | 0.56 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -65.2 | -44.2 | 179.8 | -67.8 | 173.3 | 0 | 0 | 0 | 112 | L322 C323 W324 T329 S330 | L322-L326 WeakPolarHBondContact O-CG 3.33Å; L322-L326 PolarHBondContact O-N 2.96Å; L322-L326 VanDerWaalsContact O-N 3.12Å; C323-L326 PolarHBondContact O-N 3.3Å; W324-L326 VanDerWaalsContact C-N 3.33Å; W324-L326 PolarHBondContact O-N 3.19Å; L326-T329 PolarHBondContact O-N 3.49Å; L326-S330 PolarHBondContact O-N 3.22Å; L326-S330 VanDerWaalsContact O-N 3.16Å; L326-S330 PolarHBondContact O-OG 2.58Å |
| 327 | L | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.5 | -69.8 | -176.2 | 0 | 0 | 0 | 111.8 | C323 W324 S330 F331 W349 L353 L356 | C323-L327 WeakPolarHBondContact O-CG 3.36Å; C323-L327 PolarHBondContact O-N 3.38Å; W324-L327 PolarHBondContact O-N 3.01Å; L327-S330 PolarHBondContact O-N 3.32Å; L327-S330 PolarHBondContact O-OG 2.9Å; L327-F331 WeakPolarHBondContact O-CB 3.45Å; L327-F331 PolarHBondContact O-N 3.38Å; L327-W349 HydrophobicContact CD2-CD2 4.28Å; L327-W349 HydrophobicContact CD2-CG 4.36Å; L327-W349 HydrophobicContact CD2-CZ2 4.44Å; L327-W349 PolarHBondContact O-NE1 3.35Å; L327-L353 HydrophobicContact CB-CD2 3.56Å; L327-L353 HydrophobicContact CB-CG 4.16Å; L327-L353 HydrophobicContact CD1-CD2 4.39Å; L327-L353 HydrophobicContact CD1-CG 4.4Å; L327-L356 HydrophobicContact CD1-CD1 3.78Å |
| 328 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 177.3 | -76.7 | 163.9 | 0 | 0 | 0 | 111.8 | P264 L268 W324 S325 S330 F331 P332 L353 F412 C415 A416 C419 | P264-L328 HydrophobicContact CB-CD1 3.77Å; P264-L328 HydrophobicContact CB-CD2 4.45Å; L268-L328 HydrophobicContact CD1-CD2 3.99Å; L268-L328 HydrophobicContact CD2-CD2 4.35Å; L268-L328 HydrophobicContact CG-CD2 4.25Å; W324-L328 HydrophobicContact CD2-CD1 4.03Å; W324-L328 HydrophobicContact CG-CD1 4.07Å; W324-L328 VanDerWaalsContact O-CB 3.31Å; W324-L328 WeakPolarHBondContact O-CB 3.4Å; W324-L328 WeakPolarHBondContact O-CD1 3.14Å; W324-L328 VanDerWaalsContact O-CG 3.25Å; W324-L328 WeakPolarHBondContact O-CG 3.28Å; W324-L328 PolarHBondContact O-N 2.95Å; S325-L328 PolarHBondContact O-N 3.5Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 2.92Å; L328-F331 PolarHBondContact O-N 2.91Å; L328-P332 VanDerWaalsContact O-CD 3.31Å; L328-P332 WeakPolarHBondContact O-CD 3.28Å; L328-L353 HydrophobicContact CD2-CD2 4Å; L328-L353 HydrophobicContact CG-CD2 3.85Å; L328-F412 HydrophobicContact CD2-CD1 4.12Å; L328-C415 HydrophobicContact CD1-CB 4.07Å; L328-C415 HydrophobicContact CD2-CB 4.06Å; L328-A416 HydrophobicContact CB-CB 3.99Å; L328-C419 VanDerWaalsContact CD1-SG 3.59Å |
| 329 | T | 98.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | S325 L326 H333 Y413 A416 | S325-T329 WeakPolarHBondContact O-CB 3.32Å; S325-T329 PolarHBondContact O-N 3.01Å; S325-T329 PolarHBondContact O-OG1 3.23Å; L326-T329 PolarHBondContact O-N 3.49Å; T329-H333 PolarHBondContact O-CD2 2.7Å; T329-Y413 HydrophobicContact CG2-CD1 4.18Å; T329-Y413 HydrophobicContact CG2-CE1 4.12Å; T329-A416 WeakPolarHBondContact OG1-CB 3.44Å |
| 330 | S | 97.5 | Very high | 97.2 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.3 | -16 | -177.4 | 51 | 0 | 0 | 0 | 0 | 114.4 | L326 L327 L328 H333 W349 | L326-S330 PolarHBondContact O-N 3.22Å; L326-S330 VanDerWaalsContact O-N 3.16Å; L326-S330 PolarHBondContact O-OG 2.58Å; L327-S330 PolarHBondContact O-N 3.32Å; L327-S330 PolarHBondContact O-OG 2.9Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 2.92Å; S330-H333 PolarHBondContact O-N 3.42Å; S330-H333 VanDerWaalsContact O-N 3.09Å; S330-W349 PolarHBondContact OG-NE1 3.03Å |
| 331 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -57.4 | -46.9 | -178.5 | -168.5 | -116.6 | 0 | 0 | 0 | 115.1 | F275 L327 L328 H333 L334 F346 W349 L353 F412 | F275-F331 AromaticContact CD1-CD1 3.99Å; F275-F331 HydrophobicContact CD1-CD1 3.99Å; F275-F331 AromaticContact CD1-CE1 3.29Å; F275-F331 HydrophobicContact CD1-CE1 3.29Å; F275-F331 AromaticContact CD1-CZ 3.63Å; F275-F331 HydrophobicContact CD1-CZ 3.63Å; F275-F331 AromaticContact CE1-CD1 3.96Å; F275-F331 HydrophobicContact CE1-CD1 3.96Å; F275-F331 AromaticContact CE1-CE1 3.65Å; F275-F331 HydrophobicContact CE1-CE1 3.65Å; F275-F331 HydrophobicContact CE1-CE2 4.38Å; F275-F331 HydrophobicContact CE1-CG 4.46Å; F275-F331 AromaticContact CE1-CZ 3.89Å; F275-F331 HydrophobicContact CE1-CZ 3.89Å; F275-F331 HydrophobicContact CG-CE1 4.08Å; F275-F331 WeakPolarHBondContact CZ-O 3.47Å; L327-F331 WeakPolarHBondContact O-CB 3.45Å; L327-F331 PolarHBondContact O-N 3.38Å; L328-F331 PolarHBondContact O-N 2.91Å; F331-H333 PolarHBondContact O-N 3.46Å; F331-L334 HydrophobicContact CD2-CD1 3.57Å; F331-L334 HydrophobicContact CD2-CG 4.42Å; F331-L334 HydrophobicContact CE2-CD1 3.72Å; F331-L334 HydrophobicContact CG-CD1 4.48Å; F331-L334 VanDerWaalsContact O-CG 3.24Å; F331-L334 WeakPolarHBondContact O-CG 3.35Å; F331-L334 PolarHBondContact O-N 3.1Å; F331-F346 HydrophobicContact CE2-CD2 4.15Å; F331-F346 HydrophobicContact CE2-CE2 4.24Å; F331-F346 HydrophobicContact CZ-CD2 4.13Å; F331-F346 AromaticContact CZ-CE2 3.77Å; F331-F346 HydrophobicContact CZ-CE2 3.77Å; F331-W349 HydrophobicContact CD2-CB 3.77Å; F331-W349 AromaticContact CD2-CD1 3.8Å; F331-W349 HydrophobicContact CD2-CG 4.09Å; F331-W349 HydrophobicContact CE2-CB 4.05Å; F331-L353 HydrophobicContact CD2-CD1 3.88Å; F331-L353 HydrophobicContact CE2-CD1 4.09Å; F331-L353 HydrophobicContact CG-CD1 4.2Å; F331-F412 HydrophobicContact CD1-CD1 4.13Å; F331-F412 HydrophobicContact CD1-CD2 4.16Å; F331-F412 AromaticContact CD1-CE1 3.71Å; F331-F412 HydrophobicContact CD1-CE1 3.71Å; F331-F412 AromaticContact CD1-CE2 3.74Å; F331-F412 HydrophobicContact CD1-CE2 3.74Å; F331-F412 HydrophobicContact CD1-CG 4.37Å; F331-F412 AromaticContact CD1-CZ 3.52Å; F331-F412 HydrophobicContact CD1-CZ 3.52Å; F331-F412 HydrophobicContact CE1-CE1 4.06Å; F331-F412 HydrophobicContact CE1-CE2 4.1Å; F331-F412 AromaticContact CE1-CZ 3.62Å; F331-F412 HydrophobicContact CE1-CZ 3.62Å |
| 332 | P | 96.7 | Very high | 97 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.5 | -23.2 | 175.7 | 22.2 | -32.4 | 0 | 0 | 0 | 113.3 | L328 P335 D409 F412 Y413 | L328-P332 VanDerWaalsContact O-CD 3.31Å; L328-P332 WeakPolarHBondContact O-CD 3.28Å; P332-P335 VanDerWaalsContact O-CD 3.28Å; P332-P335 WeakPolarHBondContact O-CD 3.47Å; P332-D409 HydrophobicContact CB-CB 4.32Å; P332-D409 VanDerWaalsContact CB-OD1 3.23Å; P332-D409 WeakPolarHBondContact CB-OD1 3.36Å; P332-F412 HydrophobicContact CB-CD2 4.22Å; P332-F412 HydrophobicContact CG-CB 4.08Å; P332-F412 HydrophobicContact CG-CD2 4.33Å; P332-Y413 HydrophobicContact CG-CE1 4.33Å |
| 333 | H | 97.1 | Very high | 97 | Very high | 54 Ų | 54 | 51.6 Ų | 51.6 | 25% | 0.25 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -89.6 | 4.6 | -177.3 | -59.8 | -59.9 | 0 | 0 | 0 | 114.6 | T329 S330 F331 P335 L336 I337 Y413 | T329-H333 PolarHBondContact O-CD2 2.7Å; S330-H333 PolarHBondContact O-N 3.42Å; S330-H333 VanDerWaalsContact O-N 3.09Å; F331-H333 PolarHBondContact O-N 3.46Å; H333-P335 VanDerWaalsContact C-N 3.3Å; H333-L336 WeakPolarHBondContact O-CB 3.4Å; H333-L336 PolarHBondContact O-N 3.13Å; H333-I337 HydrophobicContact CB-CD1 4.07Å; H333-I337 HydrophobicContact CB-CG1 4.45Å; H333-I337 WeakPolarHBondContact O-CG1 3.32Å; H333-I337 PolarHBondContact O-N 3.46Å; H333-Y413 PolarHBondContact CE1-OH 3.49Å; H333-Y413 AromaticContact NE2-CE1 3.75Å; H333-Y413 AromaticContact NE2-CZ 3.59Å; H333-Y413 PolarHBondContact NE2-OH 3.03Å |
| 334 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52 | -39.2 | 176.2 | -73.3 | 176.6 | 0 | 0 | 0 | 114.5 | F331 L336 I337 F338 I342 F346 W349 | F331-L334 HydrophobicContact CD2-CD1 3.57Å; F331-L334 HydrophobicContact CD2-CG 4.42Å; F331-L334 HydrophobicContact CE2-CD1 3.72Å; F331-L334 HydrophobicContact CG-CD1 4.48Å; F331-L334 VanDerWaalsContact O-CG 3.24Å; F331-L334 WeakPolarHBondContact O-CG 3.35Å; F331-L334 PolarHBondContact O-N 3.1Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 2.96Å; L334-I337 PolarHBondContact O-N 2.93Å; L334-F338 HydrophobicContact CD2-CD2 3.73Å; L334-F338 HydrophobicContact CD2-CE2 3.65Å; L334-F338 PolarHBondContact O-N 3.39Å; L334-I342 HydrophobicContact CB-CD1 4.47Å; L334-I342 HydrophobicContact CB-CG1 4.22Å; L334-F346 HydrophobicContact CD1-CB 4.35Å; L334-F346 HydrophobicContact CD1-CD2 4.31Å; L334-W349 HydrophobicContact CD1-CB 4.21Å; L334-W349 HydrophobicContact CD1-CG 4.32Å; L334-W349 HydrophobicContact CD2-CD2 3.71Å; L334-W349 HydrophobicContact CD2-CE3 3.91Å; L334-W349 HydrophobicContact CD2-CG 4.01Å; L334-W349 HydrophobicContact CD2-CZ2 4.47Å; L334-W349 HydrophobicContact CD2-CZ3 4.38Å |
| 335 | P | 95.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 25% | 0.253 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.4 | -20.3 | 31.3 | 0 | 0 | 0 | 112.9 | H279 P332 H333 G339 I342 | H279-P335 VanDerWaalsContact CE1-CG 3.46Å; H279-P335 WeakPolarHBondContact CE1-CG 3.35Å; H279-P335 VanDerWaalsContact NE2-CG 3.34Å; H279-P335 WeakPolarHBondContact NE2-CG 3.49Å; P332-P335 VanDerWaalsContact O-CD 3.28Å; P332-P335 WeakPolarHBondContact O-CD 3.47Å; H333-P335 VanDerWaalsContact C-N 3.3Å; P335-G339 WeakPolarHBondContact O-CA 3.5Å; P335-G339 PolarHBondContact O-N 3.3Å; P335-I342 HydrophobicContact CB-CD1 4.1Å; P335-I342 HydrophobicContact CG-CD1 3.73Å |
| 336 | L | 96 | Very high | 96.9 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 79% | 0.791 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73.5 | -40.2 | 178 | -178.9 | 64.9 | 0 | 0 | 0 | 111.7 | H333 L334 | H333-L336 WeakPolarHBondContact O-CB 3.4Å; H333-L336 PolarHBondContact O-N 3.13Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 2.96Å |
| 337 | I | 96.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.5 | -42 | -176 | -63 | 164.6 | 0 | 0 | 0 | 111.6 | H333 L334 | H333-I337 HydrophobicContact CB-CD1 4.07Å; H333-I337 HydrophobicContact CB-CG1 4.45Å; H333-I337 WeakPolarHBondContact O-CG1 3.32Å; H333-I337 PolarHBondContact O-N 3.46Å; L334-I337 PolarHBondContact O-N 2.93Å |
| 338 | F | 96.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 51 Ų | 51 | 20% | 0.197 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -108.2 | -19.7 | -171.9 | -73.1 | -89.5 | 0 | 0 | 0 | 114.2 | L334 P340 Q341 G345 W349 | L334-F338 HydrophobicContact CD2-CD2 3.73Å; L334-F338 HydrophobicContact CD2-CE2 3.65Å; L334-F338 PolarHBondContact O-N 3.39Å; F338-P340 VanDerWaalsContact O-N 3.16Å; F338-Q341 HydrophobicContact CB-CB 4.43Å; F338-Q341 HydrophobicContact CD1-CB 4.45Å; F338-Q341 PolarHBondContact O-N 3.24Å; F338-G345 VanDerWaalsContact CE2-CA 3.42Å; F338-G345 VanDerWaalsContact CZ-CA 3.43Å; F338-W349 HydrophobicContact CE2-CE3 4.3Å; F338-W349 HydrophobicContact CE2-CH2 4.11Å; F338-W349 AromaticContact CE2-CZ3 3.73Å; F338-W349 HydrophobicContact CE2-CZ3 3.73Å; F338-W349 HydrophobicContact CZ-CH2 4.38Å; F338-W349 AromaticContact CZ-CZ3 3.79Å; F338-W349 HydrophobicContact CZ-CZ3 3.79Å |
| 339 | G | 94.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | 50.2 | -119.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P335 Q341 I342 | P335-G339 WeakPolarHBondContact O-CA 3.5Å; P335-G339 PolarHBondContact O-N 3.3Å; G339-Q341 PolarHBondContact O-N 3.07Å; G339-Q341 VanDerWaalsContact O-N 3.13Å; G339-I342 WeakPolarHBondContact O-CB 3.34Å; G339-I342 PolarHBondContact O-N 3.2Å |
| 340 | P | 93.8 | Very high | 96.9 | Very high | 138 Ų | 138 | 50.3 Ų | 50.3 | 90% | 0.896 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -58.9 | -24.1 | 178.2 | -23.1 | 33.7 | 0 | 0 | 0 | 115 | F338 I342 | F338-P340 VanDerWaalsContact O-N 3.16Å; P340-I342 VanDerWaalsContact C-N 3.3Å; P340-I342 PolarHBondContact O-N 2.62Å |
| 341 | Q | 95.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 49.9 Ų | 49.9 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -90.8 | 16.7 | -177.9 | -61.3 | -175.7 | -3.2 | 0 | 0 | 113.3 | F338 G339 K343 V344 | F338-Q341 HydrophobicContact CB-CB 4.43Å; F338-Q341 HydrophobicContact CD1-CB 4.45Å; F338-Q341 PolarHBondContact O-N 3.24Å; G339-Q341 PolarHBondContact O-N 3.07Å; G339-Q341 VanDerWaalsContact O-N 3.13Å; Q341-K343 PolarHBondContact O-N 2.91Å; Q341-V344 WeakPolarHBondContact O-CB 3.08Å; Q341-V344 PolarHBondContact O-N 3.21Å |
| 342 | I | 97.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.8 | -32.3 | -174.6 | -166 | 178.8 | 0 | 0 | 0 | 114.1 | H279 I280 L334 P335 G339 P340 V344 G345 F346 | H279-I342 HydrophobicContact CB-CD1 3.47Å; H279-I342 VanDerWaalsContact CB-CD1 3.47Å; I280-I342 HydrophobicContact CD1-CG2 4.27Å; I280-I342 HydrophobicContact CG1-CG2 3.84Å; L334-I342 HydrophobicContact CB-CD1 4.47Å; L334-I342 HydrophobicContact CB-CG1 4.22Å; P335-I342 HydrophobicContact CB-CD1 4.1Å; P335-I342 HydrophobicContact CG-CD1 3.73Å; G339-I342 WeakPolarHBondContact O-CB 3.34Å; G339-I342 PolarHBondContact O-N 3.2Å; P340-I342 VanDerWaalsContact C-N 3.3Å; P340-I342 PolarHBondContact O-N 2.62Å; I342-V344 PolarHBondContact O-N 2.76Å; I342-G345 PolarHBondContact O-N 3.09Å; I342-F346 VanDerWaalsContact O-CB 3.23Å; I342-F346 WeakPolarHBondContact O-CB 3.42Å; I342-F346 PolarHBondContact O-N 3.25Å |
| 343 | K | 97.8 | Very high | 97 | Very high | 86 Ų | 86 | 50.5 Ų | 50.5 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.7 | -40.9 | 175.1 | -72.3 | -168.2 | 179.8 | -174 | 0 | 112.1 | I280 D282 F285 Q341 G347 | I280-K343 HydrophobicContact CD1-CG 4.24Å; I280-K343 HydrophobicContact CG1-CG 4.27Å; I280-K343 HydrophobicContact CG2-CD 4.46Å; I280-K343 HydrophobicContact CG2-CG 4.12Å; D282-K343 IonicContact OD2-NZ 3.24Å; D282-K343 PolarHBondContact OD2-NZ 2.85Å; F285-K343 HydrophobicContact CD1-CD 4.24Å; F285-K343 HydrophobicContact CD1-CG 4.22Å; F285-K343 HydrophobicContact CD2-CD 4.17Å; F285-K343 HydrophobicContact CE1-CB 3.96Å; F285-K343 HydrophobicContact CE1-CD 4.27Å; F285-K343 HydrophobicContact CE1-CG 3.85Å; F285-K343 HydrophobicContact CE2-CB 4.05Å; F285-K343 HydrophobicContact CE2-CD 4.19Å; F285-K343 HydrophobicContact CE2-CG 4.36Å; F285-K343 HydrophobicContact CG-CD 4.2Å; F285-K343 HydrophobicContact CZ-CB 3.58Å; F285-K343 HydrophobicContact CZ-CD 4.26Å; F285-K343 HydrophobicContact CZ-CG 3.94Å; F285-K343 WeakPolarHBondContact CZ-O 3.28Å; Q341-K343 PolarHBondContact O-N 2.91Å; K343-G347 PolarHBondContact O-N 3Å; K343-G347 VanDerWaalsContact O-N 3.15Å |
| 344 | V | 96.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.8 | -51.1 | 179 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | Q341 I342 F346 G347 I348 | Q341-V344 WeakPolarHBondContact O-CB 3.08Å; Q341-V344 PolarHBondContact O-N 3.21Å; I342-V344 PolarHBondContact O-N 2.76Å; V344-F346 VanDerWaalsContact C-N 3.34Å; V344-F346 PolarHBondContact O-N 3.13Å; V344-G347 PolarHBondContact O-N 3.34Å; V344-I348 HydrophobicContact CG1-CD1 3.86Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 2.85Å |
| 345 | G | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F338 I342 G347 I348 W349 | F338-G345 VanDerWaalsContact CE2-CA 3.42Å; F338-G345 VanDerWaalsContact CZ-CA 3.43Å; I342-G345 PolarHBondContact O-N 3.09Å; G345-G347 PolarHBondContact O-N 3.06Å; G345-I348 PolarHBondContact O-N 2.91Å; G345-W349 PolarHBondContact O-N 3.48Å |
| 346 | F | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.2 | -173.6 | -96.5 | 0 | 0 | 0 | 112.2 | F272 F275 I280 F285 L286 M289 F331 L334 I342 V344 L350 | F272-F346 HydrophobicContact CD2-CZ 4.33Å; F272-F346 WeakPolarHBondContact O-CZ 2.92Å; F275-F346 HydrophobicContact CD1-CE2 4.1Å; I280-F346 HydrophobicContact CD1-CB 3.98Å; I280-F346 HydrophobicContact CD1-CD1 4.23Å; I280-F346 HydrophobicContact CD1-CD2 4.36Å; I280-F346 HydrophobicContact CD1-CG 3.95Å; F285-F346 HydrophobicContact CE1-CD1 4.23Å; L286-F346 HydrophobicContact CD2-CD1 4.21Å; L286-F346 HydrophobicContact CD2-CE1 3.52Å; L286-F346 HydrophobicContact CD2-CZ 3.76Å; M289-F346 HydrophobicContact CB-CD1 4.29Å; M289-F346 HydrophobicContact CB-CE1 4.06Å; M289-F346 HydrophobicContact CG-CD1 4.08Å; M289-F346 HydrophobicContact CG-CE1 4.28Å; F331-F346 HydrophobicContact CE2-CD2 4.15Å; F331-F346 HydrophobicContact CE2-CE2 4.24Å; F331-F346 HydrophobicContact CZ-CD2 4.13Å; F331-F346 AromaticContact CZ-CE2 3.77Å; F331-F346 HydrophobicContact CZ-CE2 3.77Å; L334-F346 HydrophobicContact CD1-CB 4.35Å; L334-F346 HydrophobicContact CD1-CD2 4.31Å; I342-F346 VanDerWaalsContact O-CB 3.23Å; I342-F346 WeakPolarHBondContact O-CB 3.42Å; I342-F346 PolarHBondContact O-N 3.25Å; V344-F346 VanDerWaalsContact C-N 3.34Å; V344-F346 PolarHBondContact O-N 3.13Å; F346-L350 HydrophobicContact CD1-CD1 3.73Å; F346-L350 HydrophobicContact CE1-CD1 3.17Å; F346-L350 HydrophobicContact CE1-CG 4.2Å; F346-L350 HydrophobicContact CE2-CD1 4.35Å; F346-L350 HydrophobicContact CZ-CD1 3.53Å; F346-L350 HydrophobicContact CZ-CG 4.3Å; F346-L350 WeakPolarHBondContact O-CB 3.41Å; F346-L350 PolarHBondContact O-N 2.77Å |
| 347 | G | 98 | Very high | 97.2 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M289 K343 V344 G345 L350 C351 | M289-G347 VanDerWaalsContact SD-CA 3.53Å; K343-G347 PolarHBondContact O-N 3Å; K343-G347 VanDerWaalsContact O-N 3.15Å; V344-G347 PolarHBondContact O-N 3.34Å; G345-G347 PolarHBondContact O-N 3.06Å; G347-L350 PolarHBondContact O-N 3.43Å; G347-C351 PolarHBondContact O-N 3.21Å; G347-C351 PolarHBondContact O-SG 2.7Å |
| 348 | I | 98.1 | Very high | 97.2 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 179.1 | -67.1 | 169.1 | 0 | 0 | 0 | 110.8 | V344 G345 C351 G352 | V344-I348 HydrophobicContact CG1-CD1 3.86Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 2.85Å; G345-I348 PolarHBondContact O-N 2.91Å; I348-C351 PolarHBondContact O-N 2.85Å; I348-G352 PolarHBondContact O-N 2.96Å |
| 349 | W | 98.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | -179.4 | -99.4 | -115.6 | 0 | 0 | 0 | 111.6 | L327 S330 F331 L334 F338 G345 C351 G352 L353 | L327-W349 HydrophobicContact CD2-CD2 4.28Å; L327-W349 HydrophobicContact CD2-CG 4.36Å; L327-W349 HydrophobicContact CD2-CZ2 4.44Å; L327-W349 PolarHBondContact O-NE1 3.35Å; S330-W349 PolarHBondContact OG-NE1 3.03Å; F331-W349 HydrophobicContact CD2-CB 3.77Å; F331-W349 AromaticContact CD2-CD1 3.8Å; F331-W349 HydrophobicContact CD2-CG 4.09Å; F331-W349 HydrophobicContact CE2-CB 4.05Å; L334-W349 HydrophobicContact CD1-CB 4.21Å; L334-W349 HydrophobicContact CD1-CG 4.32Å; L334-W349 HydrophobicContact CD2-CD2 3.71Å; L334-W349 HydrophobicContact CD2-CE3 3.91Å; L334-W349 HydrophobicContact CD2-CG 4.01Å; L334-W349 HydrophobicContact CD2-CZ2 4.47Å; L334-W349 HydrophobicContact CD2-CZ3 4.38Å; F338-W349 HydrophobicContact CE2-CE3 4.3Å; F338-W349 HydrophobicContact CE2-CH2 4.11Å; F338-W349 AromaticContact CE2-CZ3 3.73Å; F338-W349 HydrophobicContact CE2-CZ3 3.73Å; F338-W349 HydrophobicContact CZ-CH2 4.38Å; F338-W349 AromaticContact CZ-CZ3 3.79Å; F338-W349 HydrophobicContact CZ-CZ3 3.79Å; G345-W349 PolarHBondContact O-N 3.48Å; W349-C351 VanDerWaalsContact C-N 3.34Å; W349-C351 PolarHBondContact O-N 3.08Å; W349-G352 PolarHBondContact O-N 2.94Å; W349-L353 WeakPolarHBondContact O-CB 3.48Å; W349-L353 WeakPolarHBondContact O-CG 3.16Å; W349-L353 PolarHBondContact O-N 3.45Å |
| 350 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 178.3 | -89.8 | 179.6 | 0 | 0 | 0 | 112.6 | F272 M289 A293 F346 G347 G352 L353 Y354 | F272-L350 HydrophobicContact CB-CD2 3.94Å; F272-L350 HydrophobicContact CD2-CD1 3.83Å; F272-L350 HydrophobicContact CD2-CD2 4.1Å; F272-L350 HydrophobicContact CE2-CD1 4.39Å; F272-L350 HydrophobicContact CG-CD2 4.22Å; M289-L350 HydrophobicContact CB-CD1 3.91Å; A293-L350 HydrophobicContact CB-CB 4.26Å; F346-L350 HydrophobicContact CD1-CD1 3.73Å; F346-L350 HydrophobicContact CE1-CD1 3.17Å; F346-L350 HydrophobicContact CE1-CG 4.2Å; F346-L350 HydrophobicContact CE2-CD1 4.35Å; F346-L350 HydrophobicContact CZ-CD1 3.53Å; F346-L350 HydrophobicContact CZ-CG 4.3Å; F346-L350 WeakPolarHBondContact O-CB 3.41Å; F346-L350 PolarHBondContact O-N 2.77Å; G347-L350 PolarHBondContact O-N 3.43Å; L350-G352 VanDerWaalsContact C-N 3.33Å; L350-G352 PolarHBondContact O-N 2.88Å; L350-L353 PolarHBondContact O-N 2.84Å; L350-Y354 HydrophobicContact CD2-CD2 4.04Å; L350-Y354 HydrophobicContact CD2-CE2 3.76Å; L350-Y354 WeakPolarHBondContact O-CB 3.39Å; L350-Y354 WeakPolarHBondContact O-CD2 3.37Å; L350-Y354 PolarHBondContact O-N 2.71Å |
| 351 | C | 98.4 | Very high | 97 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.7 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | V292 F296 G347 I348 W349 L355 | V292-C351 VanDerWaalsContact CG1-SG 3.57Å; F296-C351 HydrophobicContact CD1-CB 4.23Å; F296-C351 HydrophobicContact CD2-CB 3.69Å; F296-C351 HydrophobicContact CE1-CB 4.29Å; F296-C351 HydrophobicContact CE2-CB 3.77Å; F296-C351 VanDerWaalsContact CE2-SG 3.6Å; F296-C351 HydrophobicContact CG-CB 3.94Å; F296-C351 HydrophobicContact CZ-CB 4.07Å; G347-C351 PolarHBondContact O-N 3.21Å; G347-C351 PolarHBondContact O-SG 2.7Å; I348-C351 PolarHBondContact O-N 2.85Å; W349-C351 VanDerWaalsContact C-N 3.34Å; W349-C351 PolarHBondContact O-N 3.08Å; C351-L355 WeakPolarHBondContact O-CB 3.4Å; C351-L355 PolarHBondContact O-N 3.38Å |
| 352 | G | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 21% | 0.206 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I348 W349 L350 Y354 L355 L356 | I348-G352 PolarHBondContact O-N 2.96Å; W349-G352 PolarHBondContact O-N 2.94Å; L350-G352 VanDerWaalsContact C-N 3.33Å; L350-G352 PolarHBondContact O-N 2.88Å; G352-Y354 VanDerWaalsContact C-N 3.35Å; G352-Y354 PolarHBondContact O-N 2.92Å; G352-L355 PolarHBondContact O-N 3.49Å; G352-L356 WeakPolarHBondContact O-CB 3.36Å; G352-L356 WeakPolarHBondContact O-CG 3.25Å; G352-L356 PolarHBondContact O-N 2.95Å |
| 353 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 178.3 | -70.2 | 168.5 | 0 | 0 | 0 | 111.4 | L268 L327 L328 F331 W349 L350 L356 I357 | L268-L353 HydrophobicContact CD1-CB 4.13Å; L268-L353 HydrophobicContact CD1-CD1 4.36Å; L268-L353 HydrophobicContact CD1-CD2 4.25Å; L268-L353 HydrophobicContact CD1-CG 4.48Å; L268-L353 HydrophobicContact CD2-CD1 3.92Å; L327-L353 HydrophobicContact CB-CD2 3.56Å; L327-L353 HydrophobicContact CB-CG 4.16Å; L327-L353 HydrophobicContact CD1-CD2 4.39Å; L327-L353 HydrophobicContact CD1-CG 4.4Å; L328-L353 HydrophobicContact CD2-CD2 4Å; L328-L353 HydrophobicContact CG-CD2 3.85Å; F331-L353 HydrophobicContact CD2-CD1 3.88Å; F331-L353 HydrophobicContact CE2-CD1 4.09Å; F331-L353 HydrophobicContact CG-CD1 4.2Å; W349-L353 WeakPolarHBondContact O-CB 3.48Å; W349-L353 WeakPolarHBondContact O-CG 3.16Å; W349-L353 PolarHBondContact O-N 3.45Å; L350-L353 PolarHBondContact O-N 2.84Å; L353-L356 PolarHBondContact O-N 3.47Å; L353-I357 WeakPolarHBondContact O-CB 3.25Å; L353-I357 WeakPolarHBondContact O-CG2 3.46Å; L353-I357 PolarHBondContact O-N 2.93Å |
| 354 | Y | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 4% | 0.043 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.9 | -26.5 | -179.5 | -84.5 | -104.4 | 0 | 0 | 0 | 113.9 | A293 N297 L350 G352 I357 S358 | A293-Y354 HydrophobicContact CB-CD1 4.25Å; A293-Y354 HydrophobicContact CB-CD2 3.74Å; A293-Y354 HydrophobicContact CB-CE2 4.25Å; A293-Y354 HydrophobicContact CB-CG 3.73Å; A293-Y354 VanDerWaalsContact O-CB 3.28Å; A293-Y354 WeakPolarHBondContact O-CB 3.42Å; N297-Y354 WeakPolarHBondContact CA-O 3.29Å; N297-Y354 HydrophobicContact CB-CD1 4.09Å; N297-Y354 PolarHBondContact ND2-O 3.25Å; L350-Y354 HydrophobicContact CD2-CD2 4.04Å; L350-Y354 HydrophobicContact CD2-CE2 3.76Å; L350-Y354 WeakPolarHBondContact O-CB 3.39Å; L350-Y354 WeakPolarHBondContact O-CD2 3.37Å; L350-Y354 PolarHBondContact O-N 2.71Å; G352-Y354 VanDerWaalsContact C-N 3.35Å; G352-Y354 PolarHBondContact O-N 2.92Å; Y354-I357 WeakPolarHBondContact O-CG2 3.49Å; Y354-S358 WeakPolarHBondContact O-CB 3.29Å; Y354-S358 PolarHBondContact O-N 2.83Å |
| 355 | L | 98 | Very high | 96.2 | Very high | 51 Ų | 51 | 13.7 Ų | 13.7 | 27% | 0.267 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 168.9 | 179 | 62.8 | 0 | 0 | 0 | 110.8 | F296 W304 C351 G352 S358 | F296-L355 HydrophobicContact CB-CB 4.28Å; F296-L355 HydrophobicContact CD1-CB 4.16Å; F296-L355 HydrophobicContact CD1-CD1 4.42Å; F296-L355 HydrophobicContact CD1-CD2 4.39Å; W304-L355 PolarHBondContact NE1-O 3.42Å; C351-L355 WeakPolarHBondContact O-CB 3.4Å; C351-L355 PolarHBondContact O-N 3.38Å; G352-L355 PolarHBondContact O-N 3.49Å; L355-S358 PolarHBondContact O-OG 2.76Å |
| 356 | L | 97.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 13.7 Ų | 13.7 | 8% | 0.084 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.2 | -46.3 | -177.1 | -68.2 | 175 | 0 | 0 | 0 | 112.4 | W304 I320 C323 W324 L327 G352 L353 S358 G359 | W304-L356 HydrophobicContact CZ2-CD2 4.35Å; I320-L356 HydrophobicContact CB-CD2 4.4Å; I320-L356 HydrophobicContact CG1-CD2 4.08Å; I320-L356 HydrophobicContact CG2-CB 4.11Å; I320-L356 HydrophobicContact CG2-CD2 4.39Å; I320-L356 VanDerWaalsContact CG2-O 3.28Å; I320-L356 WeakPolarHBondContact CG2-O 3.27Å; C323-L356 HydrophobicContact CB-CD1 3.69Å; C323-L356 HydrophobicContact CB-CD2 4.13Å; W324-L356 HydrophobicContact CB-CB 4.23Å; W324-L356 HydrophobicContact CB-CD1 3.95Å; W324-L356 HydrophobicContact CG-CB 4.19Å; W324-L356 HydrophobicContact CG-CD1 4.43Å; L327-L356 HydrophobicContact CD1-CD1 3.78Å; G352-L356 WeakPolarHBondContact O-CB 3.36Å; G352-L356 WeakPolarHBondContact O-CG 3.25Å; G352-L356 PolarHBondContact O-N 2.95Å; L353-L356 PolarHBondContact O-N 3.47Å; L356-S358 PolarHBondContact O-N 3.14Å; L356-G359 PolarHBondContact O-N 3.06Å |
| 357 | I | 95.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | 177.4 | -163.8 | 175.9 | 0 | 0 | 0 | 112.3 | L265 N297 W324 L353 Y354 G359 V360 L361 | L265-I357 HydrophobicContact CB-CD1 3.76Å; L265-I357 HydrophobicContact CD1-CD1 3.23Å; L265-I357 HydrophobicContact CD1-CG1 4.22Å; L265-I357 HydrophobicContact CG-CD1 4.04Å; N297-I357 WeakPolarHBondContact ND2-CG2 3.39Å; W324-I357 HydrophobicContact CH2-CB 4.19Å; W324-I357 HydrophobicContact CH2-CD1 3.87Å; W324-I357 HydrophobicContact CH2-CG1 3.66Å; W324-I357 HydrophobicContact CZ2-CB 3.73Å; W324-I357 HydrophobicContact CZ2-CD1 3.61Å; W324-I357 HydrophobicContact CZ2-CG1 3.6Å; L353-I357 WeakPolarHBondContact O-CB 3.25Å; L353-I357 WeakPolarHBondContact O-CG2 3.46Å; L353-I357 PolarHBondContact O-N 2.93Å; Y354-I357 WeakPolarHBondContact O-CG2 3.49Å; I357-G359 PolarHBondContact O-N 3.49Å; I357-V360 PolarHBondContact O-N 3.24Å; I357-L361 HydrophobicContact CG1-CD1 4.29Å; I357-L361 WeakPolarHBondContact O-CG 3.36Å; I357-L361 PolarHBondContact O-N 2.94Å |
| 358 | S | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -34.4 | 177.8 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | N297 G300 R301 W304 Y354 L355 L356 L361 V362 | N297-S358 WeakPolarHBondContact O-CB 3.26Å; G300-S358 VanDerWaalsContact CA-OG 3.29Å; G300-S358 WeakPolarHBondContact CA-OG 3.27Å; R301-S358 PolarHBondContact N-OG 3.18Å; W304-S358 VanDerWaalsContact CD1-OG 3.23Å; W304-S358 PolarHBondContact NE1-OG 3.36Å; Y354-S358 WeakPolarHBondContact O-CB 3.29Å; Y354-S358 PolarHBondContact O-N 2.83Å; L355-S358 PolarHBondContact O-OG 2.76Å; L356-S358 PolarHBondContact O-N 3.14Å; S358-L361 PolarHBondContact O-N 3.37Å; S358-V362 WeakPolarHBondContact O-CG2 3.11Å; S358-V362 PolarHBondContact O-N 2.95Å |
| 359 | G | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -72.7 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L356 I357 L361 V362 F363 | L356-G359 PolarHBondContact O-N 3.06Å; I357-G359 PolarHBondContact O-N 3.49Å; G359-L361 VanDerWaalsContact C-N 3.25Å; G359-L361 PolarHBondContact O-N 3.41Å; G359-V362 PolarHBondContact O-N 3.49Å; G359-F363 WeakPolarHBondContact O-CB 3.29Å; G359-F363 WeakPolarHBondContact O-CD2 3.4Å; G359-F363 VanDerWaalsContact O-CG 3.28Å; G359-F363 WeakPolarHBondContact O-CG 3.43Å; G359-F363 PolarHBondContact O-N 3.35Å |
| 360 | V | 94 | Very high | 94 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.018 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | 173 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | I258 A261 L317 I320 W324 I357 V362 F363 A364 | I258-V360 HydrophobicContact CD1-CG1 4.32Å; A261-V360 HydrophobicContact CB-CG1 3.68Å; L317-V360 HydrophobicContact CD1-CG2 4.16Å; I320-V360 HydrophobicContact CG2-CG2 3.77Å; W324-V360 HydrophobicContact CZ3-CG2 4.44Å; I357-V360 PolarHBondContact O-N 3.24Å; V360-V362 VanDerWaalsContact C-N 3.29Å; V360-V362 PolarHBondContact O-N 3.48Å; V360-F363 PolarHBondContact O-N 2.83Å; V360-A364 PolarHBondContact O-N 3.25Å |
| 361 | L | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 8.5 Ų | 8.5 | 3% | 0.031 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -74.3 | -15.5 | -177.8 | -62.8 | 169.4 | 0 | 0 | 0 | 114.2 | Y28 L265 I357 S358 G359 P365 F388 | Y28-L361 WeakPolarHBondContact OH-CD1 3.29Å; L265-L361 HydrophobicContact CD2-CD2 4.23Å; I357-L361 HydrophobicContact CG1-CD1 4.29Å; I357-L361 WeakPolarHBondContact O-CG 3.36Å; I357-L361 PolarHBondContact O-N 2.94Å; S358-L361 PolarHBondContact O-N 3.37Å; G359-L361 VanDerWaalsContact C-N 3.25Å; G359-L361 PolarHBondContact O-N 3.41Å; L361-P365 WeakPolarHBondContact O-CD 3.16Å; L361-F388 HydrophobicContact CD2-CE2 4.2Å; L361-F388 HydrophobicContact CD2-CZ 3.69Å |
| 362 | V | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -92.4 | -37.3 | 170.7 | 171 | 0 | 0 | 0 | 0 | 111.5 | R301 S358 G359 V360 A364 P365 T366 | R301-V362 HydrophobicContact CB-CG2 3.52Å; R301-V362 HydrophobicContact CG-CG2 3.63Å; S358-V362 WeakPolarHBondContact O-CG2 3.11Å; S358-V362 PolarHBondContact O-N 2.95Å; G359-V362 PolarHBondContact O-N 3.49Å; V360-V362 VanDerWaalsContact C-N 3.29Å; V360-V362 PolarHBondContact O-N 3.48Å; V362-A364 VanDerWaalsContact C-N 3.31Å; V362-A364 PolarHBondContact O-N 3.37Å; V362-P365 WeakPolarHBondContact O-CD 3.33Å; V362-P365 VanDerWaalsContact O-CG 3.28Å; V362-P365 WeakPolarHBondContact O-CG 3.49Å; V362-T366 PolarHBondContact O-N 3.3Å; V362-T366 PolarHBondContact O-OG1 3.03Å |
| 363 | F | 92.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 7.1 Ų | 7.1 | 1% | 0.013 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.3 | -29.4 | 177.8 | -67.2 | -40 | 0 | 0 | 0 | 112.7 | W304 I307 F313 P316 L317 I320 G359 V360 T366 A367 | W304-F363 HydrophobicContact CB-CZ 4.15Å; W304-F363 HydrophobicContact CE3-CE2 4.32Å; W304-F363 HydrophobicContact CE3-CZ 4.11Å; I307-F363 HydrophobicContact CG2-CZ 4.44Å; F313-F363 HydrophobicContact CB-CB 4.07Å; F313-F363 HydrophobicContact CB-CD1 3.42Å; F313-F363 VanDerWaalsContact CB-CD1 3.42Å; F313-F363 HydrophobicContact CB-CE1 4.04Å; F313-F363 HydrophobicContact CB-CG 3.85Å; P316-F363 HydrophobicContact CB-CE2 3.67Å; P316-F363 HydrophobicContact CB-CZ 3.48Å; P316-F363 VanDerWaalsContact CB-CZ 3.48Å; P316-F363 HydrophobicContact CG-CZ 4.17Å; L317-F363 HydrophobicContact CB-CD2 4.06Å; L317-F363 HydrophobicContact CD1-CD2 4.22Å; I320-F363 HydrophobicContact CD1-CD2 4.18Å; I320-F363 HydrophobicContact CD1-CE2 3.61Å; G359-F363 WeakPolarHBondContact O-CB 3.29Å; G359-F363 WeakPolarHBondContact O-CD2 3.4Å; G359-F363 VanDerWaalsContact O-CG 3.28Å; G359-F363 WeakPolarHBondContact O-CG 3.43Å; G359-F363 PolarHBondContact O-N 3.35Å; V360-F363 PolarHBondContact O-N 2.83Å; F363-T366 PolarHBondContact O-N 3.45Å; F363-A367 WeakPolarHBondContact O-CA 3.41Å; F363-A367 WeakPolarHBondContact O-CB 3.04Å; F363-A367 PolarHBondContact O-N 2.98Å |
| 364 | A | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 2% | 0.017 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.9 | -55.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | I258 V360 V362 T368 Y381 | I258-A364 HydrophobicContact CD1-CB 3.53Å; I258-A364 HydrophobicContact CG1-CB 4.24Å; V360-A364 PolarHBondContact O-N 3.25Å; V362-A364 VanDerWaalsContact C-N 3.31Å; V362-A364 PolarHBondContact O-N 3.37Å; A364-T368 WeakPolarHBondContact O-CB 3.49Å; A364-T368 PolarHBondContact O-N 3.11Å; A364-T368 PolarHBondContact O-OG1 3.5Å; A364-Y381 HydrophobicContact CB-CE2 3.96Å |
| 365 | P | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.8 | -41.3 | 175.6 | 23.4 | -31.4 | 0 | 0 | 0 | 112.5 | V144 L361 V362 A367 T368 E369 M377 Y381 | V144-P365 HydrophobicContact CG1-CB 4.35Å; V144-P365 HydrophobicContact CG1-CG 3.81Å; L361-P365 WeakPolarHBondContact O-CD 3.16Å; V362-P365 WeakPolarHBondContact O-CD 3.33Å; V362-P365 VanDerWaalsContact O-CG 3.28Å; V362-P365 WeakPolarHBondContact O-CG 3.49Å; P365-A367 VanDerWaalsContact C-N 3.34Å; P365-A367 PolarHBondContact O-N 3.37Å; P365-T368 PolarHBondContact O-N 3.1Å; P365-E369 PolarHBondContact O-N 3.11Å; P365-M377 HydrophobicContact CB-CE 3.65Å; P365-M377 WeakPolarHBondContact O-CE 3.2Å; P365-Y381 HydrophobicContact CB-CD1 4.15Å; P365-Y381 HydrophobicContact CB-CD2 4.05Å; P365-Y381 HydrophobicContact CB-CE1 3.95Å; P365-Y381 HydrophobicContact CB-CE2 3.87Å; P365-Y381 HydrophobicContact CB-CG 4.2Å; P365-Y381 HydrophobicContact CG-CE1 4.39Å; P365-Y381 HydrophobicContact CG-CE2 4.23Å |
| 366 | T | 88.9 | Confident | 91.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.7 | -36 | -178.8 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | S308 V362 F363 T370 | S308-T366 WeakPolarHBondContact OG-CG2 3.02Å; V362-T366 PolarHBondContact O-N 3.3Å; V362-T366 PolarHBondContact O-OG1 3.03Å; F363-T366 PolarHBondContact O-N 3.45Å; T366-T370 VanDerWaalsContact O-CB 3.3Å; T366-T370 WeakPolarHBondContact O-CB 3.39Å; T366-T370 PolarHBondContact O-N 2.9Å; T366-T370 PolarHBondContact O-OG1 2.83Å |
| 367 | A | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.1 | -46.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L254 F313 F363 P365 E369 T370 L371 | L254-A367 HydrophobicContact CD1-CB 4.08Å; L254-A367 HydrophobicContact CD2-CB 3.98Å; F313-A367 HydrophobicContact CD1-CB 4.01Å; F313-A367 HydrophobicContact CD2-CB 3.78Å; F313-A367 HydrophobicContact CE1-CB 3.92Å; F313-A367 HydrophobicContact CE2-CB 3.67Å; F313-A367 HydrophobicContact CG-CB 3.95Å; F313-A367 HydrophobicContact CZ-CB 3.75Å; F363-A367 WeakPolarHBondContact O-CA 3.41Å; F363-A367 WeakPolarHBondContact O-CB 3.04Å; F363-A367 PolarHBondContact O-N 2.98Å; P365-A367 VanDerWaalsContact C-N 3.34Å; P365-A367 PolarHBondContact O-N 3.37Å; A367-E369 VanDerWaalsContact C-N 3.29Å; A367-E369 PolarHBondContact O-N 2.86Å; A367-T370 PolarHBondContact O-N 2.93Å; A367-L371 HydrophobicContact CB-CD1 4.41Å; A367-L371 VanDerWaalsContact O-CB 3.3Å; A367-L371 WeakPolarHBondContact O-CB 3.46Å; A367-L371 WeakPolarHBondContact O-CD1 3.12Å; A367-L371 WeakPolarHBondContact O-CG 3.42Å; A367-L371 PolarHBondContact O-N 3.17Å |
| 368 | T | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.3 | -47.8 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111 | A364 P365 F372 M377 N380 V384 | A364-T368 WeakPolarHBondContact O-CB 3.49Å; A364-T368 PolarHBondContact O-N 3.11Å; A364-T368 PolarHBondContact O-OG1 3.5Å; P365-T368 PolarHBondContact O-N 3.1Å; T368-F372 HydrophobicContact CG2-CD2 3.76Å; T368-F372 HydrophobicContact CG2-CE2 4.39Å; T368-F372 WeakPolarHBondContact O-CB 3.36Å; T368-F372 WeakPolarHBondContact O-CD2 3.3Å; T368-F372 PolarHBondContact O-N 3.23Å; T368-M377 HydrophobicContact CG2-CE 4.33Å; T368-M377 HydrophobicContact CG2-SD 3.88Å; T368-N380 HydrophobicContact CG2-CB 4.1Å; T368-V384 HydrophobicContact CG2-CG2 4.26Å |
| 369 | E | 86.7 | Confident | 90.1 | Very high | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 179.2 | -167.8 | -165.9 | 168 | 0 | 0 | 111.9 | R140 P365 A367 L371 G373 M377 | R140-E369 WeakPolarHBondContact CD-OE1 3.44Å; R140-E369 IonicContact CZ-OE1 3.5Å; R140-E369 IonicContact NE-OE1 3.85Å; R140-E369 IonicContact NH1-OE1 2.67Å; R140-E369 PolarHBondContact NH1-OE1 3.23Å; P365-E369 PolarHBondContact O-N 3.11Å; A367-E369 VanDerWaalsContact C-N 3.29Å; A367-E369 PolarHBondContact O-N 2.86Å; E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 3.13Å; E369-G373 WeakPolarHBondContact O-CA 3.34Å; E369-G373 PolarHBondContact O-N 3.25Å; E369-M377 HydrophobicContact CB-CE 4.08Å; E369-M377 HydrophobicContact CB-SD 3.78Å; E369-M377 HydrophobicContact CG-SD 4.33Å |
| 370 | T | 86.6 | Confident | 90 | Very high | 22 Ų | 22 | 14 Ų | 14 | 14% | 0.135 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | -177.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | F313 T366 A367 K433 | F313-T370 HydrophobicContact CE1-CG2 4.4Å; T366-T370 VanDerWaalsContact O-CB 3.3Å; T366-T370 WeakPolarHBondContact O-CB 3.39Å; T366-T370 PolarHBondContact O-N 2.9Å; T366-T370 PolarHBondContact O-OG1 2.83Å; A367-T370 PolarHBondContact O-N 2.93Å; T370-K433 HydrophobicContact CG2-CB 4.46Å; T370-K433 HydrophobicContact CG2-CD 3.72Å; T370-K433 HydrophobicContact CG2-CG 3.8Å; T370-K433 PolarHBondContact OG1-NZ 3.11Å; T370-K433 VanDerWaalsContact OG1-NZ 3.11Å |
| 371 | L | 90.4 | Very high | 90 | Very high | 12 Ų | 12 | 14 Ų | 14 | 6% | 0.063 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -85.9 | -37.6 | -177.5 | -64.8 | 169.5 | 0 | 0 | 0 | 112.6 | E250 L254 F313 A367 E369 I429 H430 | E250-L371 HydrophobicContact CB-CD1 4.32Å; E250-L371 HydrophobicContact CG-CD2 4.42Å; L254-L371 HydrophobicContact CD2-CD1 4.36Å; F313-L371 HydrophobicContact CZ-CD1 4.34Å; F313-L371 HydrophobicContact CZ-CG 4.5Å; A367-L371 HydrophobicContact CB-CD1 4.41Å; A367-L371 VanDerWaalsContact O-CB 3.3Å; A367-L371 WeakPolarHBondContact O-CB 3.46Å; A367-L371 WeakPolarHBondContact O-CD1 3.12Å; A367-L371 WeakPolarHBondContact O-CG 3.42Å; A367-L371 PolarHBondContact O-N 3.17Å; E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 3.13Å; L371-I429 HydrophobicContact CD1-CG2 4.06Å; L371-I429 HydrophobicContact CD2-CG2 4.17Å; L371-H430 VanDerWaalsContact CD2-O 3.3Å; L371-H430 WeakPolarHBondContact CD2-O 3.26Å |
| 372 | F | 91.6 | Very high | 90 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -122.1 | -10.4 | -165.2 | -45.3 | -55.8 | 0 | 0 | 0 | 114.8 | L240 L245 Q248 E250 F251 L254 T368 V384 | L240-F372 HydrophobicContact CD1-CB 4.49Å; L240-F372 HydrophobicContact CD1-CD1 4.05Å; L240-F372 PolarHBondContact N-O 3.39Å; L245-F372 HydrophobicContact CD1-CB 3.59Å; L245-F372 HydrophobicContact CD1-CD1 3.59Å; L245-F372 HydrophobicContact CD1-CD2 3.27Å; L245-F372 HydrophobicContact CD1-CE1 4.04Å; L245-F372 HydrophobicContact CD1-CE2 3.77Å; L245-F372 HydrophobicContact CD1-CG 3.18Å; L245-F372 HydrophobicContact CD1-CZ 4.13Å; Q248-F372 HydrophobicContact CB-CE1 4.19Å; Q248-F372 HydrophobicContact CG-CE1 4.46Å; E250-F372 HydrophobicContact CB-CE1 4.13Å; E250-F372 HydrophobicContact CB-CZ 4.24Å; F251-F372 HydrophobicContact CB-CE1 4.3Å; F251-F372 HydrophobicContact CB-CZ 3.93Å; L254-F372 HydrophobicContact CD2-CE2 4.26Å; T368-F372 HydrophobicContact CG2-CD2 3.76Å; T368-F372 HydrophobicContact CG2-CE2 4.39Å; T368-F372 WeakPolarHBondContact O-CB 3.36Å; T368-F372 WeakPolarHBondContact O-CD2 3.3Å; T368-F372 PolarHBondContact O-N 3.23Å; F372-V384 HydrophobicContact CE2-CG2 4.3Å |
| 373 | G | 87.8 | Confident | 90.1 | Very high | 8 Ų | 8 | 15.3 Ų | 15.3 | 8% | 0.082 | 9% | 0.088 | C | C | . | . | trans | 103.3 | 168.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V238 E369 | V238-G373 WeakPolarHBondContact O-CA 3.46Å; V238-G373 PolarHBondContact O-N 3.13Å; E369-G373 WeakPolarHBondContact O-CA 3.34Å; E369-G373 PolarHBondContact O-N 3.25Å | ||
| 374 | S | 84.4 | Confident | 90.3 | Very high | 48 Ų | 48 | 15.2 Ų | 15.2 | 34% | 0.336 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -95.9 | -23.3 | -172.6 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | N239 M377 | N239-S374 PolarHBondContact OD1-N 3.48Å; N239-S374 VanDerWaalsContact OD1-N 3.15Å; S374-M377 VanDerWaalsContact O-CB 3.26Å; S374-M377 WeakPolarHBondContact O-CB 3.17Å; S374-M377 PolarHBondContact O-N 3.31Å |
| 375 | I | 86.1 | Confident | 90.4 | Very high | 119 Ų | 119 | 15.3 Ų | 15.3 | 61% | 0.61 | 9% | 0.087 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -46.7 | -174.1 | -67.8 | 174.7 | 0 | 0 | 0 | 111.9 | N239 M377 | N239-I375 HydrophobicContact CB-CB 4.31Å; N239-I375 HydrophobicContact CB-CD1 3.87Å; N239-I375 HydrophobicContact CB-CG1 4.28Å; N239-I375 VanDerWaalsContact CG-CD1 3.49Å; N239-I375 VanDerWaalsContact OD1-CG1 3.28Å; N239-I375 WeakPolarHBondContact OD1-CG1 3.23Å; N239-I375 PolarHBondContact OD1-N 3.03Å; N239-I375 VanDerWaalsContact OD1-N 3.07Å; I375-M377 VanDerWaalsContact C-N 3.34Å |
| 376 | N | 89.1 | Confident | 90.6 | Very high | 24 Ų | 24 | 16.6 Ų | 16.6 | 13% | 0.128 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 19.1 | 180 | -67.3 | -56.6 | 0 | 0 | 0 | 112.8 | R76 L240 A378 V379 N380 | R76-N376 PolarHBondContact NH1-OD1 3.22Å; L240-N376 PolarHBondContact O-ND2 3.13Å; N376-A378 VanDerWaalsContact C-N 3.35Å; N376-A378 PolarHBondContact O-N 3.31Å; N376-V379 PolarHBondContact O-N 2.9Å; N376-V379 VanDerWaalsContact O-N 3.1Å; N376-N380 WeakPolarHBondContact O-CB 3.32Å; N376-N380 PolarHBondContact O-N 3.02Å |
| 377 | M | 86.2 | Confident | 91 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 5% | 0.054 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.1 | -45.9 | -168.6 | 179.7 | 53.9 | -172.1 | 0 | 0 | 113.2 | P365 T368 E369 S374 I375 V379 N380 Y381 | P365-M377 HydrophobicContact CB-CE 3.65Å; P365-M377 WeakPolarHBondContact O-CE 3.2Å; T368-M377 HydrophobicContact CG2-CE 4.33Å; T368-M377 HydrophobicContact CG2-SD 3.88Å; E369-M377 HydrophobicContact CB-CE 4.08Å; E369-M377 HydrophobicContact CB-SD 3.78Å; E369-M377 HydrophobicContact CG-SD 4.33Å; S374-M377 VanDerWaalsContact O-CB 3.26Å; S374-M377 WeakPolarHBondContact O-CB 3.17Å; S374-M377 PolarHBondContact O-N 3.31Å; I375-M377 VanDerWaalsContact C-N 3.34Å; M377-V379 VanDerWaalsContact C-N 3.29Å; M377-V379 PolarHBondContact O-N 2.91Å; M377-N380 PolarHBondContact O-N 3.33Å; M377-Y381 HydrophobicContact CE-CG 4.09Å; M377-Y381 WeakPolarHBondContact O-CB 3.15Å; M377-Y381 PolarHBondContact O-N 3.2Å |
| 378 | A | 88.7 | Confident | 91.1 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.1 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A130 N376 G382 | A130-A378 HydrophobicContact CB-CB 4.08Å; N376-A378 VanDerWaalsContact C-N 3.35Å; N376-A378 PolarHBondContact O-N 3.31Å; A378-G382 PolarHBondContact O-N 2.88Å |
| 379 | V | 93.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -81 | -45.3 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | P69 P242 N376 M377 Y381 G382 L383 | P69-V379 HydrophobicContact CB-CG1 4.28Å; P242-V379 HydrophobicContact CB-CG1 3.97Å; P242-V379 HydrophobicContact CG-CB 4.1Å; P242-V379 HydrophobicContact CG-CG1 3.53Å; N376-V379 PolarHBondContact O-N 2.9Å; N376-V379 VanDerWaalsContact O-N 3.1Å; M377-V379 VanDerWaalsContact C-N 3.29Å; M377-V379 PolarHBondContact O-N 2.91Å; V379-Y381 VanDerWaalsContact C-N 3.31Å; V379-Y381 PolarHBondContact O-N 2.82Å; V379-G382 PolarHBondContact O-N 2.97Å; V379-L383 WeakPolarHBondContact O-CG 3.33Å; V379-L383 PolarHBondContact O-N 3.45Å |
| 380 | N | 92.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | -179.8 | -69.7 | -2.3 | 0 | 0 | 0 | 111.3 | L240 P242 L245 T368 N376 M377 L383 V384 | L240-N380 PolarHBondContact O-ND2 2.76Å; L240-N380 VanDerWaalsContact O-ND2 3.08Å; P242-N380 WeakPolarHBondContact CA-OD1 3.46Å; L245-N380 HydrophobicContact CD1-CB 4.1Å; L245-N380 HydrophobicContact CD2-CB 4.28Å; T368-N380 HydrophobicContact CG2-CB 4.1Å; N376-N380 WeakPolarHBondContact O-CB 3.32Å; N376-N380 PolarHBondContact O-N 3.02Å; M377-N380 PolarHBondContact O-N 3.33Å; N380-L383 PolarHBondContact O-N 3.47Å; N380-V384 PolarHBondContact O-N 3.45Å; N380-V384 VanDerWaalsContact O-N 3.1Å |
| 381 | Y | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.8 | 178.1 | -135.6 | 0 | 0 | 0 | 111.6 | M68 Y125 I129 A364 P365 M377 V379 L383 V384 F385 | M68-Y381 HydrophobicContact CE-CD1 3.39Å; M68-Y381 HydrophobicContact CE-CE1 3.36Å; M68-Y381 HydrophobicContact CE-CG 4.08Å; Y125-Y381 HydrophobicContact CD1-CE1 4.39Å; Y125-Y381 AromaticContact CE1-CE1 3.82Å; Y125-Y381 HydrophobicContact CE1-CE1 3.82Å; I129-Y381 HydrophobicContact CD1-CE1 4.39Å; A364-Y381 HydrophobicContact CB-CE2 3.96Å; P365-Y381 HydrophobicContact CB-CD1 4.15Å; P365-Y381 HydrophobicContact CB-CD2 4.05Å; P365-Y381 HydrophobicContact CB-CE1 3.95Å; P365-Y381 HydrophobicContact CB-CE2 3.87Å; P365-Y381 HydrophobicContact CB-CG 4.2Å; P365-Y381 HydrophobicContact CG-CE1 4.39Å; P365-Y381 HydrophobicContact CG-CE2 4.23Å; M377-Y381 HydrophobicContact CE-CG 4.09Å; M377-Y381 WeakPolarHBondContact O-CB 3.15Å; M377-Y381 PolarHBondContact O-N 3.2Å; V379-Y381 VanDerWaalsContact C-N 3.31Å; V379-Y381 PolarHBondContact O-N 2.82Å; Y381-L383 VanDerWaalsContact C-N 3.26Å; Y381-L383 PolarHBondContact O-N 2.98Å; Y381-V384 PolarHBondContact O-N 3.36Å; Y381-V384 VanDerWaalsContact O-N 3.14Å; Y381-F385 HydrophobicContact CE1-CD2 4.49Å; Y381-F385 HydrophobicContact CE2-CB 4.45Å; Y381-F385 AromaticContact CE2-CD2 3.92Å; Y381-F385 HydrophobicContact CE2-CD2 3.92Å; Y381-F385 AromaticContact CZ-CD2 3.67Å; Y381-F385 VanDerWaalsContact O-CB 3.3Å; Y381-F385 WeakPolarHBondContact O-CB 3.39Å; Y381-F385 PolarHBondContact O-N 3.3Å; Y381-F385 WeakPolarHBondContact OH-CD2 3.16Å |
| 382 | G | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.6 | -39.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A378 V379 F385 N386 | A378-G382 PolarHBondContact O-N 2.88Å; V379-G382 PolarHBondContact O-N 2.97Å; G382-F385 PolarHBondContact O-N 3.35Å; G382-N386 PolarHBondContact O-N 3.16Å |
| 383 | L | 95.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 18% | 0.183 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 175.9 | -69.4 | 175.9 | 0 | 0 | 0 | 113.4 | P242 L245 F251 V379 N380 Y381 | P242-L383 HydrophobicContact CB-CD1 3.86Å; L245-L383 HydrophobicContact CD2-CB 3.86Å; L245-L383 HydrophobicContact CD2-CD1 3.66Å; L245-L383 HydrophobicContact CD2-CG 4.42Å; F251-L383 HydrophobicContact CE2-CB 4.14Å; V379-L383 WeakPolarHBondContact O-CG 3.33Å; V379-L383 PolarHBondContact O-N 3.45Å; N380-L383 PolarHBondContact O-N 3.47Å; Y381-L383 VanDerWaalsContact C-N 3.26Å; Y381-L383 PolarHBondContact O-N 2.98Å |
| 384 | V | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 171.8 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | F251 L254 I258 T368 F372 N380 Y381 N386 A387 | F251-V384 HydrophobicContact CD2-CG2 3.82Å; F251-V384 HydrophobicContact CE2-CG2 3.84Å; L254-V384 HydrophobicContact CD2-CG1 3.81Å; L254-V384 HydrophobicContact CD2-CG2 4.17Å; L254-V384 HydrophobicContact CG-CG1 3.81Å; I258-V384 HydrophobicContact CG1-CG1 4.03Å; T368-V384 HydrophobicContact CG2-CG2 4.26Å; F372-V384 HydrophobicContact CE2-CG2 4.3Å; N380-V384 PolarHBondContact O-N 3.45Å; N380-V384 VanDerWaalsContact O-N 3.1Å; Y381-V384 PolarHBondContact O-N 3.36Å; Y381-V384 VanDerWaalsContact O-N 3.14Å; V384-N386 PolarHBondContact O-N 2.92Å; V384-A387 WeakPolarHBondContact O-CB 3.43Å; V384-A387 PolarHBondContact O-N 2.85Å |
| 385 | F | 95 | Very high | 93.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.4 | -24 | -178.3 | -157.6 | -86.7 | 0 | 0 | 0 | 113 | E64 A65 M68 Y381 G382 A387 F388 | E64-F385 HydrophobicContact CB-CE1 4.5Å; E64-F385 VanDerWaalsContact CD-CE1 3.41Å; E64-F385 HydrophobicContact CG-CE1 3.95Å; E64-F385 WeakPolarHBondContact OE1-CZ 3.26Å; E64-F385 WeakPolarHBondContact OE2-CE1 3.36Å; A65-F385 HydrophobicContact CB-CD1 3.63Å; A65-F385 HydrophobicContact CB-CE1 4.29Å; M68-F385 HydrophobicContact CE-CB 3.83Å; M68-F385 HydrophobicContact CE-CD1 4.39Å; M68-F385 HydrophobicContact CE-CD2 4.15Å; M68-F385 HydrophobicContact CE-CG 3.88Å; M68-F385 HydrophobicContact SD-CB 3.93Å; M68-F385 HydrophobicContact SD-CD1 3.49Å; M68-F385 WeakPolarHBondContact SD-CD1 3.43Å; M68-F385 HydrophobicContact SD-CD2 4.17Å; M68-F385 HydrophobicContact SD-CE1 3.97Å; M68-F385 HydrophobicContact SD-CG 3.6Å; M68-F385 VanDerWaalsContact SD-CG 3.6Å; M68-F385 HydrophobicContact SD-CZ 4.47Å; Y381-F385 HydrophobicContact CE1-CD2 4.49Å; Y381-F385 HydrophobicContact CE2-CB 4.45Å; Y381-F385 AromaticContact CE2-CD2 3.92Å; Y381-F385 HydrophobicContact CE2-CD2 3.92Å; Y381-F385 AromaticContact CZ-CD2 3.67Å; Y381-F385 VanDerWaalsContact O-CB 3.3Å; Y381-F385 WeakPolarHBondContact O-CB 3.39Å; Y381-F385 PolarHBondContact O-N 3.3Å; Y381-F385 WeakPolarHBondContact OH-CD2 3.16Å; G382-F385 PolarHBondContact O-N 3.35Å; F385-A387 PolarHBondContact O-N 3.01Å; F385-F388 HydrophobicContact CD1-CB 4.49Å; F385-F388 AromaticContact CD1-CD2 3.71Å; F385-F388 HydrophobicContact CD1-CD2 3.71Å; F385-F388 HydrophobicContact CD1-CE2 4.48Å; F385-F388 AromaticContact CD2-CD2 3.67Å; F385-F388 HydrophobicContact CD2-CD2 3.67Å; F385-F388 AromaticContact CD2-CE2 3.65Å; F385-F388 HydrophobicContact CD2-CE2 3.65Å; F385-F388 HydrophobicContact CE1-CB 4.34Å; F385-F388 AromaticContact CE1-CD2 3.6Å; F385-F388 HydrophobicContact CE1-CD2 3.6Å; F385-F388 HydrophobicContact CE1-CE2 4.28Å; F385-F388 HydrophobicContact CE1-CG 4.26Å; F385-F388 AromaticContact CE2-CD2 3.58Å; F385-F388 HydrophobicContact CE2-CD2 3.58Å; F385-F388 AromaticContact CE2-CE2 3.4Å; F385-F388 HydrophobicContact CE2-CE2 3.4Å; F385-F388 HydrophobicContact CE2-CZ 4.48Å; F385-F388 AromaticContact CG-CD2 3.75Å; F385-F388 HydrophobicContact CG-CD2 3.75Å; F385-F388 HydrophobicContact CG-CE2 4.21Å; F385-F388 AromaticContact CZ-CD2 3.55Å; F385-F388 HydrophobicContact CZ-CD2 3.55Å; F385-F388 AromaticContact CZ-CE2 3.75Å; F385-F388 HydrophobicContact CZ-CE2 3.75Å; F385-F388 HydrophobicContact CZ-CG 4.39Å; F385-F388 WeakPolarHBondContact O-CB 3.34Å; F385-F388 WeakPolarHBondContact O-CD2 3.27Å; F385-F388 PolarHBondContact O-N 3Å |
| 386 | N | 94.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 19.3 Ų | 19.3 | 15% | 0.15 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -19.8 | 170.5 | -81.2 | -20.4 | 0 | 0 | 0 | 114.4 | A65 L66 G382 V384 F388 V389 | A65-N386 WeakPolarHBondContact CB-OD1 3.1Å; A65-N386 PolarHBondContact O-OD1 3.35Å; L66-N386 PolarHBondContact N-OD1 2.98Å; G382-N386 PolarHBondContact O-N 3.16Å; V384-N386 PolarHBondContact O-N 2.92Å; N386-F388 PolarHBondContact O-N 3.38Å; N386-V389 VanDerWaalsContact O-CB 3.28Å; N386-V389 WeakPolarHBondContact O-CB 3.42Å; N386-V389 VanDerWaalsContact O-CG2 3.28Å; N386-V389 WeakPolarHBondContact O-CG2 3.47Å; N386-V389 PolarHBondContact O-N 3.49Å; N386-V389 VanDerWaalsContact O-N 3.16Å |
| 387 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57 | -32 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W255 I258 F259 V384 F385 V389 F390 G391 | W255-A387 HydrophobicContact CD2-CB 3.72Å; W255-A387 HydrophobicContact CE3-CB 4.35Å; W255-A387 HydrophobicContact CG-CB 3.86Å; W255-A387 HydrophobicContact CZ2-CB 4.16Å; W255-A387 WeakPolarHBondContact O-CB 3.37Å; I258-A387 HydrophobicContact CB-CB 3.9Å; I258-A387 HydrophobicContact CG2-CB 3.85Å; F259-A387 HydrophobicContact CB-CB 4.04Å; V384-A387 WeakPolarHBondContact O-CB 3.43Å; V384-A387 PolarHBondContact O-N 2.85Å; F385-A387 PolarHBondContact O-N 3.01Å; A387-V389 VanDerWaalsContact C-N 3.27Å; A387-V389 PolarHBondContact O-N 3.06Å; A387-F390 PolarHBondContact O-N 3.24Å; A387-G391 PolarHBondContact O-N 2.89Å |
| 388 | F | 93.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -28.7 | 177.1 | -78.6 | -69.5 | 0 | 0 | 0 | 113.3 | I258 L265 L361 F385 N386 F390 G391 G392 | I258-F388 HydrophobicContact CG2-CD2 3.53Å; I258-F388 HydrophobicContact CG2-CE1 4.27Å; I258-F388 HydrophobicContact CG2-CE2 3.27Å; I258-F388 HydrophobicContact CG2-CG 4.16Å; I258-F388 HydrophobicContact CG2-CZ 3.67Å; L265-F388 HydrophobicContact CB-CE1 4.37Å; L265-F388 HydrophobicContact CD2-CD1 3.76Å; L265-F388 HydrophobicContact CD2-CE1 3.24Å; L265-F388 HydrophobicContact CD2-CZ 3.85Å; L265-F388 HydrophobicContact CG-CE1 4.41Å; L361-F388 HydrophobicContact CD2-CE2 4.2Å; L361-F388 HydrophobicContact CD2-CZ 3.69Å; F385-F388 HydrophobicContact CD1-CB 4.49Å; F385-F388 AromaticContact CD1-CD2 3.71Å; F385-F388 HydrophobicContact CD1-CD2 3.71Å; F385-F388 HydrophobicContact CD1-CE2 4.48Å; F385-F388 AromaticContact CD2-CD2 3.67Å; F385-F388 HydrophobicContact CD2-CD2 3.67Å; F385-F388 AromaticContact CD2-CE2 3.65Å; F385-F388 HydrophobicContact CD2-CE2 3.65Å; F385-F388 HydrophobicContact CE1-CB 4.34Å; F385-F388 AromaticContact CE1-CD2 3.6Å; F385-F388 HydrophobicContact CE1-CD2 3.6Å; F385-F388 HydrophobicContact CE1-CE2 4.28Å; F385-F388 HydrophobicContact CE1-CG 4.26Å; F385-F388 AromaticContact CE2-CD2 3.58Å; F385-F388 HydrophobicContact CE2-CD2 3.58Å; F385-F388 AromaticContact CE2-CE2 3.4Å; F385-F388 HydrophobicContact CE2-CE2 3.4Å; F385-F388 HydrophobicContact CE2-CZ 4.48Å; F385-F388 AromaticContact CG-CD2 3.75Å; F385-F388 HydrophobicContact CG-CD2 3.75Å; F385-F388 HydrophobicContact CG-CE2 4.21Å; F385-F388 AromaticContact CZ-CD2 3.55Å; F385-F388 HydrophobicContact CZ-CD2 3.55Å; F385-F388 AromaticContact CZ-CE2 3.75Å; F385-F388 HydrophobicContact CZ-CE2 3.75Å; F385-F388 HydrophobicContact CZ-CG 4.39Å; F385-F388 WeakPolarHBondContact O-CB 3.34Å; F385-F388 WeakPolarHBondContact O-CD2 3.27Å; F385-F388 PolarHBondContact O-N 3Å; N386-F388 PolarHBondContact O-N 3.38Å; F388-F390 VanDerWaalsContact C-N 3.3Å; F388-F390 PolarHBondContact O-N 3.43Å; F388-G391 PolarHBondContact O-N 2.87Å; F388-G392 PolarHBondContact O-N 2.94Å |
| 389 | V | 94.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 11% | 0.109 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.7 | -53.9 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | G62 A65 L66 N386 A387 L393 | G62-V389 WeakPolarHBondContact O-CG2 3.22Å; A65-V389 HydrophobicContact CB-CG2 3.7Å; L66-V389 HydrophobicContact CG-CG2 4.3Å; N386-V389 VanDerWaalsContact O-CB 3.28Å; N386-V389 WeakPolarHBondContact O-CB 3.42Å; N386-V389 VanDerWaalsContact O-CG2 3.28Å; N386-V389 WeakPolarHBondContact O-CG2 3.47Å; N386-V389 PolarHBondContact O-N 3.49Å; N386-V389 VanDerWaalsContact O-N 3.16Å; A387-V389 VanDerWaalsContact C-N 3.27Å; A387-V389 PolarHBondContact O-N 3.06Å; V389-L393 HydrophobicContact CG1-CD1 3.85Å; V389-L393 VanDerWaalsContact O-CB 3.28Å; V389-L393 WeakPolarHBondContact O-CB 3.27Å; V389-L393 WeakPolarHBondContact O-CD1 3.36Å; V389-L393 WeakPolarHBondContact O-CG 3.27Å; V389-L393 PolarHBondContact O-N 2.84Å; V389-L393 VanDerWaalsContact O-N 3.15Å |
| 390 | F | 96.3 | Very high | 95.2 | Very high | 114 Ų | 114 | 24.9 Ų | 24.9 | 50% | 0.5 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -73.9 | -39.9 | -175.2 | -61.2 | -82.3 | 0 | 0 | 0 | 111.3 | W255 F259 A387 F388 F394 | W255-F390 HydrophobicContact CH2-CB 4.33Å; W255-F390 AromaticContact CH2-CD2 3.81Å; W255-F390 HydrophobicContact CH2-CD2 3.81Å; W255-F390 HydrophobicContact CH2-CE2 4.42Å; W255-F390 HydrophobicContact CH2-CG 4.2Å; W255-F390 AromaticContact CZ2-CD2 3.46Å; W255-F390 HydrophobicContact CZ2-CD2 3.46Å; W255-F390 VanDerWaalsContact CZ2-CD2 3.46Å; W255-F390 AromaticContact CZ2-CE2 3.84Å; W255-F390 HydrophobicContact CZ2-CE2 3.84Å; W255-F390 HydrophobicContact CZ2-CG 4.3Å; F259-F390 HydrophobicContact CD2-CB 3.7Å; F259-F390 HydrophobicContact CE2-CB 3.77Å; A387-F390 PolarHBondContact O-N 3.24Å; F388-F390 VanDerWaalsContact C-N 3.3Å; F388-F390 PolarHBondContact O-N 3.43Å; F390-F394 WeakPolarHBondContact O-CB 3.34Å; F390-F394 PolarHBondContact O-N 2.57Å |
| 391 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F259 I263 A387 F388 V395 | F259-G391 VanDerWaalsContact CD2-N 3.34Å; I263-G391 VanDerWaalsContact CG1-O 3.32Å; I263-G391 WeakPolarHBondContact CG1-O 3.39Å; A387-G391 PolarHBondContact O-N 2.89Å; F388-G391 PolarHBondContact O-N 2.87Å; G391-V395 PolarHBondContact O-N 3.37Å |
| 392 | G | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S58 T266 F388 F394 V395 S396 | S58-G392 PolarHBondContact OG-O 2.69Å; T266-G392 WeakPolarHBondContact OG1-CA 3.28Å; F388-G392 PolarHBondContact O-N 2.94Å; G392-F394 VanDerWaalsContact C-N 3.32Å; G392-F394 PolarHBondContact O-N 3.04Å; G392-V395 VanDerWaalsContact O-CG1 3.29Å; G392-V395 WeakPolarHBondContact O-CG1 3.32Å; G392-V395 PolarHBondContact O-N 2.86Å; G392-S396 WeakPolarHBondContact O-CB 3.38Å; G392-S396 PolarHBondContact O-N 3.05Å; G392-S396 PolarHBondContact O-OG 3.35Å |
| 393 | L | 96.1 | Very high | 95 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63 | -39.2 | 177.2 | -69.2 | 175.8 | 0 | 0 | 0 | 112.1 | W55 V59 V389 S396 L397 | W55-L393 HydrophobicContact CE3-CD2 4.02Å; W55-L393 HydrophobicContact CH2-CD2 4.06Å; W55-L393 HydrophobicContact CZ3-CD2 3.41Å; W55-L393 VanDerWaalsContact CZ3-CD2 3.41Å; V59-L393 HydrophobicContact CG2-CD2 4.46Å; V389-L393 HydrophobicContact CG1-CD1 3.85Å; V389-L393 VanDerWaalsContact O-CB 3.28Å; V389-L393 WeakPolarHBondContact O-CB 3.27Å; V389-L393 WeakPolarHBondContact O-CD1 3.36Å; V389-L393 WeakPolarHBondContact O-CG 3.27Å; V389-L393 PolarHBondContact O-N 2.84Å; V389-L393 VanDerWaalsContact O-N 3.15Å; L393-S396 PolarHBondContact O-N 3.23Å; L393-L397 VanDerWaalsContact O-CB 3.27Å; L393-L397 WeakPolarHBondContact O-CB 3.35Å; L393-L397 PolarHBondContact O-N 2.91Å |
| 394 | F | 96.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.1 | -52.3 | 177.2 | 175.6 | -99.2 | 0 | 0 | 0 | 111.3 | F259 I263 F390 G392 L397 L398 M418 | F259-F394 HydrophobicContact CE2-CB 4.44Å; F259-F394 HydrophobicContact CZ-CB 4.48Å; F259-F394 HydrophobicContact CZ-CG 4.41Å; I263-F394 HydrophobicContact CD1-CD1 3.66Å; I263-F394 HydrophobicContact CD1-CE1 4.09Å; I263-F394 HydrophobicContact CG1-CD1 4.19Å; F390-F394 WeakPolarHBondContact O-CB 3.34Å; F390-F394 PolarHBondContact O-N 2.57Å; G392-F394 VanDerWaalsContact C-N 3.32Å; G392-F394 PolarHBondContact O-N 3.04Å; F394-L397 PolarHBondContact O-N 3.23Å; F394-L398 HydrophobicContact CE1-CD2 4.01Å; F394-L398 HydrophobicContact CZ-CD2 4.09Å; F394-L398 WeakPolarHBondContact O-CB 3.42Å; F394-L398 PolarHBondContact O-N 3.3Å; F394-M418 HydrophobicContact CE1-CE 4.15Å |
| 395 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.8 | -37.5 | -177.9 | 66.8 | 0 | 0 | 0 | 0 | 112.8 | M54 I263 T266 S267 G391 G392 L398 S399 L411 L414 | M54-V395 HydrophobicContact CE-CB 4.48Å; M54-V395 HydrophobicContact CE-CG1 3.84Å; M54-V395 HydrophobicContact CE-CG2 3.96Å; I263-V395 HydrophobicContact CB-CB 4.41Å; I263-V395 HydrophobicContact CG1-CB 4.31Å; I263-V395 HydrophobicContact CG2-CB 3.9Å; I263-V395 HydrophobicContact CG2-CG1 4.48Å; I263-V395 HydrophobicContact CG2-CG2 3.92Å; T266-V395 HydrophobicContact CG2-CG1 3.93Å; S267-V395 WeakPolarHBondContact OG-CG2 3.49Å; G391-V395 PolarHBondContact O-N 3.37Å; G392-V395 VanDerWaalsContact O-CG1 3.29Å; G392-V395 WeakPolarHBondContact O-CG1 3.32Å; G392-V395 PolarHBondContact O-N 2.86Å; V395-L398 PolarHBondContact O-N 2.79Å; V395-S399 VanDerWaalsContact O-CB 3.31Å; V395-S399 WeakPolarHBondContact O-CB 3.49Å; V395-S399 PolarHBondContact O-N 3.22Å; V395-S399 PolarHBondContact O-OG 3.35Å; V395-L411 HydrophobicContact CG2-CD1 3.7Å; V395-L414 HydrophobicContact CG2-CD2 4.32Å |
| 396 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72 | -30.7 | 179.4 | -68 | 0 | 0 | 0 | 0 | 113.9 | M54 W55 S58 G392 L393 S399 I400 | M54-S396 VanDerWaalsContact CB-OG 3.22Å; M54-S396 WeakPolarHBondContact CB-OG 3.24Å; M54-S396 PolarHBondContact O-OG 3.33Å; W55-S396 PolarHBondContact NE1-O 3.07Å; S58-S396 PolarHBondContact OG-OG 3.42Å; G392-S396 WeakPolarHBondContact O-CB 3.38Å; G392-S396 PolarHBondContact O-N 3.05Å; G392-S396 PolarHBondContact O-OG 3.35Å; L393-S396 PolarHBondContact O-N 3.23Å; S396-S399 PolarHBondContact O-OG 2.89Å; S396-I400 WeakPolarHBondContact O-CD1 3.39Å; S396-I400 WeakPolarHBondContact O-CG1 3.35Å |
| 397 | L | 95.9 | Very high | 94 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.7 | -45.8 | 171.6 | -177.2 | 64.4 | 0 | 0 | 0 | 110.2 | W55 L393 F394 S399 I400 V401 | W55-L397 HydrophobicContact CZ2-CB 4.22Å; W55-L397 HydrophobicContact CZ2-CD1 4.28Å; L393-L397 VanDerWaalsContact O-CB 3.27Å; L393-L397 WeakPolarHBondContact O-CB 3.35Å; L393-L397 PolarHBondContact O-N 2.91Å; F394-L397 PolarHBondContact O-N 3.23Å; L397-S399 VanDerWaalsContact C-N 3.35Å; L397-S399 PolarHBondContact O-N 3.21Å; L397-I400 PolarHBondContact O-N 3.05Å; L397-V401 HydrophobicContact CD1-CG2 3.67Å; L397-V401 HydrophobicContact CG-CG2 4.16Å; L397-V401 WeakPolarHBondContact O-CB 3.28Å; L397-V401 WeakPolarHBondContact O-CG2 3.33Å; L397-V401 PolarHBondContact O-N 3.35Å |
| 398 | L | 95.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | -177.9 | -172 | 66.6 | 0 | 0 | 0 | 112.2 | F394 V395 I400 T402 F405 L414 | F394-L398 HydrophobicContact CE1-CD2 4.01Å; F394-L398 HydrophobicContact CZ-CD2 4.09Å; F394-L398 WeakPolarHBondContact O-CB 3.42Å; F394-L398 PolarHBondContact O-N 3.3Å; V395-L398 PolarHBondContact O-N 2.79Å; L398-I400 PolarHBondContact O-N 3.37Å; L398-I400 VanDerWaalsContact O-N 3.17Å; L398-T402 WeakPolarHBondContact CD1-OG1 3.46Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 PolarHBondContact O-N 3.48Å; L398-T402 VanDerWaalsContact O-N 3.11Å; L398-F405 HydrophobicContact CD1-CD2 3.81Å; L398-F405 HydrophobicContact CD1-CE2 3.84Å; L398-F405 HydrophobicContact CD2-CD2 3.81Å; L398-F405 HydrophobicContact CD2-CE2 3.66Å; L398-F405 HydrophobicContact CD2-CG 4.34Å; L398-F405 HydrophobicContact CD2-CZ 4.07Å; L398-F405 HydrophobicContact CG-CD2 3.46Å; L398-F405 VanDerWaalsContact CG-CD2 3.46Å; L398-F405 HydrophobicContact CG-CE2 3.74Å; L398-F405 HydrophobicContact CG-CG 4.11Å; L398-L414 HydrophobicContact CD2-CD1 4.46Å; L398-L414 HydrophobicContact CD2-CD2 3.49Å; L398-L414 VanDerWaalsContact CD2-CD2 3.49Å |
| 399 | S | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -11.4 | 178.9 | 70.1 | 0 | 0 | 0 | 0 | 114.5 | N51 V395 S396 L397 H406 | N51-S399 WeakPolarHBondContact CB-O 3.33Å; N51-S399 PolarHBondContact ND2-O 2.83Å; V395-S399 VanDerWaalsContact O-CB 3.31Å; V395-S399 WeakPolarHBondContact O-CB 3.49Å; V395-S399 PolarHBondContact O-N 3.22Å; V395-S399 PolarHBondContact O-OG 3.35Å; S396-S399 PolarHBondContact O-OG 2.89Å; L397-S399 VanDerWaalsContact C-N 3.35Å; L397-S399 PolarHBondContact O-N 3.21Å; S399-H406 PolarHBondContact O-CD2 3.29Å; S399-H406 VanDerWaalsContact O-CD2 3.25Å |
| 400 | I | 92.3 | Very high | 93.7 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -107.3 | -48.3 | 176.6 | -61.7 | 171.9 | 0 | 0 | 0 | 110.8 | N51 S396 L397 L398 H406 | N51-I400 HydrophobicContact CB-CG1 4.35Å; S396-I400 WeakPolarHBondContact O-CD1 3.39Å; S396-I400 WeakPolarHBondContact O-CG1 3.35Å; L397-I400 PolarHBondContact O-N 3.05Å; L398-I400 PolarHBondContact O-N 3.37Å; L398-I400 VanDerWaalsContact O-N 3.17Å; I400-H406 PolarHBondContact O-NE2 3.11Å |
| 401 | V | 93.4 | Very high | 93.7 | Very high | 98 Ų | 98 | 51.2 Ų | 51.2 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.8 | -28.3 | -170.5 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | L397 | L397-V401 HydrophobicContact CD1-CG2 3.67Å; L397-V401 HydrophobicContact CG-CG2 4.16Å; L397-V401 WeakPolarHBondContact O-CB 3.28Å; L397-V401 WeakPolarHBondContact O-CG2 3.33Å; L397-V401 PolarHBondContact O-N 3.35Å |
| 402 | T | 92.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | trans | -108.8 | 112.3 | -175 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | L398 Q404 F405 H406 | L398-T402 WeakPolarHBondContact CD1-OG1 3.46Å; L398-T402 WeakPolarHBondContact O-CB 3.48Å; L398-T402 PolarHBondContact O-N 3.48Å; L398-T402 VanDerWaalsContact O-N 3.11Å; T402-Q404 HydrophobicContact CG2-CB 4.35Å; T402-Q404 PolarHBondContact O-N 3.24Å; T402-Q404 VanDerWaalsContact O-N 3.13Å; T402-F405 HydrophobicContact CG2-CD2 3.52Å; T402-F405 HydrophobicContact CG2-CE2 3.9Å; T402-F405 PolarHBondContact O-N 2.91Å; T402-H406 PolarHBondContact O-CD2 2.66Å | ||
| 403 | P | 89.8 | Confident | 93.8 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 60% | 0.597 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -55.6 | -33.7 | -174.5 | -29.1 | 35.8 | 0 | 0 | 0 | 115 | F405 H406 | P403-F405 PolarHBondContact O-N 2.83Å; P403-H406 VanDerWaalsContact O-CB 3.23Å; P403-H406 WeakPolarHBondContact O-CB 3.44Å; P403-H406 PolarHBondContact O-N 3.13Å |
| 404 | Q | 88.7 | Confident | 93.8 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -59.1 | -33.8 | 177.5 | -66.4 | 176.4 | -1.3 | 0 | 0 | 112.1 | T402 H406 N410 | T402-Q404 HydrophobicContact CG2-CB 4.35Å; T402-Q404 PolarHBondContact O-N 3.24Å; T402-Q404 VanDerWaalsContact O-N 3.13Å; Q404-H406 VanDerWaalsContact C-N 3.29Å; Q404-H406 PolarHBondContact O-N 3.18Å; Q404-N410 VanDerWaalsContact O-CB 3.22Å; Q404-N410 WeakPolarHBondContact O-CB 3.18Å; Q404-N410 PolarHBondContact O-ND2 3.33Å |
| 405 | F | 90.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -89.3 | 8.8 | 179.6 | -61.9 | -68 | 0 | 0 | 0 | 113.3 | N51 L398 T402 P403 E407 N410 L414 | N51-F405 PolarHBondContact ND2-O 3.36Å; L398-F405 HydrophobicContact CD1-CD2 3.81Å; L398-F405 HydrophobicContact CD1-CE2 3.84Å; L398-F405 HydrophobicContact CD2-CD2 3.81Å; L398-F405 HydrophobicContact CD2-CE2 3.66Å; L398-F405 HydrophobicContact CD2-CG 4.34Å; L398-F405 HydrophobicContact CD2-CZ 4.07Å; L398-F405 HydrophobicContact CG-CD2 3.46Å; L398-F405 VanDerWaalsContact CG-CD2 3.46Å; L398-F405 HydrophobicContact CG-CE2 3.74Å; L398-F405 HydrophobicContact CG-CG 4.11Å; T402-F405 HydrophobicContact CG2-CD2 3.52Å; T402-F405 HydrophobicContact CG2-CE2 3.9Å; T402-F405 PolarHBondContact O-N 2.91Å; P403-F405 PolarHBondContact O-N 2.83Å; F405-E407 VanDerWaalsContact C-N 3.25Å; F405-N410 HydrophobicContact CD1-CB 3.96Å; F405-N410 HydrophobicContact CE1-CB 4.22Å; F405-N410 WeakPolarHBondContact CE1-O 3.18Å; F405-L414 HydrophobicContact CD1-CB 4.42Å; F405-L414 HydrophobicContact CD1-CD2 4.37Å; F405-L414 HydrophobicContact CE1-CB 3.84Å; F405-L414 HydrophobicContact CE1-CD2 4.15Å; F405-L414 HydrophobicContact CE1-CG 4.42Å |
| 406 | H | 88.9 | Confident | 94 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 38% | 0.384 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -71.6 | -28.1 | 165.2 | -62.5 | -177.1 | 0 | 0 | 0 | 110.7 | S399 I400 T402 P403 Q404 | S399-H406 PolarHBondContact O-CD2 3.29Å; S399-H406 VanDerWaalsContact O-CD2 3.25Å; I400-H406 PolarHBondContact O-NE2 3.11Å; T402-H406 PolarHBondContact O-CD2 2.66Å; P403-H406 VanDerWaalsContact O-CB 3.23Å; P403-H406 WeakPolarHBondContact O-CB 3.44Å; P403-H406 PolarHBondContact O-N 3.13Å; Q404-H406 VanDerWaalsContact C-N 3.29Å; Q404-H406 PolarHBondContact O-N 3.18Å |
| 407 | E | 91.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -81.2 | 138.9 | 176.2 | -63 | 178 | 172.3 | 0 | 0 | 111.6 | F405 D409 N410 L411 | F405-E407 VanDerWaalsContact C-N 3.25Å; E407-D409 VanDerWaalsContact C-N 3.3Å; E407-D409 PolarHBondContact O-N 3.36Å; E407-N410 PolarHBondContact OE2-ND2 3.46Å; E407-L411 PolarHBondContact O-N 3.48Å |
| 408 | W | 90.3 | Very high | 94.2 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | -179.5 | -56.1 | 118.9 | 0 | 0 | 0 | 112.3 | L271 L274 F275 N410 L411 F412 | L271-W408 HydrophobicContact CB-CZ3 4.29Å; L271-W408 HydrophobicContact CD1-CE3 4.36Å; L271-W408 HydrophobicContact CD1-CZ3 3.8Å; L271-W408 HydrophobicContact CD2-CH2 4.32Å; L271-W408 HydrophobicContact CD2-CZ3 3.93Å; L271-W408 HydrophobicContact CG-CZ3 4.23Å; L274-W408 HydrophobicContact CD2-CH2 3.61Å; L274-W408 HydrophobicContact CD2-CZ2 4.26Å; L274-W408 HydrophobicContact CG-CH2 4.04Å; L274-W408 HydrophobicContact CG-CZ2 4.29Å; F275-W408 HydrophobicContact CD2-CB 4.01Å; F275-W408 HydrophobicContact CD2-CD2 4.41Å; F275-W408 AromaticContact CD2-CG 3.87Å; F275-W408 HydrophobicContact CD2-CG 3.87Å; F275-W408 HydrophobicContact CE2-CB 4.38Å; W408-N410 PolarHBondContact O-N 2.82Å; W408-L411 PolarHBondContact O-N 2.9Å; W408-F412 HydrophobicContact CB-CD2 4.23Å; W408-F412 HydrophobicContact CB-CE2 4.12Å; W408-F412 WeakPolarHBondContact O-CD2 3.32Å; W408-F412 PolarHBondContact O-N 3.47Å |
| 409 | D | 94 | Very high | 94.3 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.3 | -55.2 | -175.1 | -62.8 | 14.2 | 0 | 0 | 0 | 111.4 | P332 E407 L411 F412 Y413 | P332-D409 HydrophobicContact CB-CB 4.32Å; P332-D409 VanDerWaalsContact CB-OD1 3.23Å; P332-D409 WeakPolarHBondContact CB-OD1 3.36Å; E407-D409 VanDerWaalsContact C-N 3.3Å; E407-D409 PolarHBondContact O-N 3.36Å; D409-L411 VanDerWaalsContact C-N 3.27Å; D409-L411 PolarHBondContact O-N 2.72Å; D409-F412 PolarHBondContact O-N 2.81Å; D409-Y413 HydrophobicContact CB-CE2 3.98Å; D409-Y413 VanDerWaalsContact O-CD2 3.23Å; D409-Y413 WeakPolarHBondContact O-CD2 3.42Å; D409-Y413 PolarHBondContact O-N 2.88Å |
| 410 | N | 96.1 | Very high | 94.5 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -35.4 | -179.3 | -65.5 | -36 | 0 | 0 | 0 | 111.9 | Q404 F405 E407 W408 Y413 L414 | Q404-N410 VanDerWaalsContact O-CB 3.22Å; Q404-N410 WeakPolarHBondContact O-CB 3.18Å; Q404-N410 PolarHBondContact O-ND2 3.33Å; F405-N410 HydrophobicContact CD1-CB 3.96Å; F405-N410 HydrophobicContact CE1-CB 4.22Å; F405-N410 WeakPolarHBondContact CE1-O 3.18Å; E407-N410 PolarHBondContact OE2-ND2 3.46Å; W408-N410 PolarHBondContact O-N 2.82Å; N410-Y413 PolarHBondContact O-N 2.93Å; N410-L414 WeakPolarHBondContact O-CB 3.38Å; N410-L414 PolarHBondContact O-N 3.31Å |
| 411 | L | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 176.3 | -171.1 | 67.5 | 0 | 0 | 0 | 111.9 | M54 L271 V395 E407 W408 D409 L414 C415 | M54-L411 HydrophobicContact SD-CD2 4.29Å; L271-L411 HydrophobicContact CD1-CD2 3.26Å; V395-L411 HydrophobicContact CG2-CD1 3.7Å; E407-L411 PolarHBondContact O-N 3.48Å; W408-L411 PolarHBondContact O-N 2.9Å; D409-L411 VanDerWaalsContact C-N 3.27Å; D409-L411 PolarHBondContact O-N 2.72Å; L411-L414 WeakPolarHBondContact O-CB 3.21Å; L411-L414 PolarHBondContact O-N 3.09Å; L411-C415 PolarHBondContact O-N 2.93Å; L411-C415 VanDerWaalsContact O-N 3.07Å; L411-C415 PolarHBondContact O-SG 2.9Å |
| 412 | F | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.4 | -31.3 | 176.1 | -72.7 | -59.9 | 0 | 0 | 0 | 112.8 | L268 F275 L328 F331 P332 W408 D409 C415 A416 | L268-F412 HydrophobicContact CD2-CE1 3.94Å; F275-F412 HydrophobicContact CB-CE2 4.46Å; F275-F412 HydrophobicContact CD2-CE2 4.17Å; F275-F412 HydrophobicContact CG-CE2 4.18Å; L328-F412 HydrophobicContact CD2-CD1 4.12Å; F331-F412 HydrophobicContact CD1-CD1 4.13Å; F331-F412 HydrophobicContact CD1-CD2 4.16Å; F331-F412 AromaticContact CD1-CE1 3.71Å; F331-F412 HydrophobicContact CD1-CE1 3.71Å; F331-F412 AromaticContact CD1-CE2 3.74Å; F331-F412 HydrophobicContact CD1-CE2 3.74Å; F331-F412 HydrophobicContact CD1-CG 4.37Å; F331-F412 AromaticContact CD1-CZ 3.52Å; F331-F412 HydrophobicContact CD1-CZ 3.52Å; F331-F412 HydrophobicContact CE1-CE1 4.06Å; F331-F412 HydrophobicContact CE1-CE2 4.1Å; F331-F412 AromaticContact CE1-CZ 3.62Å; F331-F412 HydrophobicContact CE1-CZ 3.62Å; P332-F412 HydrophobicContact CB-CD2 4.22Å; P332-F412 HydrophobicContact CG-CB 4.08Å; P332-F412 HydrophobicContact CG-CD2 4.33Å; W408-F412 HydrophobicContact CB-CD2 4.23Å; W408-F412 HydrophobicContact CB-CE2 4.12Å; W408-F412 WeakPolarHBondContact O-CD2 3.32Å; W408-F412 PolarHBondContact O-N 3.47Å; D409-F412 PolarHBondContact O-N 2.81Å; F412-C415 WeakPolarHBondContact O-CB 3.2Å; F412-C415 PolarHBondContact O-N 3.49Å; F412-A416 PolarHBondContact O-N 2.88Å |
| 413 | Y | 98 | Very high | 95.2 | Very high | 87 Ų | 87 | 47 Ų | 47 | 34% | 0.341 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 170.9 | -61.3 | -29.5 | 0 | 0 | 0 | 112.6 | T329 P332 H333 D409 N410 C415 A416 A417 | T329-Y413 HydrophobicContact CG2-CD1 4.18Å; T329-Y413 HydrophobicContact CG2-CE1 4.12Å; P332-Y413 HydrophobicContact CG-CE1 4.33Å; H333-Y413 PolarHBondContact CE1-OH 3.49Å; H333-Y413 AromaticContact NE2-CE1 3.75Å; H333-Y413 AromaticContact NE2-CZ 3.59Å; H333-Y413 PolarHBondContact NE2-OH 3.03Å; D409-Y413 HydrophobicContact CB-CE2 3.98Å; D409-Y413 VanDerWaalsContact O-CD2 3.23Å; D409-Y413 WeakPolarHBondContact O-CD2 3.42Å; D409-Y413 PolarHBondContact O-N 2.88Å; N410-Y413 PolarHBondContact O-N 2.93Å; Y413-C415 VanDerWaalsContact C-N 3.3Å; Y413-C415 PolarHBondContact O-N 3.41Å; Y413-A416 PolarHBondContact O-N 3.42Å; Y413-A417 WeakPolarHBondContact O-CB 3.08Å; Y413-A417 PolarHBondContact O-N 3.42Å |
| 414 | L | 97.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 171.5 | 174.6 | 70.6 | 0 | 0 | 0 | 110.7 | I263 V395 L398 F405 N410 L411 A416 A417 M418 | I263-L414 HydrophobicContact CG2-CD2 4.45Å; I263-L414 HydrophobicContact CG2-CG 4.47Å; V395-L414 HydrophobicContact CG2-CD2 4.32Å; L398-L414 HydrophobicContact CD2-CD1 4.46Å; L398-L414 HydrophobicContact CD2-CD2 3.49Å; L398-L414 VanDerWaalsContact CD2-CD2 3.49Å; F405-L414 HydrophobicContact CD1-CB 4.42Å; F405-L414 HydrophobicContact CD1-CD2 4.37Å; F405-L414 HydrophobicContact CE1-CB 3.84Å; F405-L414 HydrophobicContact CE1-CD2 4.15Å; F405-L414 HydrophobicContact CE1-CG 4.42Å; N410-L414 WeakPolarHBondContact O-CB 3.38Å; N410-L414 PolarHBondContact O-N 3.31Å; L411-L414 WeakPolarHBondContact O-CB 3.21Å; L411-L414 PolarHBondContact O-N 3.09Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-A416 PolarHBondContact O-N 3.17Å; L414-A417 PolarHBondContact O-N 3.05Å; L414-M418 HydrophobicContact CD1-CE 3.64Å; L414-M418 HydrophobicContact CD1-CG 4.43Å; L414-M418 VanDerWaalsContact O-CG 3.25Å; L414-M418 WeakPolarHBondContact O-CG 3.39Å; L414-M418 PolarHBondContact O-N 3.38Å |
| 415 | C | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -46.9 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 111.7 | P264 S267 L328 L411 F412 Y413 M418 C419 | P264-C415 HydrophobicContact CB-CB 3.87Å; S267-C415 PolarHBondContact OG-SG 3.36Å; L328-C415 HydrophobicContact CD1-CB 4.07Å; L328-C415 HydrophobicContact CD2-CB 4.06Å; L411-C415 PolarHBondContact O-N 2.93Å; L411-C415 VanDerWaalsContact O-N 3.07Å; L411-C415 PolarHBondContact O-SG 2.9Å; F412-C415 WeakPolarHBondContact O-CB 3.2Å; F412-C415 PolarHBondContact O-N 3.49Å; Y413-C415 VanDerWaalsContact C-N 3.3Å; Y413-C415 PolarHBondContact O-N 3.41Å; C415-M418 PolarHBondContact O-N 3.14Å; C415-C419 PolarHBondContact O-N 3.39Å; C415-C419 PolarHBondContact O-SG 2.67Å; C415-C419 VanDerWaalsContact O-SG 3.33Å |
| 416 | A | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S325 L328 T329 F412 Y413 L414 M418 C419 I420 | S325-A416 WeakPolarHBondContact O-CB 3.41Å; S325-A416 PolarHBondContact OG-O 3.25Å; L328-A416 HydrophobicContact CB-CB 3.99Å; T329-A416 WeakPolarHBondContact OG1-CB 3.44Å; F412-A416 PolarHBondContact O-N 2.88Å; Y413-A416 PolarHBondContact O-N 3.42Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-A416 PolarHBondContact O-N 3.17Å; A416-M418 VanDerWaalsContact C-N 3.26Å; A416-M418 PolarHBondContact O-N 3.24Å; A416-C419 WeakPolarHBondContact O-CA 3.48Å; A416-C419 VanDerWaalsContact O-CB 3.32Å; A416-C419 WeakPolarHBondContact O-CB 3.36Å; A416-C419 PolarHBondContact O-N 3.02Å; A416-I420 PolarHBondContact O-N 3.26Å; A416-I420 VanDerWaalsContact O-N 3.08Å |
| 417 | A | 98.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 47% | 0.471 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.9 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y413 L414 I420 L421 | Y413-A417 WeakPolarHBondContact O-CB 3.08Å; Y413-A417 PolarHBondContact O-N 3.42Å; L414-A417 PolarHBondContact O-N 3.05Å; A417-I420 PolarHBondContact O-N 3.1Å; A417-L421 PolarHBondContact O-N 3.4Å |
| 418 | M | 98.1 | Very high | 96.3 | Very high | 29 Ų | 29 | 40.3 Ų | 40.3 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -34.9 | 175.4 | -66.8 | -65.9 | 165.3 | 0 | 0 | 112.4 | C260 I263 F394 L414 C415 A416 I420 L421 A422 | C260-M418 HydrophobicContact CB-CB 4.34Å; C260-M418 WeakPolarHBondContact CB-O 3.28Å; I263-M418 HydrophobicContact CB-CG 4.39Å; I263-M418 HydrophobicContact CD1-CB 4.35Å; I263-M418 HydrophobicContact CD1-CE 4.14Å; I263-M418 HydrophobicContact CD1-CG 3.59Å; I263-M418 HydrophobicContact CD1-SD 3.7Å; I263-M418 HydrophobicContact CG2-CG 4.21Å; F394-M418 HydrophobicContact CE1-CE 4.15Å; L414-M418 HydrophobicContact CD1-CE 3.64Å; L414-M418 HydrophobicContact CD1-CG 4.43Å; L414-M418 VanDerWaalsContact O-CG 3.25Å; L414-M418 WeakPolarHBondContact O-CG 3.39Å; L414-M418 PolarHBondContact O-N 3.38Å; C415-M418 PolarHBondContact O-N 3.14Å; A416-M418 VanDerWaalsContact C-N 3.26Å; A416-M418 PolarHBondContact O-N 3.24Å; M418-I420 VanDerWaalsContact C-N 3.34Å; M418-L421 PolarHBondContact O-N 3.18Å; M418-L421 HydrophobicContact SD-CD2 4.27Å; M418-A422 WeakPolarHBondContact O-CB 3.3Å; M418-A422 PolarHBondContact O-N 3.16Å |
| 419 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 170.8 | -63.4 | 0 | 0 | 0 | 0 | 112 | L321 L328 C415 A416 A422 L423 | L321-C419 HydrophobicContact CD2-CB 4.47Å; L328-C419 VanDerWaalsContact CD1-SG 3.59Å; C415-C419 PolarHBondContact O-N 3.39Å; C415-C419 PolarHBondContact O-SG 2.67Å; C415-C419 VanDerWaalsContact O-SG 3.33Å; A416-C419 WeakPolarHBondContact O-CA 3.48Å; A416-C419 VanDerWaalsContact O-CB 3.32Å; A416-C419 WeakPolarHBondContact O-CB 3.36Å; A416-C419 PolarHBondContact O-N 3.02Å; C419-A422 PolarHBondContact O-N 2.87Å; C419-L423 WeakPolarHBondContact O-CB 3.48Å; C419-L423 PolarHBondContact O-N 3.16Å |
| 420 | I | 98.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 32% | 0.318 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -43.1 | 175.3 | -60.9 | -57.7 | 0 | 0 | 0 | 111.2 | S325 A416 A417 M418 A422 L423 L424 | S325-I420 WeakPolarHBondContact OG-CD1 3.37Å; S325-I420 WeakPolarHBondContact OG-CG1 3.37Å; A416-I420 PolarHBondContact O-N 3.26Å; A416-I420 VanDerWaalsContact O-N 3.08Å; A417-I420 PolarHBondContact O-N 3.1Å; M418-I420 VanDerWaalsContact C-N 3.34Å; I420-A422 VanDerWaalsContact C-N 3.33Å; I420-A422 PolarHBondContact O-N 3.31Å; I420-L423 HydrophobicContact CD1-CD2 4.32Å; I420-L423 WeakPolarHBondContact O-CB 3.35Å; I420-L423 PolarHBondContact O-N 3.23Å; I420-L423 VanDerWaalsContact O-N 3.11Å; I420-L424 HydrophobicContact CG2-CD1 4.49Å; I420-L424 WeakPolarHBondContact O-CG 3.43Å; I420-L424 PolarHBondContact O-N 3.48Å |
| 421 | L | 98.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 41% | 0.408 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 176.1 | -178.5 | 60.4 | 0 | 0 | 0 | 111.4 | A417 M418 L423 L424 I425 | A417-L421 PolarHBondContact O-N 3.4Å; M418-L421 PolarHBondContact O-N 3.18Å; M418-L421 HydrophobicContact SD-CD2 4.27Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 2.85Å; L421-L424 PolarHBondContact O-N 3.49Å; L421-I425 WeakPolarHBondContact O-CG1 3.46Å; L421-I425 PolarHBondContact O-N 3.13Å |
| 422 | A | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I257 C260 L321 M418 C419 I420 L424 I425 V426 | I257-A422 HydrophobicContact CG1-CB 4.41Å; I257-A422 HydrophobicContact CG2-CB 4.29Å; C260-A422 HydrophobicContact CB-CB 3.79Å; L321-A422 HydrophobicContact CD1-CB 3.84Å; L321-A422 HydrophobicContact CD2-CB 4Å; M418-A422 WeakPolarHBondContact O-CB 3.3Å; M418-A422 PolarHBondContact O-N 3.16Å; C419-A422 PolarHBondContact O-N 2.87Å; I420-A422 VanDerWaalsContact C-N 3.33Å; I420-A422 PolarHBondContact O-N 3.31Å; A422-L424 VanDerWaalsContact C-N 3.29Å; A422-L424 PolarHBondContact O-N 3.47Å; A422-I425 WeakPolarHBondContact O-CB 3.39Å; A422-I425 PolarHBondContact O-N 2.87Å; A422-V426 WeakPolarHBondContact O-CG2 3.19Å; A422-V426 PolarHBondContact O-N 2.91Å; A422-V426 VanDerWaalsContact O-N 3.12Å |
| 423 | L | 97.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 179.7 | 175.2 | 62.8 | 0 | 0 | 0 | 112.1 | C318 L321 L322 C419 I420 L421 I425 V426 P427 | C318-L423 VanDerWaalsContact CA-CD1 3.49Å; C318-L423 HydrophobicContact CB-CD1 3.63Å; C318-L423 WeakPolarHBondContact O-CD1 3.28Å; L321-L423 HydrophobicContact CB-CB 4.03Å; L321-L423 HydrophobicContact CB-CD1 4.39Å; L321-L423 HydrophobicContact CD1-CB 4.33Å; L322-L423 HydrophobicContact CB-CD2 4.09Å; L322-L423 HydrophobicContact CD1-CD2 4.24Å; C419-L423 WeakPolarHBondContact O-CB 3.48Å; C419-L423 PolarHBondContact O-N 3.16Å; I420-L423 HydrophobicContact CD1-CD2 4.32Å; I420-L423 WeakPolarHBondContact O-CB 3.35Å; I420-L423 PolarHBondContact O-N 3.23Å; I420-L423 VanDerWaalsContact O-N 3.11Å; L421-L423 VanDerWaalsContact C-N 3.32Å; L421-L423 PolarHBondContact O-N 2.85Å; L423-I425 PolarHBondContact O-N 3.49Å; L423-V426 PolarHBondContact O-N 3.01Å; L423-P427 WeakPolarHBondContact O-CD 3.29Å |
| 424 | L | 97.2 | Very high | 92 | Very high | 111 Ų | 111 | 45.7 Ų | 45.7 | 58% | 0.581 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -66.6 | -23.1 | 177 | -66.1 | 175.3 | 0 | 0 | 0 | 112.9 | I420 L421 A422 W428 | I420-L424 HydrophobicContact CG2-CD1 4.49Å; I420-L424 WeakPolarHBondContact O-CG 3.43Å; I420-L424 PolarHBondContact O-N 3.48Å; L421-L424 PolarHBondContact O-N 3.49Å; A422-L424 VanDerWaalsContact C-N 3.29Å; A422-L424 PolarHBondContact O-N 3.47Å; L424-W428 PolarHBondContact O-NE1 3.37Å; L424-W428 VanDerWaalsContact O-NE1 3.11Å |
| 425 | I | 96.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 47 Ų | 47 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -88.2 | -34.4 | -179 | -61.7 | 167.8 | 0 | 0 | 0 | 111.7 | F253 I256 I257 L421 A422 L423 P427 W428 | F253-I425 HydrophobicContact CB-CG2 3.99Å; F253-I425 HydrophobicContact CD1-CG2 3.89Å; F253-I425 HydrophobicContact CG-CG2 4.32Å; I256-I425 HydrophobicContact CB-CD1 4.04Å; I256-I425 HydrophobicContact CG2-CD1 3.32Å; I257-I425 HydrophobicContact CD1-CB 4.29Å; I257-I425 HydrophobicContact CD1-CG2 3.93Å; I257-I425 HydrophobicContact CG1-CB 3.99Å; I257-I425 HydrophobicContact CG1-CG2 3.91Å; L421-I425 WeakPolarHBondContact O-CG1 3.46Å; L421-I425 PolarHBondContact O-N 3.13Å; A422-I425 WeakPolarHBondContact O-CB 3.39Å; A422-I425 PolarHBondContact O-N 2.87Å; L423-I425 PolarHBondContact O-N 3.49Å; I425-P427 VanDerWaalsContact C-CD 3.45Å; I425-P427 VanDerWaalsContact C-N 3.33Å; I425-W428 WeakPolarHBondContact O-CB 3.47Å; I425-W428 PolarHBondContact O-N 3.35Å |
| 426 | V | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -49.5 | -45.3 | -177.5 | 180 | 0 | 0 | 0 | 0 | 113.1 | I257 K314 L317 C318 L321 A422 L423 W428 I429 | I257-V426 HydrophobicContact CD1-CB 4.44Å; I257-V426 HydrophobicContact CD1-CG2 3.8Å; I257-V426 HydrophobicContact CG1-CG2 4.32Å; K314-V426 WeakPolarHBondContact CE-O 3.44Å; K314-V426 HydrophobicContact CG-CG1 3.65Å; L317-V426 HydrophobicContact CD2-CG1 4.2Å; L317-V426 HydrophobicContact CD2-CG2 3.74Å; L317-V426 HydrophobicContact CG-CG2 3.94Å; C318-V426 WeakPolarHBondContact SG-CG1 3.46Å; L321-V426 HydrophobicContact CD1-CG2 3.62Å; A422-V426 WeakPolarHBondContact O-CG2 3.19Å; A422-V426 PolarHBondContact O-N 2.91Å; A422-V426 VanDerWaalsContact O-N 3.12Å; L423-V426 PolarHBondContact O-N 3.01Å; V426-W428 PolarHBondContact O-N 3.4Å; V426-I429 PolarHBondContact O-N 3.47Å; V426-I429 VanDerWaalsContact O-N 3.13Å |
| 427 | P | 91.9 | Very high | 87.4 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -56 | -23.4 | 178.1 | -28.4 | 37 | 0 | 0 | 0 | 115.4 | K314 L423 I425 F441 | K314-P427 VanDerWaalsContact CE-CA 3.45Å; K314-P427 WeakPolarHBondContact CE-O 3.36Å; K314-P427 PolarHBondContact NZ-O 3.18Å; L423-P427 WeakPolarHBondContact O-CD 3.29Å; I425-P427 VanDerWaalsContact C-CD 3.45Å; I425-P427 VanDerWaalsContact C-N 3.33Å; P427-F441 HydrophobicContact CG-CE1 4.49Å |
| 428 | W | 91.2 | Very high | 85.7 | Confident | 155 Ų | 155 | 67.1 Ų | 67.1 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -83.4 | -14.2 | -177.6 | -57.8 | 89.5 | 0 | 0 | 0 | 113.7 | F253 L424 I425 V426 H430 | F253-W428 HydrophobicContact CD1-CB 4.41Å; F253-W428 HydrophobicContact CD2-CB 4.36Å; F253-W428 HydrophobicContact CE1-CB 4.18Å; F253-W428 HydrophobicContact CE2-CB 4.12Å; F253-W428 HydrophobicContact CZ-CB 4.03Å; L424-W428 PolarHBondContact O-NE1 3.37Å; L424-W428 VanDerWaalsContact O-NE1 3.11Å; I425-W428 WeakPolarHBondContact O-CB 3.47Å; I425-W428 PolarHBondContact O-N 3.35Å; V426-W428 PolarHBondContact O-N 3.4Å; W428-H430 PolarHBondContact O-N 3.42Å |
| 429 | I | 91.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -72.2 | 126.7 | 174.7 | -64.3 | 179.1 | 0 | 0 | 0 | 110 | F253 L254 I257 F313 K314 L371 V426 D431 | F253-I429 HydrophobicContact CB-CD1 4.17Å; F253-I429 HydrophobicContact CB-CG1 3.65Å; F253-I429 HydrophobicContact CG-CG1 4.46Å; L254-I429 HydrophobicContact CB-CD1 4.31Å; L254-I429 HydrophobicContact CD1-CD1 4.44Å; I257-I429 HydrophobicContact CD1-CD1 3.51Å; I257-I429 HydrophobicContact CD1-CG1 4.44Å; F313-I429 HydrophobicContact CE2-CG2 4.14Å; F313-I429 HydrophobicContact CZ-CG2 3.91Å; K314-I429 PolarHBondContact NZ-O 3.22Å; L371-I429 HydrophobicContact CD1-CG2 4.06Å; L371-I429 HydrophobicContact CD2-CG2 4.17Å; V426-I429 PolarHBondContact O-N 3.47Å; V426-I429 VanDerWaalsContact O-N 3.13Å; I429-D431 PolarHBondContact O-N 2.92Å |
| 430 | H | 84 | Confident | 81.5 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 43% | 0.431 | 36% | 0.36 | S | S | . | . | trans | -83.6 | 99.5 | 173.6 | -169.5 | 72.7 | 0 | 0 | 0 | 110.9 | L371 W428 | L371-H430 VanDerWaalsContact CD2-O 3.3Å; L371-H430 WeakPolarHBondContact CD2-O 3.26Å; W428-H430 PolarHBondContact O-N 3.42Å | ||
| 431 | D | 81.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | trans | -94.7 | 122.9 | 175.3 | 177.7 | 29.2 | 0 | 0 | 0 | 112.3 | S312 F313 I429 K433 M434 | S312-D431 WeakPolarHBondContact CB-OD2 3.48Å; S312-D431 PolarHBondContact OG-OD2 3.12Å; F313-D431 HydrophobicContact CE1-CB 3.98Å; F313-D431 HydrophobicContact CZ-CB 4.02Å; I429-D431 PolarHBondContact O-N 2.92Å; D431-K433 PolarHBondContact OD1-N 3.09Å; D431-M434 HydrophobicContact CB-CB 4.35Å; D431-M434 PolarHBondContact OD2-N 3.49Å | ||
| 432 | R | 74 | Confident | 77.4 | Confident | 143 Ų | 143 | 76.8 Ų | 76.8 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26 | 179.6 | -58.4 | 178.3 | -173.1 | -166.1 | 2 | 113 | M434 | R432-M434 VanDerWaalsContact C-N 3.28Š|
| 433 | K | 74 | Confident | 75.1 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.2 | 179.7 | -74.9 | -176.4 | 178.5 | 169.9 | 0 | 113.1 | T370 D431 P435 | T370-K433 HydrophobicContact CG2-CB 4.46Å; T370-K433 HydrophobicContact CG2-CD 3.72Å; T370-K433 HydrophobicContact CG2-CG 3.8Å; T370-K433 PolarHBondContact OG1-NZ 3.11Å; T370-K433 VanDerWaalsContact OG1-NZ 3.11Å; D431-K433 PolarHBondContact OD1-N 3.09Å; K433-P435 WeakPolarHBondContact O-CD 3.38Å |
| 434 | M | 74.6 | Confident | 72.7 | Confident | 6 Ų | 6 | 87.1 Ų | 87.1 | 3% | 0.03 | 40% | 0.399 | C | S | . | . | trans | -62.9 | 120.7 | -173.5 | -167.5 | 165.6 | -161.2 | 0 | 0 | 112.8 | K314 V315 D431 R432 F438 F441 R442 | K314-M434 HydrophobicContact CD-CE 4.45Å; K314-M434 HydrophobicContact CD-SD 3.99Å; V315-M434 HydrophobicContact CG2-CE 3.52Å; D431-M434 HydrophobicContact CB-CB 4.35Å; D431-M434 PolarHBondContact OD2-N 3.49Å; R432-M434 VanDerWaalsContact C-N 3.28Å; M434-F438 HydrophobicContact CE-CB 3.38Å; M434-F438 HydrophobicContact CE-CG 4.21Å; M434-F438 HydrophobicContact CG-CB 4.34Å; M434-F441 HydrophobicContact CE-CB 3.29Å; M434-F441 HydrophobicContact CE-CD2 3.95Å; M434-F441 HydrophobicContact CE-CG 3.84Å; M434-F441 HydrophobicContact SD-CB 3.92Å; M434-R442 PolarHBondContact O-NH2 2.92Å | ||
| 435 | P | 68.8 | Low | 70.1 | Confident | 48 Ų | 48 | 91.5 Ų | 91.5 | 31% | 0.312 | 41% | 0.408 | S | S | . | . | trans | -56 | 147 | 177.8 | -24.7 | 32.8 | 0 | 0 | 0 | 112.5 | I311 K433 Y437 F438 | I311-P435 WeakPolarHBondContact O-CD 3.28Å; K433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-Y437 PolarHBondContact O-N 3.24Å; P435-Y437 VanDerWaalsContact O-N 3.15Å; P435-F438 HydrophobicContact CB-CD2 4.37Å; P435-F438 HydrophobicContact CG-CD2 4.47Å; P435-F438 PolarHBondContact O-N 3.17Å | ||
| 436 | K | 65.1 | Low | 67.3 | Low | 177 Ų | 177 | 99.4 Ų | 99.4 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.8 | -176.9 | -68.3 | -176.4 | -178 | 177 | 0 | 113.6 | F438 | K436-F438 VanDerWaalsContact C-N 3.28Å; K436-F438 PolarHBondContact O-N 3.3Å |
| 437 | Y | 64.6 | Low | 64.6 | Low | 221 Ų | 221 | 103 Ų | 103 | 87% | 0.867 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.8 | -178.9 | -113.5 | -90.5 | 0 | 0 | 0 | 114.1 | P435 S439 | P435-Y437 PolarHBondContact O-N 3.24Å; P435-Y437 VanDerWaalsContact O-N 3.15Å; Y437-S439 VanDerWaalsContact C-N 3.25Å; Y437-S439 PolarHBondContact O-N 3.01Å |
| 438 | F | 61.9 | Low | 61.8 | Low | 86 Ų | 86 | 109.4 Ų | 109.4 | 38% | 0.377 | 50% | 0.496 | S | S | . | . | trans | -91.7 | 45.4 | 176 | -68.7 | -83.5 | 0 | 0 | 0 | 112.2 | I311 V315 M434 P435 K436 L440 F441 | I311-F438 HydrophobicContact CG2-CE2 4.18Å; V315-F438 HydrophobicContact CG1-CE1 4.45Å; V315-F438 HydrophobicContact CG2-CD1 4.11Å; V315-F438 HydrophobicContact CG2-CE1 4.44Å; V315-F438 HydrophobicContact CG2-CG 4.42Å; M434-F438 HydrophobicContact CE-CB 3.38Å; M434-F438 HydrophobicContact CE-CG 4.21Å; M434-F438 HydrophobicContact CG-CB 4.34Å; P435-F438 HydrophobicContact CB-CD2 4.37Å; P435-F438 HydrophobicContact CG-CD2 4.47Å; P435-F438 PolarHBondContact O-N 3.17Å; K436-F438 VanDerWaalsContact C-N 3.28Å; K436-F438 PolarHBondContact O-N 3.3Å; F438-L440 VanDerWaalsContact C-N 3.26Å; F438-L440 PolarHBondContact O-N 2.89Å; F438-F441 PolarHBondContact O-N 3.32Å | ||
| 439 | S | 55 | Low | 59.2 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -60.8 | -28.7 | -175 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | Y437 F441 R442 | Y437-S439 VanDerWaalsContact C-N 3.25Å; Y437-S439 PolarHBondContact O-N 3.01Å; S439-F441 PolarHBondContact O-N 3.28Å; S439-F441 VanDerWaalsContact O-N 3.13Å; S439-R442 WeakPolarHBondContact O-CA 3.25Å; S439-R442 WeakPolarHBondContact O-CB 3.35Å; S439-R442 PolarHBondContact O-N 3.36Å |
| 440 | L | 54.4 | Low | 57.6 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -55.4 | -28.1 | 175.9 | -102 | 154.6 | 0 | 0 | 0 | 113.5 | F438 | F438-L440 VanDerWaalsContact C-N 3.26Å; F438-L440 PolarHBondContact O-N 2.89Å |
| 441 | F | 55.4 | Low | 56.3 | Low | 60 Ų | 60 | 116.9 Ų | 116.9 | 26% | 0.263 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -92.1 | 4.1 | 175.8 | -76.4 | -81.3 | 0 | 0 | 0 | 113.6 | K314 V315 P427 M434 F438 S439 | K314-F441 PolarHBondContact NZ-O 3Å; V315-F441 HydrophobicContact CG2-CD2 3.94Å; V315-F441 HydrophobicContact CG2-CE2 3.98Å; P427-F441 HydrophobicContact CG-CE1 4.49Å; M434-F441 HydrophobicContact CE-CB 3.29Å; M434-F441 HydrophobicContact CE-CD2 3.95Å; M434-F441 HydrophobicContact CE-CG 3.84Å; M434-F441 HydrophobicContact SD-CB 3.92Å; F438-F441 PolarHBondContact O-N 3.32Å; S439-F441 PolarHBondContact O-N 3.28Å; S439-F441 VanDerWaalsContact O-N 3.13Å |
| 442 | R | 53.5 | Low | 54.9 | Low | 83 Ų | 83 | 123.1 Ų | 123.1 | 31% | 0.313 | 59% | 0.588 | S | S | . | * | trans | -99.3 | 48.2 | 170.4 | -62.8 | -175.7 | 179 | -170.5 | -2.3 | 110.6 | M434 S439 Y444 R445 | M434-R442 PolarHBondContact O-NH2 2.92Å; S439-R442 WeakPolarHBondContact O-CA 3.25Å; S439-R442 WeakPolarHBondContact O-CB 3.35Å; S439-R442 PolarHBondContact O-N 3.36Å; R442-Y444 PolarHBondContact O-N 3.2Å; R442-R445 PolarHBondContact O-N 2.82Å | ||
| 443 | L | 51.4 | Low | 53.8 | Low | 134 Ų | 134 | 121.9 Ų | 121.9 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -10.4 | 178 | -75.5 | 166.8 | 0 | 0 | 0 | 114.1 | ||
| 444 | Y | 46.8 | Very low | 52.5 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 46% | 0.459 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | 1.4 | -172.9 | -152.1 | -101.4 | 0 | 0 | 0 | 116.2 | R442 Q446 | R442-Y444 PolarHBondContact O-N 3.2Å; Y444-Q446 VanDerWaalsContact C-N 3.34Å; Y444-Q446 PolarHBondContact O-N 2.75Å |
| 445 | R | 41.8 | Very low | 51 | Low | 202 Ų | 202 | 130.9 Ų | 130.9 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -84.1 | -0.3 | -177.8 | -134 | -174.2 | -161.1 | -166.4 | 2.5 | 115.3 | R442 | R442-R445 PolarHBondContact O-N 2.82Š|
| 446 | Q | 37.7 | Very low | 49.7 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -112.4 | 3.3 | -170.4 | -86.4 | -172.7 | -20.9 | 0 | 0 | 117.4 | Y444 | Y444-Q446 VanDerWaalsContact C-N 3.34Å; Y444-Q446 PolarHBondContact O-N 2.75Å |
| 447 | S | 39.1 | Very low | 48.6 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -110.9 | -7.5 | 178.9 | 69.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 448 | H | 32 | Very low | 47.2 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 78% | 0.778 | 63% | 0.634 | S | S | * | * | trans | -136.4 | 71.6 | 177.1 | -71.8 | -23.2 | 0 | 0 | 0 | 112 | ||||
| 449 | S | 37.8 | Very low | 45.9 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 100% | 1.217 | 66% | 0.658 | S | S | * | * | trans | -132.6 | 0 | 145.6 | 60.1 | 0 | 0 | 0 | 0 | 105.9 |
Retrieved 449 of 449 residues in 197.9 ms
(Link to these results)