| 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 | V | 87.6 | Confident | 89.9 | Confident | 63 Ų | 63 | 98.5 Ų | 98.5 | 38% | 0.382 | 50% | 0.497 | S | S | . | . | 0 | -64.5 | 0 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | T3 A4 I5 I19 A23 P270 Y273 | V1-T3 PolarHBondContact O-N 3.19Å; V1-A4 WeakPolarHBondContact O-CB 3.36Å; V1-A4 PolarHBondContact O-N 2.95Å; V1-A4 VanDerWaalsContact O-N 3.08Å; V1-I5 HydrophobicContact CG1-CD1 3.95Å; V1-I5 PolarHBondContact O-N 3.48Å; V1-I19 HydrophobicContact CG1-CG2 3.97Å; V1-A23 HydrophobicContact CB-CB 4.14Å; V1-A23 HydrophobicContact CG1-CB 3.99Å; V1-P270 HydrophobicContact CG2-CB 4.07Å; V1-P270 HydrophobicContact CG2-CG 4.26Å; V1-Y273 HydrophobicContact CB-CD2 4.47Å; V1-Y273 HydrophobicContact CG1-CD2 3.99Å; V1-Y273 HydrophobicContact CG1-CE2 4.16Å; V1-Y273 HydrophobicContact CG2-CD2 3.61Å; V1-Y273 HydrophobicContact CG2-CE2 4.11Å | |||
| 2 | I | 91.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 94.8 Ų | 94.8 | 28% | 0.282 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -51.9 | -52.8 | -176.8 | -60.7 | 164.4 | 0 | 0 | 0 | 112.2 | A4 I5 A6 T20 A23 L27 | I2-A4 VanDerWaalsContact C-N 3.28Å; I2-A4 PolarHBondContact O-N 3.3Å; I2-I5 PolarHBondContact O-N 3.03Å; I2-A6 PolarHBondContact O-N 2.73Å; I2-T20 HydrophobicContact CG1-CG2 4.34Å; I2-T20 HydrophobicContact CG2-CG2 4.33Å; I2-A23 HydrophobicContact CD1-CB 4.31Å; I2-A23 HydrophobicContact CG1-CB 3.84Å; I2-L27 HydrophobicContact CD1-CD2 3.99Å |
| 3 | T | 91.8 | Very high | 89.7 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.9 | -36.6 | 179.9 | -44.5 | 0 | 0 | 0 | 0 | 113.2 | V1 K7 | V1-T3 PolarHBondContact O-N 3.19Å; T3-K7 VanDerWaalsContact O-CB 3.24Å; T3-K7 WeakPolarHBondContact O-CB 3.47Å; T3-K7 PolarHBondContact O-N 3.46Å |
| 4 | A | 91.7 | Very high | 89.6 | Confident | 38 Ų | 38 | 86.8 Ų | 86.8 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1 I2 A6 K7 F8 L11 | V1-A4 WeakPolarHBondContact O-CB 3.36Å; V1-A4 PolarHBondContact O-N 2.95Å; V1-A4 VanDerWaalsContact O-N 3.08Å; I2-A4 VanDerWaalsContact C-N 3.28Å; I2-A4 PolarHBondContact O-N 3.3Å; A4-A6 VanDerWaalsContact C-N 3.34Å; A4-A6 PolarHBondContact O-N 3.34Å; A4-K7 PolarHBondContact O-N 2.86Å; A4-F8 HydrophobicContact CB-CD2 4.37Å; A4-F8 WeakPolarHBondContact O-CB 3.12Å; A4-F8 VanDerWaalsContact O-CD2 3.24Å; A4-F8 WeakPolarHBondContact O-CD2 3.45Å; A4-F8 PolarHBondContact O-N 3.21Å; A4-L11 HydrophobicContact CB-CD1 4.38Å |
| 5 | I | 90.8 | Very high | 89.4 | Confident | 17 Ų | 17 | 82.1 Ų | 82.1 | 9% | 0.087 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 178.7 | -61.2 | 169.3 | 0 | 0 | 0 | 110.8 | V1 I2 Q12 N16 I19 T20 | V1-I5 HydrophobicContact CG1-CD1 3.95Å; V1-I5 PolarHBondContact O-N 3.48Å; I2-I5 PolarHBondContact O-N 3.03Å; I5-Q12 WeakPolarHBondContact O-CG 3.44Å; I5-N16 HydrophobicContact CD1-CB 4.19Å; I5-N16 HydrophobicContact CG1-CB 4.46Å; I5-N16 HydrophobicContact CG2-CB 4.16Å; I5-I19 HydrophobicContact CD1-CG2 4.12Å; I5-T20 VanDerWaalsContact CD1-OG1 3.31Å; I5-T20 WeakPolarHBondContact CD1-OG1 3.48Å |
| 6 | A | 89.7 | Confident | 89.6 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 55% | 0.554 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2 A4 Q12 | I2-A6 PolarHBondContact O-N 2.73Å; A4-A6 VanDerWaalsContact C-N 3.34Å; A4-A6 PolarHBondContact O-N 3.34Å; A6-Q12 PolarHBondContact O-NE2 3.47Å |
| 7 | K | 91.8 | Very high | 89.8 | Confident | 164 Ų | 164 | 77.1 Ų | 77.1 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -83.4 | -31.6 | -172.1 | -167 | 171.4 | -177.7 | 175.4 | 0 | 114.2 | T3 A4 | T3-K7 VanDerWaalsContact O-CB 3.24Å; T3-K7 WeakPolarHBondContact O-CB 3.47Å; T3-K7 PolarHBondContact O-N 3.46Å; A4-K7 PolarHBondContact O-N 2.86Å |
| 8 | F | 92.6 | Very high | 90 | Very high | 119 Ų | 119 | 73 Ų | 73 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | trans | -104 | 106.9 | -175.9 | -63.9 | -72.1 | 0 | 0 | 0 | 111.6 | A4 R10 L11 | A4-F8 HydrophobicContact CB-CD2 4.37Å; A4-F8 WeakPolarHBondContact O-CB 3.12Å; A4-F8 VanDerWaalsContact O-CD2 3.24Å; A4-F8 WeakPolarHBondContact O-CD2 3.45Å; A4-F8 PolarHBondContact O-N 3.21Å; F8-R10 PolarHBondContact O-N 3.31Å; F8-R10 VanDerWaalsContact O-N 3.12Å; F8-L11 HydrophobicContact CB-CB 4.43Å; F8-L11 HydrophobicContact CB-CD1 4.03Å; F8-L11 HydrophobicContact CB-CG 4.08Å; F8-L11 HydrophobicContact CD2-CD1 4.32Å; F8-L11 WeakPolarHBondContact O-CA 3.38Å; F8-L11 WeakPolarHBondContact O-CB 3.42Å; F8-L11 PolarHBondContact O-N 3.27Å | ||
| 9 | E | 86.3 | Confident | 90.2 | Very high | 163 Ų | 163 | 69.9 Ų | 69.9 | 76% | 0.762 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -54.6 | -34.6 | 179.7 | -66.8 | -173 | 168 | 0 | 0 | 113.5 | L11 Q12 | E9-L11 PolarHBondContact O-N 3.46Å; E9-L11 VanDerWaalsContact O-N 3.14Å; E9-Q12 WeakPolarHBondContact O-CB 3.3Å; E9-Q12 PolarHBondContact O-N 3.27Å |
| 10 | R | 87.5 | Confident | 90.4 | Very high | 222 Ų | 222 | 68 Ų | 68 | 84% | 0.838 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -59 | -25.6 | 175.9 | -169.8 | 179.5 | -177.4 | -174.3 | 4.6 | 113.1 | F8 | F8-R10 PolarHBondContact O-N 3.31Å; F8-R10 VanDerWaalsContact O-N 3.12Å |
| 11 | L | 87.6 | Confident | 90.7 | Very high | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -92.4 | -2.7 | 177.6 | -60.8 | 179.8 | 0 | 0 | 0 | 112.8 | A4 F8 E9 T13 N16 | A4-L11 HydrophobicContact CB-CD1 4.38Å; F8-L11 HydrophobicContact CB-CB 4.43Å; F8-L11 HydrophobicContact CB-CD1 4.03Å; F8-L11 HydrophobicContact CB-CG 4.08Å; F8-L11 HydrophobicContact CD2-CD1 4.32Å; F8-L11 WeakPolarHBondContact O-CA 3.38Å; F8-L11 WeakPolarHBondContact O-CB 3.42Å; F8-L11 PolarHBondContact O-N 3.27Å; E9-L11 PolarHBondContact O-N 3.46Å; E9-L11 VanDerWaalsContact O-N 3.14Å; L11-T13 PolarHBondContact O-N 2.88Å; L11-N16 WeakPolarHBondContact O-CB 3.5Å; L11-N16 PolarHBondContact O-ND2 2.88Å |
| 12 | Q | 88.9 | Confident | 91 | Very high | 55 Ų | 55 | 62 Ų | 62 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | trans | -82.8 | 58.4 | -178.6 | -63.4 | 179.1 | -4.8 | 0 | 0 | 112.4 | I5 A6 E9 K94 | I5-Q12 WeakPolarHBondContact O-CG 3.44Å; A6-Q12 PolarHBondContact O-NE2 3.47Å; E9-Q12 WeakPolarHBondContact O-CB 3.3Å; E9-Q12 PolarHBondContact O-N 3.27Å; Q12-K94 WeakPolarHBondContact O-CE 3.34Å; Q12-K94 PolarHBondContact O-NZ 3.21Å; Q12-K94 VanDerWaalsContact O-NZ 3.16Å | ||
| 13 | T | 88.1 | Confident | 91.2 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | trans | -94.6 | 158 | 174.8 | 69.1 | 0 | 0 | 0 | 0 | 111 | L11 T15 N16 Y17 | L11-T13 PolarHBondContact O-N 2.88Å; T13-T15 VanDerWaalsContact C-N 3.31Å; T13-T15 PolarHBondContact O-N 3.03Å; T13-N16 PolarHBondContact O-N 3.45Å; T13-N16 WeakPolarHBondContact OG1-CB 3.49Å; T13-N16 VanDerWaalsContact OG1-CG 3.23Å; T13-N16 PolarHBondContact OG1-N 3.32Å; T13-N16 PolarHBondContact OG1-ND2 2.98Å; T13-Y17 WeakPolarHBondContact O-CD2 3.37Å; T13-Y17 PolarHBondContact O-N 2.64Å; T13-Y17 VanDerWaalsContact O-N 3.1Å | ||
| 14 | V | 88.4 | Confident | 91.4 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.4 | -45.7 | 179.3 | 172.3 | 0 | 0 | 0 | 0 | 112 | N16 Y17 F18 L92 A97 | V14-N16 VanDerWaalsContact C-N 3.27Å; V14-N16 PolarHBondContact O-N 3.33Å; V14-Y17 WeakPolarHBondContact O-CB 3.27Å; V14-Y17 PolarHBondContact O-N 3.44Å; V14-Y17 VanDerWaalsContact O-N 3.11Å; V14-F18 HydrophobicContact CG1-CD2 4.39Å; V14-F18 HydrophobicContact CG1-CE2 3.75Å; V14-F18 HydrophobicContact CG1-CZ 4.46Å; V14-F18 WeakPolarHBondContact O-CD2 3.38Å; V14-F18 PolarHBondContact O-N 3.04Å; V14-L92 HydrophobicContact CG1-CD2 3.95Å; V14-A97 HydrophobicContact CG1-CB 3.87Å |
| 15 | T | 87.4 | Confident | 91.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -38.6 | 176 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | T13 Y17 F18 I19 D77 R78 L222 | T13-T15 VanDerWaalsContact C-N 3.31Å; T13-T15 PolarHBondContact O-N 3.03Å; T15-Y17 VanDerWaalsContact C-N 3.32Å; T15-Y17 PolarHBondContact O-N 3.09Å; T15-F18 PolarHBondContact O-N 2.92Å; T15-F18 VanDerWaalsContact O-N 3.16Å; T15-I19 HydrophobicContact CG2-CD1 4.37Å; T15-I19 WeakPolarHBondContact O-CG1 3.49Å; T15-I19 PolarHBondContact O-N 3.18Å; T15-D77 PolarHBondContact OG1-OD2 2.94Å; T15-R78 PolarHBondContact OG1-NE 3.39Å; T15-R78 PolarHBondContact OG1-NH2 2.9Å; T15-L222 HydrophobicContact CG2-CD1 4.35Å |
| 16 | N | 91.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.1 | -23 | 179.6 | -69.3 | -6.4 | 0 | 0 | 0 | 112.9 | I5 L11 T13 V14 I19 T20 | I5-N16 HydrophobicContact CD1-CB 4.19Å; I5-N16 HydrophobicContact CG1-CB 4.46Å; I5-N16 HydrophobicContact CG2-CB 4.16Å; L11-N16 WeakPolarHBondContact O-CB 3.5Å; L11-N16 PolarHBondContact O-ND2 2.88Å; T13-N16 PolarHBondContact O-N 3.45Å; T13-N16 WeakPolarHBondContact OG1-CB 3.49Å; T13-N16 VanDerWaalsContact OG1-CG 3.23Å; T13-N16 PolarHBondContact OG1-N 3.32Å; T13-N16 PolarHBondContact OG1-ND2 2.98Å; V14-N16 VanDerWaalsContact C-N 3.27Å; V14-N16 PolarHBondContact O-N 3.33Å; N16-I19 PolarHBondContact O-N 3.02Å; N16-T20 WeakPolarHBondContact O-CB 3.46Å; N16-T20 PolarHBondContact O-N 3.4Å; N16-T20 PolarHBondContact O-OG1 2.86Å |
| 17 | Y | 93.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 167.2 | -85.9 | -93.6 | 0 | 0 | 0 | 111 | T13 V14 T15 T20 S21 K94 R98 I101 | T13-Y17 WeakPolarHBondContact O-CD2 3.37Å; T13-Y17 PolarHBondContact O-N 2.64Å; T13-Y17 VanDerWaalsContact O-N 3.1Å; V14-Y17 WeakPolarHBondContact O-CB 3.27Å; V14-Y17 PolarHBondContact O-N 3.44Å; V14-Y17 VanDerWaalsContact O-N 3.11Å; T15-Y17 VanDerWaalsContact C-N 3.32Å; T15-Y17 PolarHBondContact O-N 3.09Å; Y17-T20 WeakPolarHBondContact O-CB 3.48Å; Y17-T20 PolarHBondContact O-N 3.15Å; Y17-S21 PolarHBondContact O-N 3.01Å; Y17-K94 HydrophobicContact CE2-CD 4.27Å; Y17-K94 HydrophobicContact CE2-CG 4.42Å; Y17-R98 HydrophobicContact CD1-CG 4.29Å; Y17-R98 HydrophobicContact CE1-CG 4.27Å; Y17-R98 PolarHBondContact OH-NH2 3Å; Y17-I101 WeakPolarHBondContact O-CD1 3.49Å |
| 18 | F | 94.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 174.3 | -61.2 | -57.2 | 0 | 0 | 0 | 112.4 | V14 T15 T20 S21 L22 T70 V73 I74 D77 A97 V100 I101 | V14-F18 HydrophobicContact CG1-CD2 4.39Å; V14-F18 HydrophobicContact CG1-CE2 3.75Å; V14-F18 HydrophobicContact CG1-CZ 4.46Å; V14-F18 WeakPolarHBondContact O-CD2 3.38Å; V14-F18 PolarHBondContact O-N 3.04Å; T15-F18 PolarHBondContact O-N 2.92Å; T15-F18 VanDerWaalsContact O-N 3.16Å; F18-T20 PolarHBondContact O-N 3.49Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.42Å; F18-S21 PolarHBondContact O-N 3.46Å; F18-S21 VanDerWaalsContact O-N 3.1Å; F18-L22 PolarHBondContact O-N 3.04Å; F18-T70 HydrophobicContact CB-CG2 4.2Å; F18-T70 VanDerWaalsContact O-CG2 3.28Å; F18-T70 WeakPolarHBondContact O-CG2 3.11Å; F18-V73 HydrophobicContact CD1-CG1 3.87Å; F18-V73 HydrophobicContact CD2-CG1 4.46Å; F18-V73 HydrophobicContact CE1-CG1 3.42Å; F18-V73 VanDerWaalsContact CE1-CG1 3.42Å; F18-V73 HydrophobicContact CE2-CG1 4.06Å; F18-V73 HydrophobicContact CG-CG1 4.38Å; F18-V73 HydrophobicContact CZ-CG1 3.53Å; F18-I74 HydrophobicContact CB-CD1 3.83Å; F18-I74 HydrophobicContact CB-CG1 3.47Å; F18-I74 VanDerWaalsContact CB-CG1 3.47Å; F18-I74 HydrophobicContact CD2-CG1 4.36Å; F18-I74 HydrophobicContact CG-CG1 4.13Å; F18-D77 HydrophobicContact CE2-CB 4.2Å; F18-A97 HydrophobicContact CZ-CB 4.14Å; F18-V100 HydrophobicContact CE1-CB 4.28Å; F18-V100 HydrophobicContact CE1-CG1 3.97Å; F18-V100 HydrophobicContact CZ-CG1 4.35Å; F18-I101 HydrophobicContact CD1-CD1 3.97Å; F18-I101 HydrophobicContact CD1-CG1 3.62Å; F18-I101 HydrophobicContact CE1-CD1 4.28Å; F18-I101 HydrophobicContact CE1-CG1 3.78Å |
| 19 | I | 92.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -35.1 | 171.8 | -68.4 | 171.9 | 0 | 0 | 0 | 111.1 | V1 I5 T15 N16 L22 A23 L222 Y273 | V1-I19 HydrophobicContact CG1-CG2 3.97Å; I5-I19 HydrophobicContact CD1-CG2 4.12Å; T15-I19 HydrophobicContact CG2-CD1 4.37Å; T15-I19 WeakPolarHBondContact O-CG1 3.49Å; T15-I19 PolarHBondContact O-N 3.18Å; N16-I19 PolarHBondContact O-N 3.02Å; I19-L22 PolarHBondContact O-N 2.91Å; I19-A23 WeakPolarHBondContact O-CB 3.35Å; I19-A23 PolarHBondContact O-N 3.23Å; I19-L222 HydrophobicContact CD1-CD2 4.45Å; I19-Y273 HydrophobicContact CB-CE1 4.45Å; I19-Y273 HydrophobicContact CD1-CD1 4.4Å; I19-Y273 HydrophobicContact CD1-CE1 4.09Å; I19-Y273 HydrophobicContact CG1-CE1 4.09Å; I19-Y273 HydrophobicContact CG2-CD1 4.13Å; I19-Y273 HydrophobicContact CG2-CD2 4.41Å; I19-Y273 HydrophobicContact CG2-CE1 3.58Å; I19-Y273 HydrophobicContact CG2-CE2 3.95Å |
| 20 | T | 94.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 111 | I2 I5 N16 Y17 F18 L22 A23 C24 | I2-T20 HydrophobicContact CG1-CG2 4.34Å; I2-T20 HydrophobicContact CG2-CG2 4.33Å; I5-T20 VanDerWaalsContact CD1-OG1 3.31Å; I5-T20 WeakPolarHBondContact CD1-OG1 3.48Å; N16-T20 WeakPolarHBondContact O-CB 3.46Å; N16-T20 PolarHBondContact O-N 3.4Å; N16-T20 PolarHBondContact O-OG1 2.86Å; Y17-T20 WeakPolarHBondContact O-CB 3.48Å; Y17-T20 PolarHBondContact O-N 3.15Å; F18-T20 PolarHBondContact O-N 3.49Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.18Å; T20-A23 PolarHBondContact O-N 3.04Å; T20-C24 PolarHBondContact O-N 3.04Å; T20-C24 PolarHBondContact O-SG 3.33Å |
| 21 | S | 95.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -47.7 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | Y17 F18 C24 A25 T70 W105 | Y17-S21 PolarHBondContact O-N 3.01Å; F18-S21 VanDerWaalsContact O-CB 3.31Å; F18-S21 WeakPolarHBondContact O-CB 3.42Å; F18-S21 PolarHBondContact O-N 3.46Å; F18-S21 VanDerWaalsContact O-N 3.1Å; S21-C24 WeakPolarHBondContact O-CB 3.48Å; S21-C24 PolarHBondContact O-N 3.19Å; S21-A25 PolarHBondContact O-N 3.36Å; S21-A25 VanDerWaalsContact O-N 3.11Å; S21-T70 PolarHBondContact OG-OG1 3.35Å; S21-W105 PolarHBondContact OG-NE1 3.47Å |
| 22 | L | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 177.2 | -175 | 58.5 | 0 | 0 | 0 | 111.7 | F18 I19 T20 C24 A25 D26 T70 L71 I225 Y273 | F18-L22 PolarHBondContact O-N 3.04Å; I19-L22 PolarHBondContact O-N 2.91Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 3.18Å; L22-C24 VanDerWaalsContact C-N 3.26Å; L22-C24 PolarHBondContact O-N 3.33Å; L22-A25 PolarHBondContact O-N 2.98Å; L22-A25 VanDerWaalsContact O-N 3.13Å; L22-D26 PolarHBondContact O-N 3.39Å; L22-T70 HydrophobicContact CB-CG2 4.08Å; L22-L71 HydrophobicContact CD2-CD2 3.71Å; L22-L71 HydrophobicContact CD2-CG 4.27Å; L22-I225 HydrophobicContact CD2-CG2 4.21Å; L22-Y273 WeakPolarHBondContact CD2-OH 3.18Å |
| 23 | A | 95.1 | Very high | 94 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -29.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1 I2 I19 T20 L27 | V1-A23 HydrophobicContact CB-CB 4.14Å; V1-A23 HydrophobicContact CG1-CB 3.99Å; I2-A23 HydrophobicContact CD1-CB 4.31Å; I2-A23 HydrophobicContact CG1-CB 3.84Å; I19-A23 WeakPolarHBondContact O-CB 3.35Å; I19-A23 PolarHBondContact O-N 3.23Å; T20-A23 PolarHBondContact O-N 3.04Å; A23-L27 VanDerWaalsContact O-CB 3.27Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 PolarHBondContact O-N 3.39Å |
| 24 | C | 96.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 30% | 0.297 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.9 | -43.4 | 172.4 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | T20 S21 L22 L27 V28 W105 | T20-C24 PolarHBondContact O-N 3.04Å; T20-C24 PolarHBondContact O-SG 3.33Å; S21-C24 WeakPolarHBondContact O-CB 3.48Å; S21-C24 PolarHBondContact O-N 3.19Å; L22-C24 VanDerWaalsContact C-N 3.26Å; L22-C24 PolarHBondContact O-N 3.33Å; C24-L27 PolarHBondContact O-N 3.49Å; C24-V28 WeakPolarHBondContact O-CG2 3.33Å; C24-V28 PolarHBondContact O-N 3.48Å; C24-W105 HydrophobicContact CB-CH2 4.42Å; C24-W105 HydrophobicContact CB-CZ2 4Å |
| 25 | A | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S21 L22 L27 V28 M29 S67 W105 | S21-A25 PolarHBondContact O-N 3.36Å; S21-A25 VanDerWaalsContact O-N 3.11Å; L22-A25 PolarHBondContact O-N 2.98Å; L22-A25 VanDerWaalsContact O-N 3.13Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.34Å; A25-V28 PolarHBondContact O-N 3.25Å; A25-M29 WeakPolarHBondContact O-CG 3.5Å; A25-M29 PolarHBondContact O-N 3.04Å; A25-S67 WeakPolarHBondContact CB-OG 3.37Å; A25-W105 HydrophobicContact CB-CH2 4.21Å; A25-W105 HydrophobicContact CB-CZ2 4.26Å |
| 26 | D | 95.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 175.9 | -67.7 | -34.9 | 0 | 0 | 0 | 113 | L22 M29 G30 S266 N269 | L22-D26 PolarHBondContact O-N 3.39Å; D26-M29 WeakPolarHBondContact O-CB 3.29Å; D26-M29 PolarHBondContact O-N 3.16Å; D26-G30 PolarHBondContact O-N 3.4Å; D26-S266 VanDerWaalsContact OD1-CA 3.29Å; D26-S266 WeakPolarHBondContact OD1-CA 3.48Å; D26-S266 WeakPolarHBondContact OD1-CB 3.37Å; D26-S266 PolarHBondContact OD1-OG 3.45Å; D26-N269 PolarHBondContact OD1-ND2 3.4Å; D26-N269 WeakPolarHBondContact OD2-CB 3.3Å; D26-N269 PolarHBondContact OD2-ND2 3.1Å |
| 27 | L | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 47% | 0.466 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.5 | -178.5 | 63.7 | 0 | 0 | 0 | 111.3 | I2 A23 C24 A25 M29 G30 L31 | I2-L27 HydrophobicContact CD1-CD2 3.99Å; A23-L27 VanDerWaalsContact O-CB 3.27Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 PolarHBondContact O-N 3.39Å; C24-L27 PolarHBondContact O-N 3.49Å; A25-L27 VanDerWaalsContact C-N 3.33Å; A25-L27 PolarHBondContact O-N 3.34Å; L27-M29 VanDerWaalsContact C-N 3.34Å; L27-G30 PolarHBondContact O-N 2.91Å; L27-L31 HydrophobicContact CD1-CD1 3.84Å; L27-L31 HydrophobicContact CD1-CG 4.15Å; L27-L31 HydrophobicContact CG-CD1 3.92Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 3.01Å |
| 28 | V | 96.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | C24 A25 G30 L31 A32 I59 C63 | C24-V28 WeakPolarHBondContact O-CG2 3.33Å; C24-V28 PolarHBondContact O-N 3.48Å; A25-V28 PolarHBondContact O-N 3.25Å; V28-G30 PolarHBondContact O-N 3.33Å; V28-L31 PolarHBondContact O-N 2.93Å; V28-A32 HydrophobicContact CG1-CB 4.3Å; V28-A32 WeakPolarHBondContact O-CB 3.5Å; V28-A32 PolarHBondContact O-N 2.97Å; V28-I59 HydrophobicContact CG1-CG2 3.51Å; V28-C63 WeakPolarHBondContact CG1-SG 3.49Å |
| 29 | M | 95.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -55.1 | -50.5 | 171.8 | -72.6 | -71 | -80.2 | 0 | 0 | 111.8 | A25 D26 L27 L31 V33 V34 C63 V64 W233 Y263 | A25-M29 WeakPolarHBondContact O-CG 3.5Å; A25-M29 PolarHBondContact O-N 3.04Å; D26-M29 WeakPolarHBondContact O-CB 3.29Å; D26-M29 PolarHBondContact O-N 3.16Å; L27-M29 VanDerWaalsContact C-N 3.34Å; M29-L31 VanDerWaalsContact C-N 3.33Å; M29-L31 PolarHBondContact O-N 3.49Å; M29-V33 HydrophobicContact CE-CG1 4.47Å; M29-V33 WeakPolarHBondContact O-CB 3.26Å; M29-V33 PolarHBondContact O-N 2.93Å; M29-V33 VanDerWaalsContact O-N 3.08Å; M29-V33 HydrophobicContact SD-CB 4.04Å; M29-V33 HydrophobicContact SD-CG1 4.22Å; M29-V33 HydrophobicContact SD-CG2 3.81Å; M29-V34 WeakPolarHBondContact O-CG2 3.36Å; M29-V34 PolarHBondContact O-N 3.3Å; M29-C63 HydrophobicContact CG-CB 3.36Å; M29-C63 HydrophobicContact SD-CB 3.28Å; M29-C63 WeakPolarHBondContact SD-CB 3.33Å; M29-V64 HydrophobicContact CE-CG2 4.27Å; M29-W233 HydrophobicContact CE-CH2 4.32Å; M29-W233 HydrophobicContact CE-CZ2 4.07Å; M29-Y263 HydrophobicContact CE-CD1 3.28Å; M29-Y263 HydrophobicContact CE-CE1 3.63Å; M29-Y263 HydrophobicContact CE-CG 4.25Å |
| 30 | G | 94.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -67 | -28.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D26 L27 V28 P35 | D26-G30 PolarHBondContact O-N 3.4Å; L27-G30 PolarHBondContact O-N 2.91Å; V28-G30 PolarHBondContact O-N 3.33Å; G30-P35 VanDerWaalsContact O-CD 3.24Å; G30-P35 WeakPolarHBondContact O-CD 3.49Å; G30-P35 VanDerWaalsContact O-CG 3.26Å; G30-P35 WeakPolarHBondContact O-CG 3.48Å |
| 31 | L | 95.4 | Very high | 95.5 | Very high | 120 Ų | 120 | 33.3 Ų | 33.3 | 63% | 0.628 | 20% | 0.203 | S | C | * | . | I | π-helix | trans | -95.5 | -41.7 | -178.3 | -67.4 | 176.5 | 0 | 0 | 0 | 113.4 | L27 V28 M29 | L27-L31 HydrophobicContact CD1-CD1 3.84Å; L27-L31 HydrophobicContact CD1-CG 4.15Å; L27-L31 HydrophobicContact CG-CD1 3.92Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.27Å; L27-L31 PolarHBondContact O-N 3.01Å; V28-L31 PolarHBondContact O-N 2.93Å; M29-L31 VanDerWaalsContact C-N 3.33Å; M29-L31 PolarHBondContact O-N 3.49Å |
| 32 | A | 95.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 40 Ų | 40 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -108.1 | -20.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V28 F36 W56 I59 | V28-A32 HydrophobicContact CG1-CB 4.3Å; V28-A32 WeakPolarHBondContact O-CB 3.5Å; V28-A32 PolarHBondContact O-N 2.97Å; A32-F36 WeakPolarHBondContact O-CD2 3.42Å; A32-W56 VanDerWaalsContact O-CD1 3.32Å; A32-I59 HydrophobicContact CB-CD1 4.3Å; A32-I59 HydrophobicContact CB-CG2 4.18Å |
| 33 | V | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -106.2 | -59.6 | -176.3 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | M29 F36 G37 W56 I59 D60 Y263 | M29-V33 HydrophobicContact CE-CG1 4.47Å; M29-V33 WeakPolarHBondContact O-CB 3.26Å; M29-V33 PolarHBondContact O-N 2.93Å; M29-V33 VanDerWaalsContact O-N 3.08Å; M29-V33 HydrophobicContact SD-CB 4.04Å; M29-V33 HydrophobicContact SD-CG1 4.22Å; M29-V33 HydrophobicContact SD-CG2 3.81Å; V33-F36 PolarHBondContact O-N 3.15Å; V33-G37 PolarHBondContact O-N 3.46Å; V33-W56 PolarHBondContact O-NE1 3.15Å; V33-I59 HydrophobicContact CG2-CB 4.35Å; V33-I59 HydrophobicContact CG2-CG2 3.64Å; V33-D60 HydrophobicContact CG1-CB 3.83Å; V33-D60 HydrophobicContact CG2-CB 4.17Å; V33-Y263 HydrophobicContact CG1-CE1 4.11Å; V33-Y263 HydrophobicContact CG1-CE2 4.43Å |
| 34 | V | 96.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | -172.7 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | M29 F36 G37 A38 W260 Y263 | M29-V34 WeakPolarHBondContact O-CG2 3.36Å; M29-V34 PolarHBondContact O-N 3.3Å; V34-F36 PolarHBondContact O-N 3.21Å; V34-G37 PolarHBondContact O-N 3.11Å; V34-A38 WeakPolarHBondContact O-CB 3.32Å; V34-A38 PolarHBondContact O-N 3.38Å; V34-W260 HydrophobicContact CG1-CH2 4.17Å; V34-W260 HydrophobicContact CG1-CZ3 4.03Å; V34-Y263 HydrophobicContact CG2-CD2 4.28Å; V34-Y263 HydrophobicContact CG2-CG 4.23Å |
| 35 | P | 96.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | -178.3 | -24.6 | 37 | 0 | 0 | 0 | 113 | G30 A38 S39 | G30-P35 VanDerWaalsContact O-CD 3.24Å; G30-P35 WeakPolarHBondContact O-CD 3.49Å; G30-P35 VanDerWaalsContact O-CG 3.26Å; G30-P35 WeakPolarHBondContact O-CG 3.48Å; P35-A38 WeakPolarHBondContact O-CB 3.37Å; P35-A38 PolarHBondContact O-N 2.99Å; P35-S39 PolarHBondContact O-N 2.99Å |
| 36 | F | 96.2 | Very high | 95.1 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73 | -39 | 178.6 | -65.6 | -85.1 | 0 | 0 | 0 | 111.6 | A32 V33 V34 A38 S39 H40 W46 F48 W52 | A32-F36 WeakPolarHBondContact O-CD2 3.42Å; V33-F36 PolarHBondContact O-N 3.15Å; V34-F36 PolarHBondContact O-N 3.21Å; F36-A38 VanDerWaalsContact C-N 3.33Å; F36-A38 PolarHBondContact O-N 3.02Å; F36-S39 PolarHBondContact O-N 3.13Å; F36-H40 WeakPolarHBondContact O-CB 3.33Å; F36-H40 PolarHBondContact O-N 3.45Å; F36-W46 HydrophobicContact CB-CH2 4.14Å; F36-W46 HydrophobicContact CB-CZ3 4.35Å; F36-F48 HydrophobicContact CD1-CD1 4.13Å; F36-F48 HydrophobicContact CD1-CD2 4Å; F36-F48 AromaticContact CD1-CE1 3.87Å; F36-F48 HydrophobicContact CD1-CE1 3.87Å; F36-F48 AromaticContact CD1-CE2 3.75Å; F36-F48 HydrophobicContact CD1-CE2 3.75Å; F36-F48 HydrophobicContact CD1-CG 4.19Å; F36-F48 AromaticContact CD1-CZ 3.67Å; F36-F48 HydrophobicContact CD1-CZ 3.67Å; F36-F48 HydrophobicContact CE1-CD1 4.05Å; F36-F48 AromaticContact CE1-CE1 3.85Å; F36-F48 HydrophobicContact CE1-CE1 3.85Å; F36-F48 HydrophobicContact CE1-CG 4.47Å; F36-F48 HydrophobicContact CE1-CZ 4.11Å; F36-W52 AromaticContact CD1-CD1 3.9Å; F36-W52 AromaticContact CD1-NE1 3.2Å; F36-W52 HydrophobicContact CD2-CZ2 4.46Å; F36-W52 AromaticContact CE1-CE2 3.89Å; F36-W52 HydrophobicContact CE1-CZ2 4.19Å; F36-W52 AromaticContact CE1-NE1 3.15Å; F36-W52 AromaticContact CE2-CZ2 3.82Å; F36-W52 HydrophobicContact CE2-CZ2 3.82Å; F36-W52 AromaticContact CE2-NE1 3.97Å; F36-W52 AromaticContact CG-NE1 3.65Å; F36-W52 AromaticContact CZ-CE2 3.85Å; F36-W52 AromaticContact CZ-CZ2 3.66Å; F36-W52 HydrophobicContact CZ-CZ2 3.66Å; F36-W52 AromaticContact CZ-NE1 3.55Å |
| 37 | G | 94.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V33 V34 H40 I41 | V33-G37 PolarHBondContact O-N 3.46Å; V34-G37 PolarHBondContact O-N 3.11Å; G37-H40 PolarHBondContact O-N 3.29Å; G37-I41 WeakPolarHBondContact O-CG1 3.49Å; G37-I41 PolarHBondContact O-N 3.43Å; G37-I41 VanDerWaalsContact O-N 3.12Å |
| 38 | A | 95.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V34 P35 F36 H40 I41 L42 W260 | V34-A38 WeakPolarHBondContact O-CB 3.32Å; V34-A38 PolarHBondContact O-N 3.38Å; P35-A38 WeakPolarHBondContact O-CB 3.37Å; P35-A38 PolarHBondContact O-N 2.99Å; F36-A38 VanDerWaalsContact C-N 3.33Å; F36-A38 PolarHBondContact O-N 3.02Å; A38-H40 VanDerWaalsContact C-N 3.31Å; A38-H40 PolarHBondContact O-N 3.17Å; A38-I41 PolarHBondContact O-N 2.68Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.4Å; A38-W260 HydrophobicContact CB-CH2 3.75Å; A38-W260 HydrophobicContact CB-CZ2 4.34Å |
| 39 | S | 95.6 | Very high | 95 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 177.2 | -173 | 0 | 0 | 0 | 0 | 111.3 | P35 F36 I41 L42 M43 | P35-S39 PolarHBondContact O-N 2.99Å; F36-S39 PolarHBondContact O-N 3.13Å; S39-I41 VanDerWaalsContact C-N 3.33Å; S39-I41 PolarHBondContact O-N 3.42Å; S39-L42 PolarHBondContact O-N 2.93Å; S39-M43 VanDerWaalsContact O-CB 3.32Å; S39-M43 WeakPolarHBondContact O-CB 3.41Å; S39-M43 WeakPolarHBondContact O-CG 3.26Å; S39-M43 PolarHBondContact O-N 3.31Å |
| 40 | H | 94.3 | Very high | 95 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 178.1 | -178.9 | 51 | 0 | 0 | 0 | 112.7 | F36 G37 A38 K44 M45 W46 D139 | F36-H40 WeakPolarHBondContact O-CB 3.33Å; F36-H40 PolarHBondContact O-N 3.45Å; G37-H40 PolarHBondContact O-N 3.29Å; A38-H40 VanDerWaalsContact C-N 3.31Å; A38-H40 PolarHBondContact O-N 3.17Å; H40-K44 WeakPolarHBondContact O-CA 3.41Å; H40-K44 PolarHBondContact O-N 3.25Å; H40-M45 PolarHBondContact ND1-O 3.23Å; H40-M45 PolarHBondContact O-N 3.12Å; H40-W46 HydrophobicContact CB-CE3 3.97Å; H40-W46 HydrophobicContact CB-CZ3 4.24Å; H40-D139 IonicContact NE2-OD1 3.02Å |
| 41 | I | 93.3 | Very high | 95 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.2 | -45.5 | 178.4 | -68.8 | 174.8 | 0 | 0 | 0 | 111.7 | G37 A38 S39 K44 I256 W260 | G37-I41 WeakPolarHBondContact O-CG1 3.49Å; G37-I41 PolarHBondContact O-N 3.43Å; G37-I41 VanDerWaalsContact O-N 3.12Å; A38-I41 PolarHBondContact O-N 2.68Å; S39-I41 VanDerWaalsContact C-N 3.33Å; S39-I41 PolarHBondContact O-N 3.42Å; I41-K44 PolarHBondContact O-N 3.45Å; I41-I256 HydrophobicContact CD1-CG2 3.52Å; I41-I256 HydrophobicContact CG1-CG2 4.39Å; I41-W260 VanDerWaalsContact CD1-CE2 3.48Å; I41-W260 HydrophobicContact CD1-CZ2 3.64Å |
| 42 | L | 94.9 | Very high | 95.1 | Very high | 147 Ų | 147 | 62.1 Ų | 62.1 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | -177.5 | -70.3 | 172.6 | 0 | 0 | 0 | 111.8 | A38 S39 K44 | A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.4Å; S39-L42 PolarHBondContact O-N 2.93Å; L42-K44 VanDerWaalsContact C-N 3.34Å |
| 43 | M | 93.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 50% | 0.498 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -80.8 | -16.2 | 179.1 | -63 | -173.4 | 178.3 | 0 | 0 | 112.8 | S39 M45 N47 | S39-M43 VanDerWaalsContact O-CB 3.32Å; S39-M43 WeakPolarHBondContact O-CB 3.41Å; S39-M43 WeakPolarHBondContact O-CG 3.26Å; S39-M43 PolarHBondContact O-N 3.31Å; M43-M45 HydrophobicContact CB-CG 4.17Å; M43-M45 WeakPolarHBondContact O-CG 3.36Å; M43-M45 PolarHBondContact O-N 2.93Å; M43-M45 VanDerWaalsContact O-N 3.15Å; M43-N47 PolarHBondContact SD-ND2 2.93Å |
| 44 | K | 92.2 | Very high | 95.1 | Very high | 189 Ų | 189 | 63.1 Ų | 63.1 | 82% | 0.822 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 18.9 | -172.7 | -55.3 | -176.9 | 178 | -178.4 | 0 | 114.1 | H40 I41 L42 | H40-K44 WeakPolarHBondContact O-CA 3.41Å; H40-K44 PolarHBondContact O-N 3.25Å; I41-K44 PolarHBondContact O-N 3.45Å; L42-K44 VanDerWaalsContact C-N 3.34Å |
| 45 | M | 93.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -153.2 | 162.4 | 176.8 | 53.9 | 173.7 | 33.3 | 0 | 0 | 110 | H40 M43 N47 | H40-M45 PolarHBondContact ND1-O 3.23Å; H40-M45 PolarHBondContact O-N 3.12Å; M43-M45 HydrophobicContact CB-CG 4.17Å; M43-M45 WeakPolarHBondContact O-CG 3.36Å; M43-M45 PolarHBondContact O-N 2.93Å; M43-M45 VanDerWaalsContact O-N 3.15Å; M45-N47 WeakPolarHBondContact CG-OD1 3.48Å; M45-N47 PolarHBondContact SD-OD1 2.95Å |
| 46 | W | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -96.5 | 126.9 | 174.3 | -174.6 | -104.5 | 0 | 0 | 0 | 110 | F36 H40 F48 G49 W52 C53 W56 T136 C138 | F36-W46 HydrophobicContact CB-CH2 4.14Å; F36-W46 HydrophobicContact CB-CZ3 4.35Å; H40-W46 HydrophobicContact CB-CE3 3.97Å; H40-W46 HydrophobicContact CB-CZ3 4.24Å; W46-F48 AromaticContact CD2-CD2 3.89Å; W46-F48 HydrophobicContact CD2-CD2 3.89Å; W46-F48 AromaticContact CE2-CD2 3.77Å; W46-F48 HydrophobicContact CE3-CD2 4.01Å; W46-F48 AromaticContact CH2-CD2 3.91Å; W46-F48 HydrophobicContact CH2-CD2 3.91Å; W46-F48 HydrophobicContact CZ2-CB 3.86Å; W46-F48 AromaticContact CZ2-CD2 3.79Å; W46-F48 HydrophobicContact CZ2-CD2 3.79Å; W46-F48 HydrophobicContact CZ2-CG 4.24Å; W46-F48 HydrophobicContact CZ3-CD2 4.01Å; W46-F48 HydrophobicContact CZ3-CE2 4.44Å; W46-G49 PolarHBondContact NE1-O 3.23Å; W46-W52 HydrophobicContact CZ2-CB 4.36Å; W46-W52 AromaticContact CZ2-CD1 3.53Å; W46-W52 HydrophobicContact CZ2-CG 4.27Å; W46-C53 HydrophobicContact CZ2-CB 4.11Å; W46-W56 HydrophobicContact CH2-CB 3.95Å; W46-W56 AromaticContact CH2-CD2 3.82Å; W46-W56 HydrophobicContact CH2-CD2 3.82Å; W46-W56 HydrophobicContact CH2-CE3 4.09Å; W46-W56 AromaticContact CH2-CG 3.74Å; W46-W56 HydrophobicContact CH2-CG 3.74Å; W46-W56 HydrophobicContact CZ2-CB 4.3Å; W46-W56 HydrophobicContact CZ3-CD2 4.2Å; W46-W56 HydrophobicContact CZ3-CE3 4.3Å; W46-T136 WeakPolarHBondContact CB-O 3.33Å; W46-T136 PolarHBondContact N-O 2.73Å; W46-T136 WeakPolarHBondContact O-CA 3.34Å; W46-C138 HydrophobicContact CB-CB 3.71Å; W46-C138 HydrophobicContact CD2-CB 3.44Å; W46-C138 VanDerWaalsContact CD2-CB 3.44Å; W46-C138 HydrophobicContact CE3-CB 3.73Å; W46-C138 HydrophobicContact CG-CB 3.44Å; W46-C138 VanDerWaalsContact CG-CB 3.44Å; W46-C138 HydrophobicContact CZ3-CB 4.49Å | ||
| 47 | N | 94.4 | Very high | 95.2 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | trans | -113.2 | 7.9 | -175.8 | -72.1 | -0.9 | 0 | 0 | 0 | 113.6 | M43 M45 | M43-N47 PolarHBondContact SD-ND2 2.93Å; M45-N47 WeakPolarHBondContact CG-OD1 3.48Å; M45-N47 PolarHBondContact SD-OD1 2.95Å | ||
| 48 | F | 95.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -106.6 | 4 | -171.8 | -49.3 | -78.6 | 0 | 0 | 0 | 113.1 | F36 W46 W52 | F36-F48 HydrophobicContact CD1-CD1 4.13Å; F36-F48 HydrophobicContact CD1-CD2 4Å; F36-F48 AromaticContact CD1-CE1 3.87Å; F36-F48 HydrophobicContact CD1-CE1 3.87Å; F36-F48 AromaticContact CD1-CE2 3.75Å; F36-F48 HydrophobicContact CD1-CE2 3.75Å; F36-F48 HydrophobicContact CD1-CG 4.19Å; F36-F48 AromaticContact CD1-CZ 3.67Å; F36-F48 HydrophobicContact CD1-CZ 3.67Å; F36-F48 HydrophobicContact CE1-CD1 4.05Å; F36-F48 AromaticContact CE1-CE1 3.85Å; F36-F48 HydrophobicContact CE1-CE1 3.85Å; F36-F48 HydrophobicContact CE1-CG 4.47Å; F36-F48 HydrophobicContact CE1-CZ 4.11Å; W46-F48 AromaticContact CD2-CD2 3.89Å; W46-F48 HydrophobicContact CD2-CD2 3.89Å; W46-F48 AromaticContact CE2-CD2 3.77Å; W46-F48 HydrophobicContact CE3-CD2 4.01Å; W46-F48 AromaticContact CH2-CD2 3.91Å; W46-F48 HydrophobicContact CH2-CD2 3.91Å; W46-F48 HydrophobicContact CZ2-CB 3.86Å; W46-F48 AromaticContact CZ2-CD2 3.79Å; W46-F48 HydrophobicContact CZ2-CD2 3.79Å; W46-F48 HydrophobicContact CZ2-CG 4.24Å; W46-F48 HydrophobicContact CZ3-CD2 4.01Å; W46-F48 HydrophobicContact CZ3-CE2 4.44Å; F48-W52 HydrophobicContact CB-CB 3.83Å; F48-W52 VanDerWaalsContact CB-CD1 3.44Å; F48-W52 HydrophobicContact CB-CG 3.93Å; F48-W52 AromaticContact CG-CD1 3.85Å; F48-W52 VanDerWaalsContact O-CB 3.32Å; F48-W52 WeakPolarHBondContact O-CB 3.23Å |
| 49 | G | 95.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | 74 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W46 F51 W52 C53 | W46-G49 PolarHBondContact NE1-O 3.23Å; G49-F51 PolarHBondContact O-N 2.94Å; G49-W52 PolarHBondContact O-N 2.89Å; G49-C53 PolarHBondContact O-N 3.16Å; G49-C53 VanDerWaalsContact O-N 3.09Å |
| 50 | N | 94.9 | Very high | 95.5 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -173.7 | -75.6 | -9.4 | 0 | 0 | 0 | 113.3 | W52 C53 E54 Y132 E135 | N50-W52 PolarHBondContact O-N 2.58Å; N50-C53 WeakPolarHBondContact O-CB 3.3Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.17Å; N50-E54 PolarHBondContact O-N 2.96Å; N50-Y132 PolarHBondContact ND2-O 3.2Å; N50-E135 VanDerWaalsContact OD1-CA 3.31Å; N50-E135 WeakPolarHBondContact OD1-CA 3.48Å |
| 51 | F | 95.5 | Very high | 95.6 | Very high | 154 Ų | 154 | 59.2 Ų | 59.2 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.2 | -49.2 | 178.8 | 174.4 | -98.5 | 0 | 0 | 0 | 111.6 | G49 C53 E54 F55 | G49-F51 PolarHBondContact O-N 2.94Å; F51-C53 VanDerWaalsContact C-N 3.32Å; F51-C53 PolarHBondContact O-N 2.89Å; F51-E54 PolarHBondContact O-N 3.44Å; F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.19Å; F51-F55 VanDerWaalsContact O-N 3.1Å |
| 52 | W | 96.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.6 | -31.3 | 178.4 | -166.1 | -113.7 | 0 | 0 | 0 | 112 | F36 W46 F48 G49 N50 F55 W56 | F36-W52 AromaticContact CD1-CD1 3.9Å; F36-W52 AromaticContact CD1-NE1 3.2Å; F36-W52 HydrophobicContact CD2-CZ2 4.46Å; F36-W52 AromaticContact CE1-CE2 3.89Å; F36-W52 HydrophobicContact CE1-CZ2 4.19Å; F36-W52 AromaticContact CE1-NE1 3.15Å; F36-W52 AromaticContact CE2-CZ2 3.82Å; F36-W52 HydrophobicContact CE2-CZ2 3.82Å; F36-W52 AromaticContact CE2-NE1 3.97Å; F36-W52 AromaticContact CG-NE1 3.65Å; F36-W52 AromaticContact CZ-CE2 3.85Å; F36-W52 AromaticContact CZ-CZ2 3.66Å; F36-W52 HydrophobicContact CZ-CZ2 3.66Å; F36-W52 AromaticContact CZ-NE1 3.55Å; W46-W52 HydrophobicContact CZ2-CB 4.36Å; W46-W52 AromaticContact CZ2-CD1 3.53Å; W46-W52 HydrophobicContact CZ2-CG 4.27Å; F48-W52 HydrophobicContact CB-CB 3.83Å; F48-W52 VanDerWaalsContact CB-CD1 3.44Å; F48-W52 HydrophobicContact CB-CG 3.93Å; F48-W52 AromaticContact CG-CD1 3.85Å; F48-W52 VanDerWaalsContact O-CB 3.32Å; F48-W52 WeakPolarHBondContact O-CB 3.23Å; G49-W52 PolarHBondContact O-N 2.89Å; N50-W52 PolarHBondContact O-N 2.58Å; W52-F55 HydrophobicContact CE3-CB 4.32Å; W52-F55 AromaticContact CE3-CD1 3.86Å; W52-F55 HydrophobicContact CE3-CD1 3.86Å; W52-F55 HydrophobicContact CE3-CG 4.44Å; W52-F55 AromaticContact CH2-CD1 3.89Å; W52-F55 HydrophobicContact CH2-CD1 3.89Å; W52-F55 HydrophobicContact CH2-CE1 4.12Å; W52-F55 AromaticContact CZ3-CD1 3.38Å; W52-F55 HydrophobicContact CZ3-CD1 3.38Å; W52-F55 AromaticContact CZ3-CE1 3.8Å; W52-F55 HydrophobicContact CZ3-CE1 3.8Å; W52-F55 HydrophobicContact CZ3-CG 4.32Å; W52-F55 PolarHBondContact O-N 3.41Å; W52-W56 WeakPolarHBondContact O-CB 3.37Å; W52-W56 PolarHBondContact O-N 3.3Å |
| 53 | C | 96.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | W46 G49 N50 F51 W56 T57 C138 | W46-C53 HydrophobicContact CZ2-CB 4.11Å; G49-C53 PolarHBondContact O-N 3.16Å; G49-C53 VanDerWaalsContact O-N 3.09Å; N50-C53 WeakPolarHBondContact O-CB 3.3Å; N50-C53 PolarHBondContact O-N 3.4Å; N50-C53 VanDerWaalsContact O-N 3.17Å; F51-C53 VanDerWaalsContact C-N 3.32Å; F51-C53 PolarHBondContact O-N 2.89Å; C53-W56 PolarHBondContact O-N 3.4Å; C53-T57 WeakPolarHBondContact O-CB 3.44Å; C53-T57 PolarHBondContact O-N 2.94Å; C53-T57 PolarHBondContact O-OG1 3.37Å; C53-C138 WeakPolarHBondContact CA-SG 3.32Å; C53-C138 HydrophobicContact CB-CB 3.81Å; C53-C138 WeakPolarHBondContact CB-SG 3.31Å; C53-C138 WeakPolarHBondContact SG-CA 3.2Å; C53-C138 WeakPolarHBondContact SG-CB 3.29Å; C53-C138 CovalentContact SG-SG 2.03Å; C53-C138 PolarHBondContact SG-SG 3.13Å |
| 54 | E | 96.1 | Very high | 96 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | -179.7 | -66.4 | -174.6 | 156.1 | 0 | 0 | 111.8 | N50 F51 S58 I116 H119 R122 | N50-E54 PolarHBondContact O-N 2.96Å; F51-E54 PolarHBondContact O-N 3.44Å; E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 2.9Å; E54-S58 PolarHBondContact O-OG 3.46Å; E54-I116 HydrophobicContact CB-CG2 4.34Å; E54-H119 IonicContact OE1-CE1 2.7Å; E54-H119 PolarHBondContact OE1-CE1 3.26Å; E54-H119 IonicContact OE1-ND1 3.35Å; E54-H119 PolarHBondContact OE1-ND1 3.44Å; E54-H119 IonicContact OE2-CE1 3.7Å; E54-H119 PolarHBondContact OE2-CE1 3.23Å; E54-R122 IonicContact OE1-CZ 2.7Å; E54-R122 IonicContact OE1-NE 3.87Å; E54-R122 IonicContact OE1-NH2 3.93Å; E54-R122 PolarHBondContact OE1-NH2 3.11Å |
| 55 | F | 96.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 36.6 Ų | 36.6 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67 | -44.7 | 176 | -164.7 | -103 | 0 | 0 | 0 | 112.2 | F51 W52 S58 I59 F113 | F51-F55 WeakPolarHBondContact O-CB 3.46Å; F51-F55 PolarHBondContact O-N 3.19Å; F51-F55 VanDerWaalsContact O-N 3.1Å; W52-F55 HydrophobicContact CE3-CB 4.32Å; W52-F55 AromaticContact CE3-CD1 3.86Å; W52-F55 HydrophobicContact CE3-CD1 3.86Å; W52-F55 HydrophobicContact CE3-CG 4.44Å; W52-F55 AromaticContact CH2-CD1 3.89Å; W52-F55 HydrophobicContact CH2-CD1 3.89Å; W52-F55 HydrophobicContact CH2-CE1 4.12Å; W52-F55 AromaticContact CZ3-CD1 3.38Å; W52-F55 HydrophobicContact CZ3-CD1 3.38Å; W52-F55 AromaticContact CZ3-CE1 3.8Å; W52-F55 HydrophobicContact CZ3-CE1 3.8Å; W52-F55 HydrophobicContact CZ3-CG 4.32Å; W52-F55 PolarHBondContact O-N 3.41Å; F55-S58 WeakPolarHBondContact O-CB 3.47Å; F55-S58 PolarHBondContact O-N 3.5Å; F55-I59 HydrophobicContact CD1-CD1 3.55Å; F55-I59 HydrophobicContact CD1-CG1 4.31Å; F55-I59 HydrophobicContact CE1-CD1 3.29Å; F55-I59 HydrophobicContact CE1-CG1 4.18Å; F55-I59 HydrophobicContact CZ-CD1 4.06Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 2.86Å; F55-F113 HydrophobicContact CD2-CE1 4.01Å; F55-F113 AromaticContact CE2-CE1 3.78Å; F55-F113 HydrophobicContact CE2-CE1 3.78Å; F55-F113 HydrophobicContact CE2-CZ 4.35Å |
| 56 | W | 97.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 174.6 | 170.4 | 78.8 | 0 | 0 | 0 | 111.4 | A32 V33 W46 W52 C53 S58 I59 D60 | A32-W56 VanDerWaalsContact O-CD1 3.32Å; V33-W56 PolarHBondContact O-NE1 3.15Å; W46-W56 HydrophobicContact CH2-CB 3.95Å; W46-W56 AromaticContact CH2-CD2 3.82Å; W46-W56 HydrophobicContact CH2-CD2 3.82Å; W46-W56 HydrophobicContact CH2-CE3 4.09Å; W46-W56 AromaticContact CH2-CG 3.74Å; W46-W56 HydrophobicContact CH2-CG 3.74Å; W46-W56 HydrophobicContact CZ2-CB 4.3Å; W46-W56 HydrophobicContact CZ3-CD2 4.2Å; W46-W56 HydrophobicContact CZ3-CE3 4.3Å; W52-W56 WeakPolarHBondContact O-CB 3.37Å; W52-W56 PolarHBondContact O-N 3.3Å; C53-W56 PolarHBondContact O-N 3.4Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 3.28Å; W56-I59 PolarHBondContact O-N 3.09Å; W56-D60 PolarHBondContact O-N 3.46Å |
| 57 | T | 96.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -39 | 176.2 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | C53 D60 V61 I116 F140 | C53-T57 WeakPolarHBondContact O-CB 3.44Å; C53-T57 PolarHBondContact O-N 2.94Å; C53-T57 PolarHBondContact O-OG1 3.37Å; T57-D60 PolarHBondContact O-N 3.45Å; T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 2.86Å; T57-V61 VanDerWaalsContact O-N 3.13Å; T57-I116 HydrophobicContact CG2-CD1 3.99Å; T57-F140 HydrophobicContact CG2-CD2 3.38Å; T57-F140 HydrophobicContact CG2-CE2 3.34Å; T57-F140 HydrophobicContact CG2-CG 4.22Å; T57-F140 HydrophobicContact CG2-CZ 4.13Å |
| 58 | S | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | E54 F55 W56 L62 I116 Q117 | E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 2.9Å; E54-S58 PolarHBondContact O-OG 3.46Å; F55-S58 WeakPolarHBondContact O-CB 3.47Å; F55-S58 PolarHBondContact O-N 3.5Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 3.28Å; S58-L62 VanDerWaalsContact O-CB 3.22Å; S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 PolarHBondContact O-N 2.78Å; S58-I116 VanDerWaalsContact OG-CG2 3.29Å; S58-I116 WeakPolarHBondContact OG-CG2 3.26Å; S58-Q117 PolarHBondContact OG-NE2 3.4Å; S58-Q117 VanDerWaalsContact OG-NE2 3.15Å |
| 59 | I | 97.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 176.5 | -69.4 | 173.4 | 0 | 0 | 0 | 110.9 | V28 A32 V33 F55 W56 L62 C63 F113 | V28-I59 HydrophobicContact CG1-CG2 3.51Å; A32-I59 HydrophobicContact CB-CD1 4.3Å; A32-I59 HydrophobicContact CB-CG2 4.18Å; V33-I59 HydrophobicContact CG2-CB 4.35Å; V33-I59 HydrophobicContact CG2-CG2 3.64Å; F55-I59 HydrophobicContact CD1-CD1 3.55Å; F55-I59 HydrophobicContact CD1-CG1 4.31Å; F55-I59 HydrophobicContact CE1-CD1 3.29Å; F55-I59 HydrophobicContact CE1-CG1 4.18Å; F55-I59 HydrophobicContact CZ-CD1 4.06Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 2.86Å; W56-I59 PolarHBondContact O-N 3.09Å; I59-L62 WeakPolarHBondContact O-CB 3.24Å; I59-L62 PolarHBondContact O-N 3.02Å; I59-C63 WeakPolarHBondContact O-CB 3.3Å; I59-C63 PolarHBondContact O-N 2.99Å; I59-C63 PolarHBondContact O-SG 3.15Å; I59-F113 HydrophobicContact CG1-CZ 4.03Å |
| 60 | D | 96.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 25.2 Ų | 25.2 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.5 | -57.9 | 177.4 | -173.7 | 9.6 | 0 | 0 | 0 | 110.6 | V33 W56 T57 L62 C63 V64 Y263 | V33-D60 HydrophobicContact CG1-CB 3.83Å; V33-D60 HydrophobicContact CG2-CB 4.17Å; W56-D60 PolarHBondContact O-N 3.46Å; T57-D60 PolarHBondContact O-N 3.45Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.39Å; D60-C63 PolarHBondContact O-N 3.42Å; D60-C63 VanDerWaalsContact O-N 3.13Å; D60-V64 WeakPolarHBondContact O-CG2 3.48Å; D60-V64 PolarHBondContact O-N 3.17Å; D60-V64 VanDerWaalsContact O-N 3.16Å; D60-Y263 VanDerWaalsContact OD1-CE1 3.3Å; D60-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D60-Y263 PolarHBondContact OD2-OH 3.17Å |
| 61 | V | 96.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 23.1 Ų | 23.1 | 15% | 0.152 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | T57 C63 T65 I116 | T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 2.86Å; T57-V61 VanDerWaalsContact O-N 3.13Å; V61-C63 PolarHBondContact O-N 2.84Å; V61-T65 WeakPolarHBondContact O-CB 3.18Å; V61-T65 PolarHBondContact O-N 3.06Å; V61-T65 PolarHBondContact O-OG1 3.45Å; V61-I116 HydrophobicContact CB-CD1 4.43Å; V61-I116 HydrophobicContact CG2-CD1 4.14Å |
| 62 | L | 97.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 16.7 Ų | 16.7 | 11% | 0.11 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 175.4 | 166.3 | 68.7 | 0 | 0 | 0 | 111.3 | S58 I59 D60 V64 T65 A66 W105 S112 F113 | S58-L62 VanDerWaalsContact O-CB 3.22Å; S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 PolarHBondContact O-N 2.78Å; I59-L62 WeakPolarHBondContact O-CB 3.24Å; I59-L62 PolarHBondContact O-N 3.02Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.39Å; L62-V64 PolarHBondContact O-N 2.97Å; L62-T65 PolarHBondContact O-N 3.42Å; L62-A66 VanDerWaalsContact O-CB 3.23Å; L62-A66 WeakPolarHBondContact O-CB 3.39Å; L62-A66 PolarHBondContact O-N 2.85Å; L62-W105 HydrophobicContact CD1-CE3 4.4Å; L62-W105 HydrophobicContact CD2-CE3 4.47Å; L62-W105 HydrophobicContact CD2-CZ3 4.23Å; L62-S112 WeakPolarHBondContact CA-OG 3.35Å; L62-S112 PolarHBondContact N-OG 2.97Å; L62-F113 HydrophobicContact CB-CD2 4.47Å; L62-F113 HydrophobicContact CB-CE2 4.02Å; L62-F113 HydrophobicContact CD2-CE2 3.78Å; L62-F113 HydrophobicContact CG-CE2 4.42Å |
| 63 | C | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | -173.2 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | V28 M29 I59 D60 V61 S67 | V28-C63 WeakPolarHBondContact CG1-SG 3.49Å; M29-C63 HydrophobicContact CG-CB 3.36Å; M29-C63 HydrophobicContact SD-CB 3.28Å; M29-C63 WeakPolarHBondContact SD-CB 3.33Å; I59-C63 WeakPolarHBondContact O-CB 3.3Å; I59-C63 PolarHBondContact O-N 2.99Å; I59-C63 PolarHBondContact O-SG 3.15Å; D60-C63 PolarHBondContact O-N 3.42Å; D60-C63 VanDerWaalsContact O-N 3.13Å; V61-C63 PolarHBondContact O-N 2.84Å; C63-S67 VanDerWaalsContact O-CB 3.24Å; C63-S67 WeakPolarHBondContact O-CB 3.47Å; C63-S67 PolarHBondContact O-N 3.24Å; C63-S67 PolarHBondContact O-OG 3.28Å |
| 64 | V | 96.3 | Very high | 96.3 | Very high | 10 Ų | 10 | 14.6 Ų | 14.6 | 6% | 0.061 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | M29 D60 L62 S67 I68 W233 F237 | M29-V64 HydrophobicContact CE-CG2 4.27Å; D60-V64 WeakPolarHBondContact O-CG2 3.48Å; D60-V64 PolarHBondContact O-N 3.17Å; D60-V64 VanDerWaalsContact O-N 3.16Å; L62-V64 PolarHBondContact O-N 2.97Å; V64-S67 PolarHBondContact O-N 3.48Å; V64-I68 PolarHBondContact O-N 2.91Å; V64-I68 VanDerWaalsContact O-N 3.17Å; V64-W233 HydrophobicContact CB-CH2 4.35Å; V64-W233 HydrophobicContact CB-CZ2 4.43Å; V64-W233 HydrophobicContact CG1-CD2 4.01Å; V64-W233 HydrophobicContact CG1-CE3 3.96Å; V64-W233 HydrophobicContact CG1-CH2 4.2Å; V64-W233 HydrophobicContact CG1-CZ2 4.23Å; V64-W233 HydrophobicContact CG1-CZ3 4.05Å; V64-W233 HydrophobicContact CG2-CE3 4.42Å; V64-W233 HydrophobicContact CG2-CH2 3.19Å; V64-W233 HydrophobicContact CG2-CZ2 3.42Å; V64-W233 VanDerWaalsContact CG2-CZ2 3.42Å; V64-W233 HydrophobicContact CG2-CZ3 3.74Å; V64-F237 HydrophobicContact CG1-CE2 3.99Å; V64-F237 HydrophobicContact CG1-CZ 3.97Å |
| 65 | T | 96.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 179.6 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | V61 L62 S67 I68 E69 S108 S154 | V61-T65 WeakPolarHBondContact O-CB 3.18Å; V61-T65 PolarHBondContact O-N 3.06Å; V61-T65 PolarHBondContact O-OG1 3.45Å; L62-T65 PolarHBondContact O-N 3.42Å; T65-S67 VanDerWaalsContact C-N 3.26Å; T65-S67 PolarHBondContact O-N 2.94Å; T65-I68 WeakPolarHBondContact O-CG2 3.3Å; T65-I68 PolarHBondContact O-N 3.47Å; T65-E69 HydrophobicContact CG2-CG 4.36Å; T65-E69 WeakPolarHBondContact O-CB 3.46Å; T65-E69 WeakPolarHBondContact O-CG 3.21Å; T65-E69 PolarHBondContact O-N 2.95Å; T65-S108 WeakPolarHBondContact CG2-OG 3.32Å; T65-S154 WeakPolarHBondContact OG1-CB 3.26Å; T65-S154 PolarHBondContact OG1-OG 3.42Å |
| 66 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.5 | -34.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | L62 T70 S108 | L62-A66 VanDerWaalsContact O-CB 3.23Å; L62-A66 WeakPolarHBondContact O-CB 3.39Å; L62-A66 PolarHBondContact O-N 2.85Å; A66-T70 WeakPolarHBondContact O-CB 3.34Å; A66-T70 PolarHBondContact O-N 3.34Å; A66-T70 PolarHBondContact O-OG1 2.9Å; A66-S108 WeakPolarHBondContact CA-OG 3.44Å; A66-S108 PolarHBondContact N-OG 2.98Å; A66-S108 VanDerWaalsContact N-OG 3.16Å |
| 67 | S | 96.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.7 | -51.3 | 176.9 | -65.7 | 0 | 0 | 0 | 0 | 112 | A25 C63 V64 T65 T70 L71 | A25-S67 WeakPolarHBondContact CB-OG 3.37Å; C63-S67 VanDerWaalsContact O-CB 3.24Å; C63-S67 WeakPolarHBondContact O-CB 3.47Å; C63-S67 PolarHBondContact O-N 3.24Å; C63-S67 PolarHBondContact O-OG 3.28Å; V64-S67 PolarHBondContact O-N 3.48Å; T65-S67 VanDerWaalsContact C-N 3.26Å; T65-S67 PolarHBondContact O-N 2.94Å; S67-T70 PolarHBondContact O-N 3.49Å; S67-L71 WeakPolarHBondContact O-CG 3.45Å; S67-L71 PolarHBondContact O-N 3.23Å |
| 68 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70.8 | -36.8 | -178.7 | -164.2 | 175.9 | 0 | 0 | 0 | 112.5 | V64 T65 T70 L71 C72 S154 F155 P158 L159 F229 | V64-I68 PolarHBondContact O-N 2.91Å; V64-I68 VanDerWaalsContact O-N 3.17Å; T65-I68 WeakPolarHBondContact O-CG2 3.3Å; T65-I68 PolarHBondContact O-N 3.47Å; I68-T70 VanDerWaalsContact C-N 3.33Å; I68-T70 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 3.42Å; I68-C72 WeakPolarHBondContact O-CB 3.32Å; I68-C72 PolarHBondContact O-N 3.04Å; I68-S154 WeakPolarHBondContact CG2-O 3.3Å; I68-F155 HydrophobicContact CD1-CD2 3.58Å; I68-F155 HydrophobicContact CD1-CE2 3.88Å; I68-F155 HydrophobicContact CD1-CG 4.23Å; I68-F155 WeakPolarHBondContact CD1-O 3.15Å; I68-P158 HydrophobicContact CD1-CB 3.99Å; I68-P158 HydrophobicContact CG1-CB 3.89Å; I68-P158 HydrophobicContact CG2-CB 4.07Å; I68-P158 HydrophobicContact CG2-CG 4.35Å; I68-L159 HydrophobicContact CD1-CB 3.9Å; I68-F229 HydrophobicContact CB-CE1 3.61Å; I68-F229 HydrophobicContact CB-CZ 3.69Å; I68-F229 HydrophobicContact CD1-CE1 3.84Å; I68-F229 HydrophobicContact CG1-CD1 4.37Å; I68-F229 HydrophobicContact CG1-CE1 3.75Å; I68-F229 HydrophobicContact CG1-CZ 4.35Å |
| 69 | E | 96.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 18.4 Ų | 18.4 | 13% | 0.131 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 172.5 | -74.1 | -174.5 | 172.7 | 0 | 0 | 111 | T65 L71 C72 V73 V104 S108 P158 | T65-E69 HydrophobicContact CG2-CG 4.36Å; T65-E69 WeakPolarHBondContact O-CB 3.46Å; T65-E69 WeakPolarHBondContact O-CG 3.21Å; T65-E69 PolarHBondContact O-N 2.95Å; E69-L71 PolarHBondContact O-N 3.17Å; E69-C72 WeakPolarHBondContact O-CB 3.32Å; E69-C72 PolarHBondContact O-N 3.04Å; E69-V73 WeakPolarHBondContact O-CG2 3.15Å; E69-V73 PolarHBondContact O-N 3.27Å; E69-V104 HydrophobicContact CB-CG1 3.74Å; E69-V104 HydrophobicContact CB-CG2 4.42Å; E69-S108 VanDerWaalsContact CD-OG 3.3Å; E69-S108 PolarHBondContact OE2-OG 2.97Å; E69-P158 HydrophobicContact CG-CG 4.46Å |
| 70 | T | 96.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | F18 S21 L22 A66 S67 I68 C72 V73 I74 | F18-T70 HydrophobicContact CB-CG2 4.2Å; F18-T70 VanDerWaalsContact O-CG2 3.28Å; F18-T70 WeakPolarHBondContact O-CG2 3.11Å; S21-T70 PolarHBondContact OG-OG1 3.35Å; L22-T70 HydrophobicContact CB-CG2 4.08Å; A66-T70 WeakPolarHBondContact O-CB 3.34Å; A66-T70 PolarHBondContact O-N 3.34Å; A66-T70 PolarHBondContact O-OG1 2.9Å; S67-T70 PolarHBondContact O-N 3.49Å; I68-T70 VanDerWaalsContact C-N 3.33Å; I68-T70 PolarHBondContact O-N 3.47Å; T70-C72 VanDerWaalsContact C-N 3.35Å; T70-C72 PolarHBondContact O-N 3.13Å; T70-V73 PolarHBondContact O-N 2.88Å; T70-I74 HydrophobicContact CG2-CD1 4.06Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.42Å; T70-I74 PolarHBondContact O-N 3.33Å |
| 71 | L | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.4 | -71.5 | 173.4 | 0 | 0 | 0 | 112.6 | L22 S67 I68 E69 I74 A75 M162 I225 M226 F229 | L22-L71 HydrophobicContact CD2-CD2 3.71Å; L22-L71 HydrophobicContact CD2-CG 4.27Å; S67-L71 WeakPolarHBondContact O-CG 3.45Å; S67-L71 PolarHBondContact O-N 3.23Å; I68-L71 PolarHBondContact O-N 3.42Å; E69-L71 PolarHBondContact O-N 3.17Å; L71-I74 HydrophobicContact CD2-CD1 4.47Å; L71-I74 PolarHBondContact O-N 3.49Å; L71-A75 PolarHBondContact O-N 2.83Å; L71-M162 HydrophobicContact CB-SD 3.66Å; L71-M162 HydrophobicContact CD1-SD 4.36Å; L71-I225 HydrophobicContact CD2-CG2 3.75Å; L71-M226 HydrophobicContact CD2-CG 4.15Å; L71-F229 HydrophobicContact CD1-CB 3.6Å; L71-F229 HydrophobicContact CD1-CD1 3.96Å; L71-F229 HydrophobicContact CD1-CD2 3.67Å; L71-F229 HydrophobicContact CD1-CE2 4.39Å; L71-F229 HydrophobicContact CD1-CG 3.44Å; L71-F229 VanDerWaalsContact CD1-CG 3.44Å |
| 72 | C | 95.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | I68 E69 T70 I74 A75 V76 P158 V161 M162 | I68-C72 WeakPolarHBondContact O-CB 3.32Å; I68-C72 PolarHBondContact O-N 3.04Å; E69-C72 WeakPolarHBondContact O-CB 3.32Å; E69-C72 PolarHBondContact O-N 3.04Å; T70-C72 VanDerWaalsContact C-N 3.35Å; T70-C72 PolarHBondContact O-N 3.13Å; C72-I74 VanDerWaalsContact C-N 3.33Å; C72-I74 PolarHBondContact O-N 3.12Å; C72-A75 WeakPolarHBondContact O-CB 3.42Å; C72-A75 PolarHBondContact O-N 3.47Å; C72-A75 VanDerWaalsContact O-N 3.14Å; C72-V76 WeakPolarHBondContact O-CG2 3.25Å; C72-V76 PolarHBondContact O-N 3.12Å; C72-P158 HydrophobicContact CB-CB 4.49Å; C72-V161 WeakPolarHBondContact SG-CG1 3.42Å; C72-M162 HydrophobicContact CB-CB 4.36Å |
| 73 | V | 94.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 20.8 Ų | 20.8 | 21% | 0.212 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | F18 E69 T70 A75 V76 D77 V100 V104 | F18-V73 HydrophobicContact CD1-CG1 3.87Å; F18-V73 HydrophobicContact CD2-CG1 4.46Å; F18-V73 HydrophobicContact CE1-CG1 3.42Å; F18-V73 VanDerWaalsContact CE1-CG1 3.42Å; F18-V73 HydrophobicContact CE2-CG1 4.06Å; F18-V73 HydrophobicContact CG-CG1 4.38Å; F18-V73 HydrophobicContact CZ-CG1 3.53Å; E69-V73 WeakPolarHBondContact O-CG2 3.15Å; E69-V73 PolarHBondContact O-N 3.27Å; T70-V73 PolarHBondContact O-N 2.88Å; V73-A75 VanDerWaalsContact C-N 3.33Å; V73-A75 PolarHBondContact O-N 3.45Å; V73-V76 PolarHBondContact O-N 3.09Å; V73-D77 VanDerWaalsContact O-CB 3.27Å; V73-D77 WeakPolarHBondContact O-CB 2.97Å; V73-D77 PolarHBondContact O-N 2.96Å; V73-V100 HydrophobicContact CG1-CG1 3.73Å; V73-V100 HydrophobicContact CG2-CG1 4.11Å; V73-V104 HydrophobicContact CG2-CG2 4.04Å |
| 74 | I | 93.5 | Very high | 92 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.5 | -69.3 | 165.8 | 0 | 0 | 0 | 110.7 | F18 T70 L71 C72 V76 D77 R78 L222 M226 | F18-I74 HydrophobicContact CB-CD1 3.83Å; F18-I74 HydrophobicContact CB-CG1 3.47Å; F18-I74 VanDerWaalsContact CB-CG1 3.47Å; F18-I74 HydrophobicContact CD2-CG1 4.36Å; F18-I74 HydrophobicContact CG-CG1 4.13Å; T70-I74 HydrophobicContact CG2-CD1 4.06Å; T70-I74 VanDerWaalsContact O-CG1 3.28Å; T70-I74 WeakPolarHBondContact O-CG1 3.42Å; T70-I74 PolarHBondContact O-N 3.33Å; L71-I74 HydrophobicContact CD2-CD1 4.47Å; L71-I74 PolarHBondContact O-N 3.49Å; C72-I74 VanDerWaalsContact C-N 3.33Å; C72-I74 PolarHBondContact O-N 3.12Å; I74-V76 PolarHBondContact O-N 3.34Å; I74-D77 PolarHBondContact O-N 3.4Å; I74-R78 HydrophobicContact CG2-CG 4.36Å; I74-R78 VanDerWaalsContact O-CG 3.28Å; I74-R78 WeakPolarHBondContact O-CG 3.48Å; I74-R78 PolarHBondContact O-N 2.99Å; I74-L222 HydrophobicContact CG2-CD1 4.13Å; I74-L222 HydrophobicContact CG2-CD2 4.13Å; I74-M226 HydrophobicContact CB-CE 4.22Å; I74-M226 HydrophobicContact CG2-CE 3.79Å |
| 75 | A | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L71 C72 V73 R78 Y79 M162 V165 Y166 M226 | L71-A75 PolarHBondContact O-N 2.83Å; C72-A75 WeakPolarHBondContact O-CB 3.42Å; C72-A75 PolarHBondContact O-N 3.47Å; C72-A75 VanDerWaalsContact O-N 3.14Å; V73-A75 VanDerWaalsContact C-N 3.33Å; V73-A75 PolarHBondContact O-N 3.45Å; A75-R78 PolarHBondContact O-N 2.99Å; A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.41Å; A75-M162 HydrophobicContact CB-CG 4.21Å; A75-V165 HydrophobicContact CB-CB 4.3Å; A75-V165 HydrophobicContact CB-CG1 4.08Å; A75-V165 WeakPolarHBondContact O-CG1 3.4Å; A75-Y166 HydrophobicContact CB-CD2 4.4Å; A75-M226 HydrophobicContact CB-CE 3.85Å; A75-M226 HydrophobicContact CB-SD 4.28Å |
| 76 | V | 91.9 | Very high | 90.2 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 39% | 0.388 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | C72 V73 I74 R78 Y79 V80 V165 | C72-V76 WeakPolarHBondContact O-CG2 3.25Å; C72-V76 PolarHBondContact O-N 3.12Å; V73-V76 PolarHBondContact O-N 3.09Å; I74-V76 PolarHBondContact O-N 3.34Å; V76-R78 VanDerWaalsContact C-N 3.34Å; V76-R78 PolarHBondContact O-N 3.35Å; V76-Y79 WeakPolarHBondContact O-CB 3.47Å; V76-Y79 PolarHBondContact O-N 2.82Å; V76-V80 HydrophobicContact CG1-CG2 4.45Å; V76-V80 WeakPolarHBondContact O-CG2 3.5Å; V76-V80 PolarHBondContact O-N 3.45Å; V76-V165 HydrophobicContact CG2-CG1 4.27Å; V76-V165 HydrophobicContact CG2-CG2 4.28Å |
| 77 | D | 90.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.1 | -48.3 | 175.3 | 169.5 | 78.6 | 0 | 0 | 0 | 111.3 | T15 F18 V73 I74 Y79 V80 A81 Y88 | T15-D77 PolarHBondContact OG1-OD2 2.94Å; F18-D77 HydrophobicContact CE2-CB 4.2Å; V73-D77 VanDerWaalsContact O-CB 3.27Å; V73-D77 WeakPolarHBondContact O-CB 2.97Å; V73-D77 PolarHBondContact O-N 2.96Å; I74-D77 PolarHBondContact O-N 3.4Å; D77-Y79 PolarHBondContact O-N 3.14Å; D77-V80 PolarHBondContact O-N 3.44Å; D77-A81 WeakPolarHBondContact O-CB 3.44Å; D77-A81 PolarHBondContact O-N 3.42Å; D77-Y88 WeakPolarHBondContact OD1-CE2 3.4Å; D77-Y88 PolarHBondContact OD1-OH 3.01Å |
| 78 | R | 89.3 | Confident | 88.6 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 15% | 0.151 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 177 | -67.1 | -57.8 | 84.3 | -158.9 | -4 | 112.4 | T15 I74 A75 V76 A81 I82 Y88 V169 L219 L222 | T15-R78 PolarHBondContact OG1-NE 3.39Å; T15-R78 PolarHBondContact OG1-NH2 2.9Å; I74-R78 HydrophobicContact CG2-CG 4.36Å; I74-R78 VanDerWaalsContact O-CG 3.28Å; I74-R78 WeakPolarHBondContact O-CG 3.48Å; I74-R78 PolarHBondContact O-N 2.99Å; A75-R78 PolarHBondContact O-N 2.99Å; V76-R78 VanDerWaalsContact C-N 3.34Å; V76-R78 PolarHBondContact O-N 3.35Å; R78-A81 PolarHBondContact O-N 3.42Å; R78-I82 WeakPolarHBondContact O-CD1 3.28Å; R78-I82 VanDerWaalsContact O-CG1 3.26Å; R78-I82 WeakPolarHBondContact O-CG1 3.27Å; R78-I82 PolarHBondContact O-N 2.95Å; R78-Y88 PolarHBondContact NH2-OH 3.42Å; R78-Y88 VanDerWaalsContact NH2-OH 3.08Å; R78-V169 HydrophobicContact CB-CG2 4.35Å; R78-L219 HydrophobicContact CB-CD2 4.28Å; R78-L219 HydrophobicContact CG-CD2 4.27Å; R78-L222 HydrophobicContact CG-CD1 3.62Å |
| 79 | Y | 89 | Confident | 87.5 | Confident | 93 Ų | 93 | 50 Ų | 50 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 175.8 | 179.2 | -103.1 | 0 | 0 | 0 | 112.2 | A75 V76 D77 I82 T83 V165 R168 V169 | A75-Y79 WeakPolarHBondContact O-CB 3.49Å; A75-Y79 PolarHBondContact O-N 3.41Å; V76-Y79 WeakPolarHBondContact O-CB 3.47Å; V76-Y79 PolarHBondContact O-N 2.82Å; D77-Y79 PolarHBondContact O-N 3.14Å; Y79-I82 PolarHBondContact O-N 2.92Å; Y79-T83 HydrophobicContact CD2-CG2 3.98Å; Y79-T83 HydrophobicContact CE1-CG2 4.29Å; Y79-T83 HydrophobicContact CE2-CG2 3.6Å; Y79-T83 HydrophobicContact CG-CG2 4.46Å; Y79-T83 WeakPolarHBondContact O-CB 3.38Å; Y79-T83 WeakPolarHBondContact O-CG2 3.48Å; Y79-T83 PolarHBondContact O-N 3.4Å; Y79-T83 PolarHBondContact O-OG1 2.84Å; Y79-V165 HydrophobicContact CG-CG1 4.12Å; Y79-R168 HydrophobicContact CD2-CB 4.09Å; Y79-R168 HydrophobicContact CE2-CB 3.87Å; Y79-V169 VanDerWaalsContact CA-CG2 3.49Å; Y79-V169 HydrophobicContact CD2-CG2 4.13Å; Y79-V169 HydrophobicContact CG-CG2 4.42Å |
| 80 | V | 88.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.9 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | V76 D77 I82 S84 Y88 L91 | V76-V80 HydrophobicContact CG1-CG2 4.45Å; V76-V80 WeakPolarHBondContact O-CG2 3.5Å; V76-V80 PolarHBondContact O-N 3.45Å; D77-V80 PolarHBondContact O-N 3.44Å; V80-I82 VanDerWaalsContact C-N 3.35Å; V80-I82 PolarHBondContact O-N 3.01Å; V80-S84 PolarHBondContact O-N 3.3Å; V80-Y88 HydrophobicContact CG1-CD2 4.37Å; V80-L91 HydrophobicContact CG1-CD1 4.25Å |
| 81 | A | 86.4 | Confident | 85.5 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | D77 R78 Y88 | D77-A81 WeakPolarHBondContact O-CB 3.44Å; D77-A81 PolarHBondContact O-N 3.42Å; R78-A81 PolarHBondContact O-N 3.42Å; A81-Y88 HydrophobicContact CB-CD1 4.44Å; A81-Y88 HydrophobicContact CB-CD2 3.6Å; A81-Y88 HydrophobicContact CB-CE2 3.68Å; A81-Y88 HydrophobicContact CB-CG 4Å |
| 82 | I | 83.6 | Confident | 84.9 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.2 | -42.2 | -176.1 | -65.3 | 164 | 0 | 0 | 0 | 111.9 | R78 Y79 V80 V169 V172 L219 | R78-I82 WeakPolarHBondContact O-CD1 3.28Å; R78-I82 VanDerWaalsContact O-CG1 3.26Å; R78-I82 WeakPolarHBondContact O-CG1 3.27Å; R78-I82 PolarHBondContact O-N 2.95Å; Y79-I82 PolarHBondContact O-N 2.92Å; V80-I82 VanDerWaalsContact C-N 3.35Å; V80-I82 PolarHBondContact O-N 3.01Å; I82-V169 HydrophobicContact CD1-CB 4.44Å; I82-V169 HydrophobicContact CD1-CG1 3.56Å; I82-V169 HydrophobicContact CD1-CG2 4.46Å; I82-V172 HydrophobicContact CG2-CB 4.27Å; I82-V172 HydrophobicContact CG2-CG1 3.55Å; I82-L219 HydrophobicContact CD1-CD1 3.62Å; I82-L219 HydrophobicContact CD1-CD2 3.83Å; I82-L219 HydrophobicContact CD1-CG 4.35Å |
| 83 | T | 84.3 | Confident | 84.5 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -75.6 | -29.6 | -176.7 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | Y79 V172 | Y79-T83 HydrophobicContact CD2-CG2 3.98Å; Y79-T83 HydrophobicContact CE1-CG2 4.29Å; Y79-T83 HydrophobicContact CE2-CG2 3.6Å; Y79-T83 HydrophobicContact CG-CG2 4.46Å; Y79-T83 WeakPolarHBondContact O-CB 3.38Å; Y79-T83 WeakPolarHBondContact O-CG2 3.48Å; Y79-T83 PolarHBondContact O-N 3.4Å; Y79-T83 PolarHBondContact O-OG1 2.84Å; T83-V172 HydrophobicContact CG2-CG2 4.5Å |
| 84 | S | 82.2 | Confident | 84.2 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | trans | -141.2 | 67.1 | -172.2 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | V80 F86 K87 Y88 | V80-S84 PolarHBondContact O-N 3.3Å; S84-F86 PolarHBondContact O-N 3.48Å; S84-K87 PolarHBondContact O-N 3.32Å; S84-K87 VanDerWaalsContact O-N 3.15Å; S84-Y88 WeakPolarHBondContact O-CB 3.48Å; S84-Y88 PolarHBondContact O-N 3.07Å | ||
| 85 | P | 78.1 | Confident | 84 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | -172.5 | 21.8 | -33.4 | 0 | 0 | 0 | 114 | Y88 | P85-Y88 PolarHBondContact O-N 3.29Å |
| 86 | F | 76.8 | Confident | 84 | Confident | 181 Ų | 181 | 72.7 Ų | 72.7 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.5 | -33.3 | 178.5 | -61 | -67.6 | 0 | 0 | 0 | 113.1 | S84 | S84-F86 PolarHBondContact O-N 3.48Å |
| 87 | K | 78.1 | Confident | 84 | Confident | 135 Ų | 135 | 69.6 Ų | 69.6 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.3 | -30.4 | 174.1 | -61 | -175.4 | 176.1 | -179.3 | 0 | 111.5 | S84 Q89 S90 L91 | S84-K87 PolarHBondContact O-N 3.32Å; S84-K87 VanDerWaalsContact O-N 3.15Å; K87-Q89 VanDerWaalsContact C-N 3.33Å; K87-Q89 PolarHBondContact O-N 2.95Å; K87-S90 PolarHBondContact O-N 3.25Å; K87-S90 PolarHBondContact O-OG 3.34Å; K87-L91 HydrophobicContact CB-CD1 3.76Å; K87-L91 VanDerWaalsContact O-CB 3.26Å; K87-L91 WeakPolarHBondContact O-CB 3.46Å; K87-L91 WeakPolarHBondContact O-CD1 3.28Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.36Å; K87-L91 PolarHBondContact O-N 3.24Å |
| 88 | Y | 82.6 | Confident | 84.2 | Confident | 41 Ų | 41 | 75 Ų | 75 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 179 | 175.1 | -94.9 | 0 | 0 | 0 | 112.1 | D77 R78 V80 A81 S84 P85 S90 L91 L92 | D77-Y88 WeakPolarHBondContact OD1-CE2 3.4Å; D77-Y88 PolarHBondContact OD1-OH 3.01Å; R78-Y88 PolarHBondContact NH2-OH 3.42Å; R78-Y88 VanDerWaalsContact NH2-OH 3.08Å; V80-Y88 HydrophobicContact CG1-CD2 4.37Å; A81-Y88 HydrophobicContact CB-CD1 4.44Å; A81-Y88 HydrophobicContact CB-CD2 3.6Å; A81-Y88 HydrophobicContact CB-CE2 3.68Å; A81-Y88 HydrophobicContact CB-CG 4Å; S84-Y88 WeakPolarHBondContact O-CB 3.48Å; S84-Y88 PolarHBondContact O-N 3.07Å; P85-Y88 PolarHBondContact O-N 3.29Å; Y88-S90 PolarHBondContact O-N 3.18Å; Y88-L91 PolarHBondContact O-N 3.41Å; Y88-L92 HydrophobicContact CD2-CB 4.35Å; Y88-L92 HydrophobicContact CD2-CD1 3.89Å; Y88-L92 HydrophobicContact CE2-CB 4.05Å; Y88-L92 HydrophobicContact CE2-CD1 3.67Å; Y88-L92 HydrophobicContact CE2-CG 4.46Å; Y88-L92 PolarHBondContact O-N 2.84Å; Y88-L92 VanDerWaalsContact O-N 3.07Å |
| 89 | Q | 72.8 | Confident | 84.5 | Confident | 158 Ų | 158 | 77.2 Ų | 77.2 | 74% | 0.738 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.9 | -29.1 | 178.4 | -70.6 | -175.5 | -11.9 | 0 | 0 | 113.4 | K87 | K87-Q89 VanDerWaalsContact C-N 3.33Å; K87-Q89 PolarHBondContact O-N 2.95Å |
| 90 | S | 74.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 58% | 0.58 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -93.3 | -29.4 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | K87 Y88 | K87-S90 PolarHBondContact O-N 3.25Å; K87-S90 PolarHBondContact O-OG 3.34Å; Y88-S90 PolarHBondContact O-N 3.18Å |
| 91 | L | 77.3 | Confident | 85.2 | Confident | 89 Ų | 89 | 75 Ų | 75 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.8 | -47.5 | -177.7 | -79.6 | 162.1 | 0 | 0 | 0 | 112.7 | V80 K87 Y88 K96 | V80-L91 HydrophobicContact CG1-CD1 4.25Å; K87-L91 HydrophobicContact CB-CD1 3.76Å; K87-L91 VanDerWaalsContact O-CB 3.26Å; K87-L91 WeakPolarHBondContact O-CB 3.46Å; K87-L91 WeakPolarHBondContact O-CD1 3.28Å; K87-L91 VanDerWaalsContact O-CG 3.27Å; K87-L91 WeakPolarHBondContact O-CG 3.36Å; K87-L91 PolarHBondContact O-N 3.24Å; Y88-L91 PolarHBondContact O-N 3.41Å; L91-K96 WeakPolarHBondContact O-CD 3.26Å; L91-K96 PolarHBondContact O-NZ 3.07Å; L91-K96 VanDerWaalsContact O-NZ 3.11Å |
| 92 | L | 80.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 79.2 Ų | 79.2 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | trans | -110 | 91.9 | -169.5 | -93.7 | 144.8 | 0 | 0 | 0 | 111.8 | V14 Y88 | V14-L92 HydrophobicContact CG1-CD2 3.95Å; Y88-L92 HydrophobicContact CD2-CB 4.35Å; Y88-L92 HydrophobicContact CD2-CD1 3.89Å; Y88-L92 HydrophobicContact CE2-CB 4.05Å; Y88-L92 HydrophobicContact CE2-CD1 3.67Å; Y88-L92 HydrophobicContact CE2-CG 4.46Å; Y88-L92 PolarHBondContact O-N 2.84Å; Y88-L92 VanDerWaalsContact O-N 3.07Å | ||
| 93 | T | 88.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 82.9 Ų | 82.9 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | trans | -90.9 | 157.8 | 171.4 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | N95 K96 A97 | T93-N95 PolarHBondContact O-N 3.24Å; T93-K96 PolarHBondContact O-N 3.08Å; T93-K96 VanDerWaalsContact O-N 3.14Å; T93-K96 WeakPolarHBondContact OG1-CG 3.49Å; T93-K96 PolarHBondContact OG1-N 3.47Å; T93-A97 PolarHBondContact O-N 3.5Å | ||
| 94 | K | 88.3 | Confident | 86.9 | Confident | 88 Ų | 88 | 81 Ų | 81 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55 | -37.1 | 176.5 | -65.1 | -176 | 179.7 | -174.1 | 0 | 112.4 | Q12 Y17 A97 R98 | Q12-K94 WeakPolarHBondContact O-CE 3.34Å; Q12-K94 PolarHBondContact O-NZ 3.21Å; Q12-K94 VanDerWaalsContact O-NZ 3.16Å; Y17-K94 HydrophobicContact CE2-CD 4.27Å; Y17-K94 HydrophobicContact CE2-CG 4.42Å; K94-A97 PolarHBondContact O-N 3.2Å; K94-R98 WeakPolarHBondContact O-CG 3.11Å; K94-R98 PolarHBondContact O-N 3.38Å; K94-R98 VanDerWaalsContact O-N 3.11Å |
| 95 | N | 90.3 | Very high | 87.7 | Confident | 107 Ų | 107 | 82.2 Ų | 82.2 | 57% | 0.572 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.8 | -44.9 | 178.4 | -69.6 | -8.3 | 0 | 0 | 0 | 111.8 | T93 A97 R98 V99 | T93-N95 PolarHBondContact O-N 3.24Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.01Å; N95-R98 PolarHBondContact O-N 3.31Å; N95-R98 PolarHBondContact OD1-NH1 3.39Å; N95-R98 VanDerWaalsContact OD1-NH1 3.09Å; N95-V99 WeakPolarHBondContact O-CG2 3.5Å; N95-V99 PolarHBondContact O-N 3.03Å; N95-V99 VanDerWaalsContact O-N 3.09Å |
| 96 | K | 91.6 | Very high | 88.6 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.2 | -70.6 | 175.5 | 179.5 | 179.6 | 0 | 111.4 | L91 T93 R98 V99 V100 | L91-K96 WeakPolarHBondContact O-CD 3.26Å; L91-K96 PolarHBondContact O-NZ 3.07Å; L91-K96 VanDerWaalsContact O-NZ 3.11Å; T93-K96 PolarHBondContact O-N 3.08Å; T93-K96 VanDerWaalsContact O-N 3.14Å; T93-K96 WeakPolarHBondContact OG1-CG 3.49Å; T93-K96 PolarHBondContact OG1-N 3.47Å; K96-R98 VanDerWaalsContact C-N 3.35Å; K96-R98 PolarHBondContact O-N 2.97Å; K96-V99 PolarHBondContact O-N 3.37Å; K96-V100 WeakPolarHBondContact O-CG2 3.07Å; K96-V100 PolarHBondContact O-N 2.88Å |
| 97 | A | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V14 F18 T93 K94 N95 V99 V100 I101 | V14-A97 HydrophobicContact CG1-CB 3.87Å; F18-A97 HydrophobicContact CZ-CB 4.14Å; T93-A97 PolarHBondContact O-N 3.5Å; K94-A97 PolarHBondContact O-N 3.2Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.01Å; A97-V99 PolarHBondContact O-N 3.38Å; A97-V100 PolarHBondContact O-N 3.39Å; A97-I101 VanDerWaalsContact O-CG1 3.32Å; A97-I101 WeakPolarHBondContact O-CG1 3.39Å; A97-I101 PolarHBondContact O-N 2.97Å |
| 98 | R | 93.9 | Very high | 90.4 | Very high | 117 Ų | 117 | 71.1 Ų | 71.1 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174 | -68.2 | 176.3 | -161.8 | 145.3 | 1 | 112.4 | Y17 K94 N95 K96 I101 L102 | Y17-R98 HydrophobicContact CD1-CG 4.29Å; Y17-R98 HydrophobicContact CE1-CG 4.27Å; Y17-R98 PolarHBondContact OH-NH2 3Å; K94-R98 WeakPolarHBondContact O-CG 3.11Å; K94-R98 PolarHBondContact O-N 3.38Å; K94-R98 VanDerWaalsContact O-N 3.11Å; N95-R98 PolarHBondContact O-N 3.31Å; N95-R98 PolarHBondContact OD1-NH1 3.39Å; N95-R98 VanDerWaalsContact OD1-NH1 3.09Å; K96-R98 VanDerWaalsContact C-N 3.35Å; K96-R98 PolarHBondContact O-N 2.97Å; R98-I101 PolarHBondContact O-N 2.71Å; R98-L102 WeakPolarHBondContact O-CB 3.28Å; R98-L102 PolarHBondContact O-N 2.86Å |
| 99 | V | 95.7 | Very high | 91.1 | Very high | 88 Ų | 88 | 70 Ų | 70 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 174.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | N95 K96 A97 I101 L102 M103 | N95-V99 WeakPolarHBondContact O-CG2 3.5Å; N95-V99 PolarHBondContact O-N 3.03Å; N95-V99 VanDerWaalsContact O-N 3.09Å; K96-V99 PolarHBondContact O-N 3.37Å; A97-V99 PolarHBondContact O-N 3.38Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.33Å; V99-L102 PolarHBondContact O-N 3.32Å; V99-M103 HydrophobicContact CG1-CG 4.39Å; V99-M103 VanDerWaalsContact O-CG 3.3Å; V99-M103 WeakPolarHBondContact O-CG 2.99Å; V99-M103 PolarHBondContact O-N 3.14Å |
| 100 | V | 95.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 67.4 Ų | 67.4 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.2 | F18 V73 K96 A97 M103 V104 | F18-V100 HydrophobicContact CE1-CB 4.28Å; F18-V100 HydrophobicContact CE1-CG1 3.97Å; F18-V100 HydrophobicContact CZ-CG1 4.35Å; V73-V100 HydrophobicContact CG1-CG1 3.73Å; V73-V100 HydrophobicContact CG2-CG1 4.11Å; K96-V100 WeakPolarHBondContact O-CG2 3.07Å; K96-V100 PolarHBondContact O-N 2.88Å; A97-V100 PolarHBondContact O-N 3.39Å; V100-M103 PolarHBondContact O-N 2.95Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 3.23Å |
| 101 | I | 96.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.138 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 175.1 | -69.5 | 164.9 | 0 | 0 | 0 | 110.2 | Y17 F18 A97 R98 V99 M103 V104 W105 | Y17-I101 WeakPolarHBondContact O-CD1 3.49Å; F18-I101 HydrophobicContact CD1-CD1 3.97Å; F18-I101 HydrophobicContact CD1-CG1 3.62Å; F18-I101 HydrophobicContact CE1-CD1 4.28Å; F18-I101 HydrophobicContact CE1-CG1 3.78Å; A97-I101 VanDerWaalsContact O-CG1 3.32Å; A97-I101 WeakPolarHBondContact O-CG1 3.39Å; A97-I101 PolarHBondContact O-N 2.97Å; R98-I101 PolarHBondContact O-N 2.71Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.33Å; I101-M103 VanDerWaalsContact C-N 3.27Å; I101-M103 PolarHBondContact O-N 2.96Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.28Å; I101-V104 VanDerWaalsContact O-N 3.1Å; I101-W105 VanDerWaalsContact O-CD1 3.25Å; I101-W105 PolarHBondContact O-N 3.25Å |
| 102 | L | 97.3 | Very high | 94 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 55% | 0.55 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 178.7 | -178.5 | 65.2 | 0 | 0 | 0 | 111.7 | R98 V99 W105 I106 | R98-L102 WeakPolarHBondContact O-CB 3.28Å; R98-L102 PolarHBondContact O-N 2.86Å; V99-L102 PolarHBondContact O-N 3.32Å; L102-W105 PolarHBondContact O-N 3.4Å; L102-I106 HydrophobicContact CD1-CD1 4.2Å; L102-I106 HydrophobicContact CD1-CG1 4.49Å; L102-I106 HydrophobicContact CD2-CD1 4.48Å; L102-I106 HydrophobicContact CG-CD1 3.86Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 3.17Å |
| 103 | M | 96.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 61.7 Ų | 61.7 | 50% | 0.498 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.7 | -69.1 | -59.9 | -62.1 | 0 | 0 | 112.4 | V99 V100 I101 I106 V107 | V99-M103 HydrophobicContact CG1-CG 4.39Å; V99-M103 VanDerWaalsContact O-CG 3.3Å; V99-M103 WeakPolarHBondContact O-CG 2.99Å; V99-M103 PolarHBondContact O-N 3.14Å; V100-M103 PolarHBondContact O-N 2.95Å; I101-M103 VanDerWaalsContact C-N 3.27Å; I101-M103 PolarHBondContact O-N 2.96Å; M103-I106 PolarHBondContact O-N 3.12Å; M103-V107 WeakPolarHBondContact O-CB 3.42Å; M103-V107 VanDerWaalsContact O-CG2 3.27Å; M103-V107 WeakPolarHBondContact O-CG2 3.46Å; M103-V107 PolarHBondContact O-N 3.36Å |
| 104 | V | 97.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 174.2 | 165.7 | 0 | 0 | 0 | 0 | 110.5 | E69 V73 V100 I101 I106 V107 S108 | E69-V104 HydrophobicContact CB-CG1 3.74Å; E69-V104 HydrophobicContact CB-CG2 4.42Å; V73-V104 HydrophobicContact CG2-CG2 4.04Å; V100-V104 WeakPolarHBondContact O-CG2 3.43Å; V100-V104 PolarHBondContact O-N 3.23Å; I101-V104 WeakPolarHBondContact O-CB 3.44Å; I101-V104 PolarHBondContact O-N 3.28Å; I101-V104 VanDerWaalsContact O-N 3.1Å; V104-I106 VanDerWaalsContact C-N 3.35Å; V104-I106 PolarHBondContact O-N 2.98Å; V104-V107 PolarHBondContact O-N 3.08Å; V104-S108 WeakPolarHBondContact O-CB 3.48Å; V104-S108 PolarHBondContact O-N 3.4Å; V104-S108 PolarHBondContact O-OG 2.86Å; V104-S108 VanDerWaalsContact O-OG 3.07Å |
| 105 | W | 97.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 179.4 | -77.2 | 83.7 | 0 | 0 | 0 | 113 | S21 C24 A25 L62 I101 L102 G109 | S21-W105 PolarHBondContact OG-NE1 3.47Å; C24-W105 HydrophobicContact CB-CH2 4.42Å; C24-W105 HydrophobicContact CB-CZ2 4Å; A25-W105 HydrophobicContact CB-CH2 4.21Å; A25-W105 HydrophobicContact CB-CZ2 4.26Å; L62-W105 HydrophobicContact CD1-CE3 4.4Å; L62-W105 HydrophobicContact CD2-CE3 4.47Å; L62-W105 HydrophobicContact CD2-CZ3 4.23Å; I101-W105 VanDerWaalsContact O-CD1 3.25Å; I101-W105 PolarHBondContact O-N 3.25Å; L102-W105 PolarHBondContact O-N 3.4Å; W105-G109 PolarHBondContact O-N 3.32Å |
| 106 | I | 97.6 | Very high | 95.8 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -48.8 | 175.7 | -71 | 168.9 | 0 | 0 | 0 | 110.8 | L102 M103 V104 G109 L110 | L102-I106 HydrophobicContact CD1-CD1 4.2Å; L102-I106 HydrophobicContact CD1-CG1 4.49Å; L102-I106 HydrophobicContact CD2-CD1 4.48Å; L102-I106 HydrophobicContact CG-CD1 3.86Å; L102-I106 VanDerWaalsContact O-CG1 3.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 3.17Å; M103-I106 PolarHBondContact O-N 3.12Å; V104-I106 VanDerWaalsContact C-N 3.35Å; V104-I106 PolarHBondContact O-N 2.98Å; I106-G109 PolarHBondContact O-N 2.81Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 3.16Å |
| 107 | V | 96.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 52 Ų | 52 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -50.9 | -179.5 | 171.6 | 0 | 0 | 0 | 0 | 110 | M103 V104 G109 L110 T111 | M103-V107 WeakPolarHBondContact O-CB 3.42Å; M103-V107 VanDerWaalsContact O-CG2 3.27Å; M103-V107 WeakPolarHBondContact O-CG2 3.46Å; M103-V107 PolarHBondContact O-N 3.36Å; V104-V107 PolarHBondContact O-N 3.08Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.31Å; V107-L110 PolarHBondContact O-N 3.44Å; V107-L110 VanDerWaalsContact O-N 3.12Å; V107-T111 HydrophobicContact CG1-CG2 4.47Å; V107-T111 WeakPolarHBondContact O-CG2 3.48Å; V107-T111 PolarHBondContact O-N 2.88Å; V107-T111 PolarHBondContact O-OG1 3.4Å |
| 108 | S | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 175.5 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | T65 A66 E69 V104 T111 S112 | T65-S108 WeakPolarHBondContact CG2-OG 3.32Å; A66-S108 WeakPolarHBondContact CA-OG 3.44Å; A66-S108 PolarHBondContact N-OG 2.98Å; A66-S108 VanDerWaalsContact N-OG 3.16Å; E69-S108 VanDerWaalsContact CD-OG 3.3Å; E69-S108 PolarHBondContact OE2-OG 2.97Å; V104-S108 WeakPolarHBondContact O-CB 3.48Å; V104-S108 PolarHBondContact O-N 3.4Å; V104-S108 PolarHBondContact O-OG 2.86Å; V104-S108 VanDerWaalsContact O-OG 3.07Å; S108-T111 PolarHBondContact O-OG1 3.46Å; S108-T111 VanDerWaalsContact O-OG1 3.08Å; S108-S112 WeakPolarHBondContact O-CB 3.42Å; S108-S112 PolarHBondContact O-N 3.34Å; S108-S112 VanDerWaalsContact O-N 3.08Å; S108-S112 PolarHBondContact O-OG 3.25Å |
| 109 | G | 96.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W105 I106 V107 S112 F113 | W105-G109 PolarHBondContact O-N 3.32Å; I106-G109 PolarHBondContact O-N 2.81Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.31Å; G109-S112 PolarHBondContact O-N 3.15Å; G109-F113 WeakPolarHBondContact O-CB 3.36Å; G109-F113 PolarHBondContact O-N 3.49Å |
| 110 | L | 95.6 | Very high | 96.1 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 55% | 0.55 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 179.1 | -170.1 | 66.5 | 0 | 0 | 0 | 111.7 | I106 V107 S112 L114 | I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 3.16Å; V107-L110 PolarHBondContact O-N 3.44Å; V107-L110 VanDerWaalsContact O-N 3.12Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.16Å; L110-L114 HydrophobicContact CD1-CB 4.24Å; L110-L114 HydrophobicContact CD1-CD1 3.46Å; L110-L114 VanDerWaalsContact CD1-CD1 3.46Å; L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.01Å |
| 111 | T | 94 | Very high | 96.1 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.9 | -22.9 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | V107 S108 P115 V153 | V107-T111 HydrophobicContact CG1-CG2 4.47Å; V107-T111 WeakPolarHBondContact O-CG2 3.48Å; V107-T111 PolarHBondContact O-N 2.88Å; V107-T111 PolarHBondContact O-OG1 3.4Å; S108-T111 PolarHBondContact O-OG1 3.46Å; S108-T111 VanDerWaalsContact O-OG1 3.08Å; T111-P115 WeakPolarHBondContact O-CD 3.18Å; T111-P115 WeakPolarHBondContact O-CG 3.23Å; T111-V153 HydrophobicContact CG2-CG1 4.24Å |
| 112 | S | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -97.8 | -59 | -177 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | L62 S108 G109 L110 I116 | L62-S112 WeakPolarHBondContact CA-OG 3.35Å; L62-S112 PolarHBondContact N-OG 2.97Å; S108-S112 WeakPolarHBondContact O-CB 3.42Å; S108-S112 PolarHBondContact O-N 3.34Å; S108-S112 VanDerWaalsContact O-N 3.08Å; S108-S112 PolarHBondContact O-OG 3.25Å; G109-S112 PolarHBondContact O-N 3.15Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.16Å; S112-I116 WeakPolarHBondContact O-CD1 3.31Å; S112-I116 WeakPolarHBondContact O-CG1 3.27Å |
| 113 | F | 96.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 24% | 0.237 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | -175.7 | -82.9 | -106.2 | 0 | 0 | 0 | 112 | F55 I59 L62 G109 I116 Q117 | F55-F113 HydrophobicContact CD2-CE1 4.01Å; F55-F113 AromaticContact CE2-CE1 3.78Å; F55-F113 HydrophobicContact CE2-CE1 3.78Å; F55-F113 HydrophobicContact CE2-CZ 4.35Å; I59-F113 HydrophobicContact CG1-CZ 4.03Å; L62-F113 HydrophobicContact CB-CD2 4.47Å; L62-F113 HydrophobicContact CB-CE2 4.02Å; L62-F113 HydrophobicContact CD2-CE2 3.78Å; L62-F113 HydrophobicContact CG-CE2 4.42Å; G109-F113 WeakPolarHBondContact O-CB 3.36Å; G109-F113 PolarHBondContact O-N 3.49Å; F113-I116 PolarHBondContact O-N 2.88Å; F113-Q117 HydrophobicContact CD1-CG 4.42Å; F113-Q117 WeakPolarHBondContact O-CB 3.43Å; F113-Q117 WeakPolarHBondContact O-CG 3.41Å; F113-Q117 PolarHBondContact O-N 3.27Å |
| 114 | L | 95.7 | Very high | 95.7 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 33% | 0.33 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | -172.4 | -169.2 | 160.7 | 0 | 0 | 0 | 112 | L110 I116 M118 W120 | L110-L114 HydrophobicContact CD1-CB 4.24Å; L110-L114 HydrophobicContact CD1-CD1 3.46Å; L110-L114 VanDerWaalsContact CD1-CD1 3.46Å; L110-L114 HydrophobicContact CG-CD1 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.01Å; L114-I116 VanDerWaalsContact C-N 3.28Å; L114-I116 PolarHBondContact O-N 2.93Å; L114-M118 HydrophobicContact CD2-CG 4.06Å; L114-M118 HydrophobicContact CG-CG 4.31Å; L114-M118 WeakPolarHBondContact O-CB 3.46Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.48Å; L114-W120 HydrophobicContact CD2-CD2 4.48Å; L114-W120 HydrophobicContact CD2-CE3 3.87Å; L114-W120 HydrophobicContact CD2-CH2 3.33Å; L114-W120 HydrophobicContact CD2-CZ2 3.99Å; L114-W120 HydrophobicContact CD2-CZ3 3.26Å |
| 115 | P | 95.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 179.2 | -25 | 37.3 | 0 | 0 | 0 | 114.1 | T111 H119 W120 Y121 Y146 | T111-P115 WeakPolarHBondContact O-CD 3.18Å; T111-P115 WeakPolarHBondContact O-CG 3.23Å; P115-H119 PolarHBondContact O-N 2.89Å; P115-W120 HydrophobicContact CB-CB 4.39Å; P115-W120 HydrophobicContact CB-CE3 4.39Å; P115-W120 HydrophobicContact CG-CE3 4.5Å; P115-W120 PolarHBondContact O-N 3.06Å; P115-Y121 PolarHBondContact O-N 3.47Å; P115-Y146 HydrophobicContact CB-CD2 3.93Å; P115-Y146 HydrophobicContact CB-CE2 3.37Å; P115-Y146 HydrophobicContact CG-CE2 4.05Å |
| 116 | I | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.2 | -49.5 | -178.4 | -65.4 | 169.7 | 0 | 0 | 0 | 110.7 | E54 T57 S58 V61 S112 F113 L114 M118 H119 Y121 | E54-I116 HydrophobicContact CB-CG2 4.34Å; T57-I116 HydrophobicContact CG2-CD1 3.99Å; S58-I116 VanDerWaalsContact OG-CG2 3.29Å; S58-I116 WeakPolarHBondContact OG-CG2 3.26Å; V61-I116 HydrophobicContact CB-CD1 4.43Å; V61-I116 HydrophobicContact CG2-CD1 4.14Å; S112-I116 WeakPolarHBondContact O-CD1 3.31Å; S112-I116 WeakPolarHBondContact O-CG1 3.27Å; F113-I116 PolarHBondContact O-N 2.88Å; L114-I116 VanDerWaalsContact C-N 3.28Å; L114-I116 PolarHBondContact O-N 2.93Å; I116-M118 VanDerWaalsContact C-N 3.34Å; I116-M118 PolarHBondContact O-N 3.47Å; I116-H119 WeakPolarHBondContact O-CA 3.37Å; I116-H119 PolarHBondContact O-N 3.11Å; I116-H119 PolarHBondContact O-ND1 3.3Å; I116-Y121 HydrophobicContact CB-CD1 4.29Å; I116-Y121 HydrophobicContact CB-CE1 4.33Å; I116-Y121 HydrophobicContact CG1-CD1 4.26Å; I116-Y121 HydrophobicContact CG2-CD1 4.35Å; I116-Y121 HydrophobicContact CG2-CE1 3.89Å; I116-Y121 WeakPolarHBondContact O-CE1 3.36Å |
| 117 | Q | 95.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.5 | -31.9 | -179.4 | -59.9 | -58 | -37.6 | 0 | 0 | 112.3 | S58 F113 H119 | S58-Q117 PolarHBondContact OG-NE2 3.4Å; S58-Q117 VanDerWaalsContact OG-NE2 3.15Å; F113-Q117 HydrophobicContact CD1-CG 4.42Å; F113-Q117 WeakPolarHBondContact O-CB 3.43Å; F113-Q117 WeakPolarHBondContact O-CG 3.41Å; F113-Q117 PolarHBondContact O-N 3.27Å; Q117-H119 PolarHBondContact O-N 3.11Å |
| 118 | M | 95.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 62 Ų | 62 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.9 | 172.4 | -61 | -62.3 | -65.9 | 0 | 0 | 113.1 | L114 I116 W120 | L114-M118 HydrophobicContact CD2-CG 4.06Å; L114-M118 HydrophobicContact CG-CG 4.31Å; L114-M118 WeakPolarHBondContact O-CB 3.46Å; L114-M118 WeakPolarHBondContact O-CG 3.47Å; L114-M118 PolarHBondContact O-N 3.48Å; I116-M118 VanDerWaalsContact C-N 3.34Å; I116-M118 PolarHBondContact O-N 3.47Å; M118-W120 HydrophobicContact CB-CD2 4.12Å; M118-W120 HydrophobicContact CB-CG 4.11Å; M118-W120 HydrophobicContact CB-CZ2 4.37Å; M118-W120 HydrophobicContact CG-CZ2 4.49Å; M118-W120 VanDerWaalsContact O-CD1 3.23Å; M118-W120 PolarHBondContact O-N 3.25Å; M118-W120 VanDerWaalsContact O-N 3.13Å |
| 119 | H | 95.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 19.4 | -180 | -52.2 | -40.3 | 0 | 0 | 0 | 115.6 | E54 P115 I116 Q117 Y121 R122 | E54-H119 IonicContact OE1-CE1 2.7Å; E54-H119 PolarHBondContact OE1-CE1 3.26Å; E54-H119 IonicContact OE1-ND1 3.35Å; E54-H119 PolarHBondContact OE1-ND1 3.44Å; E54-H119 IonicContact OE2-CE1 3.7Å; E54-H119 PolarHBondContact OE2-CE1 3.23Å; P115-H119 PolarHBondContact O-N 2.89Å; I116-H119 WeakPolarHBondContact O-CA 3.37Å; I116-H119 PolarHBondContact O-N 3.11Å; I116-H119 PolarHBondContact O-ND1 3.3Å; Q117-H119 PolarHBondContact O-N 3.11Å; H119-Y121 PolarHBondContact O-N 3.32Å; H119-R122 HydrophobicContact CB-CG 4.09Å; H119-R122 PolarHBondContact CE1-NH2 3.19Å; H119-R122 PolarHBondContact ND1-NH2 3.36Å; H119-R122 PolarHBondContact NE2-NH2 3.31Å; H119-R122 PolarHBondContact O-N 2.98Å; H119-R122 VanDerWaalsContact O-N 3.15Å |
| 120 | W | 95.5 | Very high | 94.5 | Very high | 154 Ų | 154 | 69.7 Ų | 69.7 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19 | 177.9 | -63.7 | -7.8 | 0 | 0 | 0 | 113.2 | L114 P115 M118 N143 | L114-W120 HydrophobicContact CD2-CD2 4.48Å; L114-W120 HydrophobicContact CD2-CE3 3.87Å; L114-W120 HydrophobicContact CD2-CH2 3.33Å; L114-W120 HydrophobicContact CD2-CZ2 3.99Å; L114-W120 HydrophobicContact CD2-CZ3 3.26Å; P115-W120 HydrophobicContact CB-CB 4.39Å; P115-W120 HydrophobicContact CB-CE3 4.39Å; P115-W120 HydrophobicContact CG-CE3 4.5Å; P115-W120 PolarHBondContact O-N 3.06Å; M118-W120 HydrophobicContact CB-CD2 4.12Å; M118-W120 HydrophobicContact CB-CG 4.11Å; M118-W120 HydrophobicContact CB-CZ2 4.37Å; M118-W120 HydrophobicContact CG-CZ2 4.49Å; M118-W120 VanDerWaalsContact O-CD1 3.23Å; M118-W120 PolarHBondContact O-N 3.25Å; M118-W120 VanDerWaalsContact O-N 3.13Å; W120-N143 PolarHBondContact O-ND2 3.42Å |
| 121 | Y | 94.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 65 Ų | 65 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.4 | 176.4 | 78.7 | -78 | 0 | 0 | 0 | 113.6 | P115 I116 H119 A123 Y132 F140 T142 N143 Y146 | P115-Y121 PolarHBondContact O-N 3.47Å; I116-Y121 HydrophobicContact CB-CD1 4.29Å; I116-Y121 HydrophobicContact CB-CE1 4.33Å; I116-Y121 HydrophobicContact CG1-CD1 4.26Å; I116-Y121 HydrophobicContact CG2-CD1 4.35Å; I116-Y121 HydrophobicContact CG2-CE1 3.89Å; I116-Y121 WeakPolarHBondContact O-CE1 3.36Å; H119-Y121 PolarHBondContact O-N 3.32Å; Y121-A123 PolarHBondContact O-N 3.25Å; Y121-Y132 HydrophobicContact CE2-CE1 4.3Å; Y121-F140 HydrophobicContact CD2-CD2 4.08Å; Y121-F140 AromaticContact CD2-CE2 3.6Å; Y121-F140 HydrophobicContact CD2-CE2 3.6Å; Y121-F140 HydrophobicContact CD2-CZ 4.46Å; Y121-F140 AromaticContact CE2-CD2 3.99Å; Y121-F140 HydrophobicContact CE2-CD2 3.99Å; Y121-F140 AromaticContact CE2-CE2 3.88Å; Y121-F140 HydrophobicContact CE2-CE2 3.88Å; Y121-F140 HydrophobicContact CG-CE2 4.33Å; Y121-T142 HydrophobicContact CD2-CG2 4.12Å; Y121-T142 CarbonylContact O-C 3.47Å; Y121-T142 WeakPolarHBondContact O-CA 3.46Å; Y121-N143 VanDerWaalsContact C-ND2 3.29Å; Y121-N143 PolarHBondContact O-N 3.28Å; Y121-N143 PolarHBondContact O-ND2 2.96Å; Y121-N143 VanDerWaalsContact O-ND2 3.17Å; Y121-Y146 VanDerWaalsContact CB-CD1 3.5Å |
| 122 | R | 95.1 | Very high | 94.5 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | trans | -61.9 | 138 | -166.8 | -71.1 | -170.5 | -179.7 | 167 | -0.2 | 112.4 | E54 H119 Y132 N143 | E54-R122 IonicContact OE1-CZ 2.7Å; E54-R122 IonicContact OE1-NE 3.87Å; E54-R122 IonicContact OE1-NH2 3.93Å; E54-R122 PolarHBondContact OE1-NH2 3.11Å; H119-R122 HydrophobicContact CB-CG 4.09Å; H119-R122 PolarHBondContact CE1-NH2 3.19Å; H119-R122 PolarHBondContact ND1-NH2 3.36Å; H119-R122 PolarHBondContact NE2-NH2 3.31Å; H119-R122 PolarHBondContact O-N 2.98Å; H119-R122 VanDerWaalsContact O-N 3.15Å; R122-Y132 WeakPolarHBondContact CA-OH 3.11Å; R122-Y132 HydrophobicContact CB-CD2 4.37Å; R122-Y132 HydrophobicContact CB-CE2 3.67Å; R122-Y132 HydrophobicContact CG-CD2 4.15Å; R122-Y132 HydrophobicContact CG-CE1 4.24Å; R122-Y132 HydrophobicContact CG-CE2 3.77Å; R122-N143 PolarHBondContact O-ND2 3.46Å | ||
| 123 | A | 93.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | trans | -86 | 154.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y121 H125 A128 Y132 F141 | Y121-A123 PolarHBondContact O-N 3.25Å; A123-H125 WeakPolarHBondContact CB-ND1 3.46Å; A123-A128 HydrophobicContact CB-CB 3.92Å; A123-Y132 PolarHBondContact N-OH 3.17Å; A123-F141 HydrophobicContact CB-CB 4.29Å | ||
| 124 | T | 93 | Very high | 94.3 | Very high | 131 Ų | 131 | 72 Ų | 72 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | trans | -100.7 | 0.2 | -173.3 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | I129 | T124-I129 WeakPolarHBondContact O-CD1 3.47Š| ||
| 125 | H | 90.4 | Very high | 94.3 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 38% | 0.384 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -79.2 | 151.4 | 178.9 | 64.3 | -87.5 | 0 | 0 | 0 | 111.4 | A123 Q127 A128 I129 F141 | A123-H125 WeakPolarHBondContact CB-ND1 3.46Å; H125-Q127 PolarHBondContact O-N 2.94Å; H125-A128 VanDerWaalsContact CE1-CB 3.49Å; H125-A128 WeakPolarHBondContact CE1-CB 3.37Å; H125-A128 WeakPolarHBondContact NE2-CB 3.11Å; H125-A128 WeakPolarHBondContact O-CB 3.41Å; H125-A128 PolarHBondContact O-N 3.33Å; H125-I129 PolarHBondContact O-N 2.95Å; H125-F141 AromaticContact CE1-CD1 3.9Å; H125-F141 AromaticContact NE2-CD1 3.71Å |
| 126 | K | 92.6 | Very high | 94.2 | Very high | 163 Ų | 163 | 77 Ų | 77 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54 | -45.1 | -169.7 | -170.9 | 176.3 | 179.1 | -179.9 | 0 | 113.9 | A128 I129 D130 | K126-A128 VanDerWaalsContact C-N 3.3Å; K126-A128 PolarHBondContact O-N 2.94Å; K126-I129 PolarHBondContact O-N 2.92Å; K126-D130 VanDerWaalsContact O-CG 3.24Å; K126-D130 PolarHBondContact O-N 3.01Å |
| 127 | Q | 91.4 | Very high | 94.1 | Very high | 123 Ų | 123 | 78.3 Ų | 78.3 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | 179.3 | -174.2 | -179.7 | 1.3 | 0 | 0 | 113.2 | H125 C131 F141 | H125-Q127 PolarHBondContact O-N 2.94Å; Q127-C131 WeakPolarHBondContact O-CB 3.36Å; Q127-C131 PolarHBondContact O-N 2.88Å; Q127-C131 VanDerWaalsContact O-N 3.11Å; Q127-F141 HydrophobicContact CG-CZ 4.19Å |
| 128 | A | 92.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.3 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A123 H125 K126 D130 C131 Y132 F141 | A123-A128 HydrophobicContact CB-CB 3.92Å; H125-A128 VanDerWaalsContact CE1-CB 3.49Å; H125-A128 WeakPolarHBondContact CE1-CB 3.37Å; H125-A128 WeakPolarHBondContact NE2-CB 3.11Å; H125-A128 WeakPolarHBondContact O-CB 3.41Å; H125-A128 PolarHBondContact O-N 3.33Å; K126-A128 VanDerWaalsContact C-N 3.3Å; K126-A128 PolarHBondContact O-N 2.94Å; A128-D130 VanDerWaalsContact C-N 3.33Å; A128-D130 PolarHBondContact O-N 3.1Å; A128-C131 WeakPolarHBondContact O-CB 3.31Å; A128-C131 PolarHBondContact O-N 3.45Å; A128-C131 VanDerWaalsContact O-N 3.13Å; A128-Y132 HydrophobicContact CB-CE2 3.77Å; A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 WeakPolarHBondContact O-CE2 3.28Å; A128-Y132 PolarHBondContact O-N 3.33Å; A128-F141 HydrophobicContact CB-CB 3.62Å; A128-F141 HydrophobicContact CB-CD2 4.05Å; A128-F141 HydrophobicContact CB-CG 3.83Å |
| 129 | I | 94.8 | Very high | 94 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 45% | 0.451 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 178.1 | -61.8 | 171.6 | 0 | 0 | 0 | 110.6 | T124 H125 K126 C131 Y132 A133 | T124-I129 WeakPolarHBondContact O-CD1 3.47Å; H125-I129 PolarHBondContact O-N 2.95Å; K126-I129 PolarHBondContact O-N 2.92Å; I129-C131 VanDerWaalsContact C-N 3.26Å; I129-C131 PolarHBondContact O-N 3.36Å; I129-Y132 PolarHBondContact O-N 2.99Å; I129-A133 PolarHBondContact O-N 3.15Å; I129-A133 VanDerWaalsContact O-N 3.08Å |
| 130 | D | 95.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 177.2 | -67.1 | -19 | 0 | 0 | 0 | 111.3 | K126 A128 K134 | K126-D130 VanDerWaalsContact O-CG 3.24Å; K126-D130 PolarHBondContact O-N 3.01Å; A128-D130 VanDerWaalsContact C-N 3.33Å; A128-D130 PolarHBondContact O-N 3.1Å; D130-K134 WeakPolarHBondContact O-CB 3.42Å; D130-K134 PolarHBondContact O-N 3.41Å |
| 131 | C | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -49.8 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 112 | Q127 A128 I129 A133 K134 C137 F141 | Q127-C131 WeakPolarHBondContact O-CB 3.36Å; Q127-C131 PolarHBondContact O-N 2.88Å; Q127-C131 VanDerWaalsContact O-N 3.11Å; A128-C131 WeakPolarHBondContact O-CB 3.31Å; A128-C131 PolarHBondContact O-N 3.45Å; A128-C131 VanDerWaalsContact O-N 3.13Å; I129-C131 VanDerWaalsContact C-N 3.26Å; I129-C131 PolarHBondContact O-N 3.36Å; C131-A133 PolarHBondContact O-N 3.04Å; C131-K134 PolarHBondContact O-N 2.68Å; C131-C137 VanDerWaalsContact CA-SG 3.57Å; C131-C137 HydrophobicContact CB-CB 3.94Å; C131-C137 WeakPolarHBondContact CB-SG 3.48Å; C131-C137 WeakPolarHBondContact O-CB 3.43Å; C131-C137 WeakPolarHBondContact SG-CB 3.36Å; C131-C137 CovalentContact SG-SG 2.03Å; C131-C137 PolarHBondContact SG-SG 2.96Å; C131-F141 HydrophobicContact CB-CD2 4.17Å; C131-F141 HydrophobicContact CB-CE2 4.04Å |
| 132 | Y | 94.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 13% | 0.125 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.8 | -31.5 | -178.9 | -54.2 | -43.5 | 0 | 0 | 0 | 113 | N50 Y121 R122 A123 A128 I129 K134 F141 | N50-Y132 PolarHBondContact ND2-O 3.2Å; Y121-Y132 HydrophobicContact CE2-CE1 4.3Å; R122-Y132 WeakPolarHBondContact CA-OH 3.11Å; R122-Y132 HydrophobicContact CB-CD2 4.37Å; R122-Y132 HydrophobicContact CB-CE2 3.67Å; R122-Y132 HydrophobicContact CG-CD2 4.15Å; R122-Y132 HydrophobicContact CG-CE1 4.24Å; R122-Y132 HydrophobicContact CG-CE2 3.77Å; A123-Y132 PolarHBondContact N-OH 3.17Å; A128-Y132 HydrophobicContact CB-CE2 3.77Å; A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 WeakPolarHBondContact O-CE2 3.28Å; A128-Y132 PolarHBondContact O-N 3.33Å; I129-Y132 PolarHBondContact O-N 2.99Å; Y132-K134 VanDerWaalsContact C-N 3.33Å; Y132-F141 HydrophobicContact CE1-CB 4.43Å; Y132-F141 WeakPolarHBondContact OH-CB 3.35Å; Y132-F141 PolarHBondContact OH-O 3.18Å |
| 133 | A | 94.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 66% | 0.661 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.4 | -24.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I129 C131 | I129-A133 PolarHBondContact O-N 3.15Å; I129-A133 VanDerWaalsContact O-N 3.08Å; C131-A133 PolarHBondContact O-N 3.04Å |
| 134 | K | 94.7 | Very high | 93.3 | Very high | 124 Ų | 124 | 69.9 Ų | 69.9 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | trans | -94.1 | 114.6 | -174.7 | -166.8 | -172.9 | -166.6 | -167.2 | 0 | 110.7 | D130 C131 Y132 T136 C137 | D130-K134 WeakPolarHBondContact O-CB 3.42Å; D130-K134 PolarHBondContact O-N 3.41Å; C131-K134 PolarHBondContact O-N 2.68Å; Y132-K134 VanDerWaalsContact C-N 3.33Å; K134-T136 WeakPolarHBondContact CD-OG1 3.47Å; K134-T136 WeakPolarHBondContact CE-OG1 3.26Å; K134-T136 WeakPolarHBondContact CG-OG1 3.19Å; K134-T136 PolarHBondContact O-N 3.2Å; K134-C137 HydrophobicContact CB-CB 4.15Å; K134-C137 HydrophobicContact CD-CB 4.39Å; K134-C137 PolarHBondContact O-N 3.48Å | ||
| 135 | E | 94.3 | Very high | 93.4 | Very high | 135 Ų | 135 | 67.1 Ų | 67.1 | 63% | 0.631 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.9 | 178.6 | -66 | -171.4 | 169.5 | 0 | 0 | 115.1 | N50 | N50-E135 VanDerWaalsContact OD1-CA 3.31Å; N50-E135 WeakPolarHBondContact OD1-CA 3.48Å |
| 136 | T | 94.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 64.2 Ų | 64.2 | 32% | 0.319 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.3 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | W46 K134 | W46-T136 WeakPolarHBondContact CB-O 3.33Å; W46-T136 PolarHBondContact N-O 2.73Å; W46-T136 WeakPolarHBondContact O-CA 3.34Å; K134-T136 WeakPolarHBondContact CD-OG1 3.47Å; K134-T136 WeakPolarHBondContact CE-OG1 3.26Å; K134-T136 WeakPolarHBondContact CG-OG1 3.19Å; K134-T136 PolarHBondContact O-N 3.2Å |
| 137 | C | 94.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | trans | -114.1 | 128 | 177 | -167.1 | 0 | 0 | 0 | 0 | 110.4 | C131 K134 | C131-C137 VanDerWaalsContact CA-SG 3.57Å; C131-C137 HydrophobicContact CB-CB 3.94Å; C131-C137 WeakPolarHBondContact CB-SG 3.48Å; C131-C137 WeakPolarHBondContact O-CB 3.43Å; C131-C137 WeakPolarHBondContact SG-CB 3.36Å; C131-C137 CovalentContact SG-SG 2.03Å; C131-C137 PolarHBondContact SG-SG 2.96Å; K134-C137 HydrophobicContact CB-CB 4.15Å; K134-C137 HydrophobicContact CD-CB 4.39Å; K134-C137 PolarHBondContact O-N 3.48Å | ||
| 138 | C | 95.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -135.2 | 47 | 176.3 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | W46 C53 | W46-C138 HydrophobicContact CB-CB 3.71Å; W46-C138 HydrophobicContact CD2-CB 3.44Å; W46-C138 VanDerWaalsContact CD2-CB 3.44Å; W46-C138 HydrophobicContact CE3-CB 3.73Å; W46-C138 HydrophobicContact CG-CB 3.44Å; W46-C138 VanDerWaalsContact CG-CB 3.44Å; W46-C138 HydrophobicContact CZ3-CB 4.49Å; C53-C138 WeakPolarHBondContact CA-SG 3.32Å; C53-C138 HydrophobicContact CB-CB 3.81Å; C53-C138 WeakPolarHBondContact CB-SG 3.31Å; C53-C138 WeakPolarHBondContact SG-CA 3.2Å; C53-C138 WeakPolarHBondContact SG-CB 3.29Å; C53-C138 CovalentContact SG-SG 2.03Å; C53-C138 PolarHBondContact SG-SG 3.13Å | ||
| 139 | D | 91.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | trans | -83.7 | 129.5 | 175.1 | -77 | -12.7 | 0 | 0 | 0 | 109.7 | H40 F141 K252 | H40-D139 IonicContact NE2-OD1 3.02Å; D139-F141 HydrophobicContact CB-CD2 3.73Å; D139-F141 HydrophobicContact CB-CE2 3.33Å; D139-F141 HydrophobicContact CB-CZ 3.99Å; D139-F141 PolarHBondContact O-N 2.87Å; D139-K252 IonicContact OD1-NZ 2.71Å; D139-K252 PolarHBondContact OD1-NZ 2.88Å; D139-K252 IonicContact OD2-NZ 3.28Å; D139-K252 PolarHBondContact OD2-NZ 3.3Å | ||
| 140 | F | 91.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | trans | -79.6 | 68.1 | -178 | -170.3 | -123.8 | 0 | 0 | 0 | 112.4 | T57 Y121 T142 Y146 | T57-F140 HydrophobicContact CG2-CD2 3.38Å; T57-F140 HydrophobicContact CG2-CE2 3.34Å; T57-F140 HydrophobicContact CG2-CG 4.22Å; T57-F140 HydrophobicContact CG2-CZ 4.13Å; Y121-F140 HydrophobicContact CD2-CD2 4.08Å; Y121-F140 AromaticContact CD2-CE2 3.6Å; Y121-F140 HydrophobicContact CD2-CE2 3.6Å; Y121-F140 HydrophobicContact CD2-CZ 4.46Å; Y121-F140 AromaticContact CE2-CD2 3.99Å; Y121-F140 HydrophobicContact CE2-CD2 3.99Å; Y121-F140 AromaticContact CE2-CE2 3.88Å; Y121-F140 HydrophobicContact CE2-CE2 3.88Å; Y121-F140 HydrophobicContact CG-CE2 4.33Å; F140-T142 HydrophobicContact CD1-CG2 3.83Å; F140-T142 HydrophobicContact CD2-CG2 4.18Å; F140-T142 HydrophobicContact CE1-CG2 3.42Å; F140-T142 VanDerWaalsContact CE1-CG2 3.42Å; F140-T142 HydrophobicContact CE2-CG2 3.8Å; F140-T142 HydrophobicContact CG-CG2 4.22Å; F140-T142 HydrophobicContact CZ-CG2 3.43Å; F140-T142 VanDerWaalsContact CZ-CG2 3.43Å; F140-Y146 AromaticContact CZ-CE1 3.81Å; F140-Y146 HydrophobicContact CZ-CE1 3.81Å | ||
| 141 | F | 91.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | trans | -73.2 | 128.3 | 170.5 | -66.2 | -70.9 | 0 | 0 | 0 | 109.7 | A123 H125 Q127 A128 C131 Y132 D139 | A123-F141 HydrophobicContact CB-CB 4.29Å; H125-F141 AromaticContact CE1-CD1 3.9Å; H125-F141 AromaticContact NE2-CD1 3.71Å; Q127-F141 HydrophobicContact CG-CZ 4.19Å; A128-F141 HydrophobicContact CB-CB 3.62Å; A128-F141 HydrophobicContact CB-CD2 4.05Å; A128-F141 HydrophobicContact CB-CG 3.83Å; C131-F141 HydrophobicContact CB-CD2 4.17Å; C131-F141 HydrophobicContact CB-CE2 4.04Å; Y132-F141 HydrophobicContact CE1-CB 4.43Å; Y132-F141 WeakPolarHBondContact OH-CB 3.35Å; Y132-F141 PolarHBondContact OH-O 3.18Å; D139-F141 HydrophobicContact CB-CD2 3.73Å; D139-F141 HydrophobicContact CB-CE2 3.33Å; D139-F141 HydrophobicContact CB-CZ 3.99Å; D139-F141 PolarHBondContact O-N 2.87Å | ||
| 142 | T | 92.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | trans | -125.5 | 149.2 | -179.5 | 54 | 0 | 0 | 0 | 0 | 111.7 | Y121 F140 Y146 | Y121-T142 HydrophobicContact CD2-CG2 4.12Å; Y121-T142 CarbonylContact O-C 3.47Å; Y121-T142 WeakPolarHBondContact O-CA 3.46Å; F140-T142 HydrophobicContact CD1-CG2 3.83Å; F140-T142 HydrophobicContact CD2-CG2 4.18Å; F140-T142 HydrophobicContact CE1-CG2 3.42Å; F140-T142 VanDerWaalsContact CE1-CG2 3.42Å; F140-T142 HydrophobicContact CE2-CG2 3.8Å; F140-T142 HydrophobicContact CG-CG2 4.22Å; F140-T142 HydrophobicContact CZ-CG2 3.43Å; F140-T142 VanDerWaalsContact CZ-CG2 3.43Å; T142-Y146 HydrophobicContact CG2-CD1 3.71Å; T142-Y146 HydrophobicContact CG2-CE1 3.87Å | ||
| 143 | N | 93.5 | Very high | 93.7 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | trans | -75.8 | 159.6 | 167.1 | 66.9 | 69 | 0 | 0 | 0 | 111.3 | W120 Y121 R122 A145 Y146 A147 | W120-N143 PolarHBondContact O-ND2 3.42Å; Y121-N143 VanDerWaalsContact C-ND2 3.29Å; Y121-N143 PolarHBondContact O-N 3.28Å; Y121-N143 PolarHBondContact O-ND2 2.96Å; Y121-N143 VanDerWaalsContact O-ND2 3.17Å; R122-N143 PolarHBondContact O-ND2 3.46Å; N143-A145 VanDerWaalsContact C-N 3.35Å; N143-A145 PolarHBondContact O-N 3.21Å; N143-A145 PolarHBondContact OD1-N 2.88Å; N143-Y146 PolarHBondContact O-N 3.48Å; N143-Y146 WeakPolarHBondContact OD1-CB 3.37Å; N143-Y146 PolarHBondContact OD1-N 2.96Å; N143-A147 PolarHBondContact O-N 3.16Å | ||
| 144 | Q | 92.8 | Very high | 93.6 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | -172.2 | -52.4 | -174.1 | -47.4 | 0 | 0 | 113.1 | A147 I148 V244 | Q144-A147 PolarHBondContact O-N 3.1Å; Q144-I148 WeakPolarHBondContact O-CB 3.41Å; Q144-I148 VanDerWaalsContact O-CG1 3.29Å; Q144-I148 WeakPolarHBondContact O-CG1 3.31Å; Q144-I148 PolarHBondContact O-N 3.33Å; Q144-I148 VanDerWaalsContact O-N 3.09Å; Q144-V244 VanDerWaalsContact CA-CG1 3.42Å; Q144-V244 HydrophobicContact CB-CG1 3.51Å; Q144-V244 HydrophobicContact CG-CG1 3.71Å; Q144-V244 PolarHBondContact NE2-O 3.22Å |
| 145 | A | 93.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 45 Ų | 45 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N143 A149 | N143-A145 VanDerWaalsContact C-N 3.35Å; N143-A145 PolarHBondContact O-N 3.21Å; N143-A145 PolarHBondContact OD1-N 2.88Å; A145-A149 WeakPolarHBondContact O-CB 3.42Å; A145-A149 PolarHBondContact O-N 3.45Å |
| 146 | Y | 94.1 | Very high | 93.7 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 177.1 | 175.2 | -96.6 | 0 | 0 | 0 | 111.6 | P115 Y121 F140 T142 N143 I148 A149 S150 | P115-Y146 HydrophobicContact CB-CD2 3.93Å; P115-Y146 HydrophobicContact CB-CE2 3.37Å; P115-Y146 HydrophobicContact CG-CE2 4.05Å; Y121-Y146 VanDerWaalsContact CB-CD1 3.5Å; F140-Y146 AromaticContact CZ-CE1 3.81Å; F140-Y146 HydrophobicContact CZ-CE1 3.81Å; T142-Y146 HydrophobicContact CG2-CD1 3.71Å; T142-Y146 HydrophobicContact CG2-CE1 3.87Å; N143-Y146 PolarHBondContact O-N 3.48Å; N143-Y146 WeakPolarHBondContact OD1-CB 3.37Å; N143-Y146 PolarHBondContact OD1-N 2.96Å; Y146-I148 VanDerWaalsContact C-N 3.31Å; Y146-I148 PolarHBondContact O-N 3.38Å; Y146-A149 PolarHBondContact O-N 3.11Å; Y146-S150 WeakPolarHBondContact O-CB 3.24Å; Y146-S150 PolarHBondContact O-N 3.1Å |
| 147 | A | 93.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N143 Q144 S151 V244 | N143-A147 PolarHBondContact O-N 3.16Å; Q144-A147 PolarHBondContact O-N 3.1Å; A147-S151 WeakPolarHBondContact O-CB 3.35Å; A147-S151 PolarHBondContact O-N 3.19Å; A147-S151 PolarHBondContact O-OG 3.19Å; A147-V244 HydrophobicContact CB-CB 4.37Å; A147-V244 HydrophobicContact CB-CG1 4.29Å; A147-V244 HydrophobicContact CB-CG2 3.32Å |
| 148 | I | 94.4 | Very high | 93.8 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 33% | 0.333 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.1 | -53.4 | 176.2 | -64.7 | 168.2 | 0 | 0 | 0 | 110.5 | Q144 Y146 S151 I152 I241 V244 | Q144-I148 WeakPolarHBondContact O-CB 3.41Å; Q144-I148 VanDerWaalsContact O-CG1 3.29Å; Q144-I148 WeakPolarHBondContact O-CG1 3.31Å; Q144-I148 PolarHBondContact O-N 3.33Å; Q144-I148 VanDerWaalsContact O-N 3.09Å; Y146-I148 VanDerWaalsContact C-N 3.31Å; Y146-I148 PolarHBondContact O-N 3.38Å; I148-S151 PolarHBondContact O-N 2.99Å; I148-I152 HydrophobicContact CG2-CD1 3.66Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CB 3.14Å; I148-I152 VanDerWaalsContact O-CG1 3.26Å; I148-I152 WeakPolarHBondContact O-CG1 3.49Å; I148-I152 PolarHBondContact O-N 2.73Å; I148-I241 HydrophobicContact CG1-CD1 4.2Å; I148-V244 HydrophobicContact CD1-CG1 4.34Å; I148-V244 HydrophobicContact CG1-CG1 4.26Å |
| 149 | A | 94.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 45% | 0.446 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -46.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A145 Y146 I152 V153 | A145-A149 WeakPolarHBondContact O-CB 3.42Å; A145-A149 PolarHBondContact O-N 3.45Å; Y146-A149 PolarHBondContact O-N 3.11Å; A149-I152 PolarHBondContact O-N 3.08Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.34Å |
| 150 | S | 93.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 177.9 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | Y146 I152 V153 S154 | Y146-S150 WeakPolarHBondContact O-CB 3.24Å; Y146-S150 PolarHBondContact O-N 3.1Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 2.98Å; S150-V153 PolarHBondContact O-N 2.96Å; S150-S154 WeakPolarHBondContact O-CB 3.24Å; S150-S154 PolarHBondContact O-N 3.03Å; S150-S154 PolarHBondContact O-OG 3.16Å |
| 151 | S | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.3 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | A147 I148 F155 Y156 N240 | A147-S151 WeakPolarHBondContact O-CB 3.35Å; A147-S151 PolarHBondContact O-N 3.19Å; A147-S151 PolarHBondContact O-OG 3.19Å; I148-S151 PolarHBondContact O-N 2.99Å; S151-F155 WeakPolarHBondContact O-CA 3.29Å; S151-F155 WeakPolarHBondContact O-CB 3.26Å; S151-F155 PolarHBondContact O-N 3.5Å; S151-F155 VanDerWaalsContact O-N 3.08Å; S151-Y156 VanDerWaalsContact O-CD2 3.31Å; S151-Y156 WeakPolarHBondContact O-CD2 3.38Å; S151-Y156 PolarHBondContact O-N 2.85Å; S151-N240 PolarHBondContact OG-ND2 3.26Å |
| 152 | I | 94.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -66.3 | -51.8 | 178.7 | -70.7 | 170.1 | 0 | 0 | 0 | 110.9 | I148 A149 S150 Y156 V157 | I148-I152 HydrophobicContact CG2-CD1 3.66Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CB 3.14Å; I148-I152 VanDerWaalsContact O-CG1 3.26Å; I148-I152 WeakPolarHBondContact O-CG1 3.49Å; I148-I152 PolarHBondContact O-N 2.73Å; A149-I152 PolarHBondContact O-N 3.08Å; S150-I152 VanDerWaalsContact C-N 3.31Å; S150-I152 PolarHBondContact O-N 2.98Å; I152-Y156 HydrophobicContact CG1-CD2 4.31Å; I152-Y156 PolarHBondContact O-N 3.28Å; I152-V157 HydrophobicContact CG2-CG2 3.87Å; I152-V157 WeakPolarHBondContact O-CB 3.48Å; I152-V157 WeakPolarHBondContact O-CG2 3.18Å; I152-V157 PolarHBondContact O-N 3.41Å |
| 153 | V | 93.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 47% | 0.473 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -69.4 | -48.1 | -175.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | T111 A149 S150 P158 | T111-V153 HydrophobicContact CG2-CG1 4.24Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.34Å; S150-V153 PolarHBondContact O-N 2.96Å; V153-P158 VanDerWaalsContact O-CD 3.23Å; V153-P158 WeakPolarHBondContact O-CD 3.41Å |
| 154 | S | 92.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -82.6 | -19.6 | -172.4 | -64.6 | 0 | 0 | 0 | 0 | 114 | T65 I68 S150 | T65-S154 WeakPolarHBondContact OG1-CB 3.26Å; T65-S154 PolarHBondContact OG1-OG 3.42Å; I68-S154 WeakPolarHBondContact CG2-O 3.3Å; S150-S154 WeakPolarHBondContact O-CB 3.24Å; S150-S154 PolarHBondContact O-N 3.03Å; S150-S154 PolarHBondContact O-OG 3.16Å |
| 155 | F | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -132.2 | -59.8 | -176.2 | -177 | -99 | 0 | 0 | 0 | 114 | I68 S151 V157 P158 L159 F229 W233 L234 F237 | I68-F155 HydrophobicContact CD1-CD2 3.58Å; I68-F155 HydrophobicContact CD1-CE2 3.88Å; I68-F155 HydrophobicContact CD1-CG 4.23Å; I68-F155 WeakPolarHBondContact CD1-O 3.15Å; S151-F155 WeakPolarHBondContact O-CA 3.29Å; S151-F155 WeakPolarHBondContact O-CB 3.26Å; S151-F155 PolarHBondContact O-N 3.5Å; S151-F155 VanDerWaalsContact O-N 3.08Å; F155-V157 PolarHBondContact O-N 2.98Å; F155-P158 WeakPolarHBondContact O-CD 3.18Å; F155-L159 HydrophobicContact CD1-CD2 4.46Å; F155-L159 HydrophobicContact CE1-CD2 3.73Å; F155-L159 HydrophobicContact CZ-CD2 4.02Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 PolarHBondContact O-N 3.35Å; F155-F229 HydrophobicContact CD2-CE1 4.34Å; F155-F229 AromaticContact CE2-CE1 3.86Å; F155-F229 HydrophobicContact CE2-CE1 3.86Å; F155-W233 HydrophobicContact CE2-CB 3.56Å; F155-W233 HydrophobicContact CZ-CB 3.98Å; F155-L234 HydrophobicContact CE1-CD1 3.94Å; F155-L234 HydrophobicContact CZ-CB 4.26Å; F155-L234 HydrophobicContact CZ-CD1 4.42Å; F155-F237 HydrophobicContact CB-CD1 3.78Å; F155-F237 HydrophobicContact CB-CD2 4.08Å; F155-F237 HydrophobicContact CB-CE1 3.54Å; F155-F237 HydrophobicContact CB-CE2 3.86Å; F155-F237 HydrophobicContact CB-CG 4.05Å; F155-F237 HydrophobicContact CB-CZ 3.59Å; F155-F237 HydrophobicContact CD1-CB 3.68Å; F155-F237 AromaticContact CD1-CD1 3.95Å; F155-F237 HydrophobicContact CD1-CD1 3.95Å; F155-F237 AromaticContact CD1-CD2 3.51Å; F155-F237 HydrophobicContact CD1-CD2 3.51Å; F155-F237 HydrophobicContact CD1-CE1 4.49Å; F155-F237 HydrophobicContact CD1-CE2 4.11Å; F155-F237 AromaticContact CD1-CG 3.42Å; F155-F237 HydrophobicContact CD1-CG 3.42Å; F155-F237 VanDerWaalsContact CD1-CG 3.42Å; F155-F237 AromaticContact CD2-CD2 3.39Å; F155-F237 HydrophobicContact CD2-CD2 3.39Å; F155-F237 HydrophobicContact CD2-CE1 4.49Å; F155-F237 AromaticContact CD2-CE2 3.22Å; F155-F237 HydrophobicContact CD2-CE2 3.22Å; F155-F237 HydrophobicContact CD2-CG 4.12Å; F155-F237 AromaticContact CD2-CZ 3.84Å; F155-F237 HydrophobicContact CD2-CZ 3.84Å; F155-F237 HydrophobicContact CE1-CB 3.74Å; F155-F237 AromaticContact CE1-CD2 3.65Å; F155-F237 HydrophobicContact CE1-CD2 3.65Å; F155-F237 HydrophobicContact CE1-CE2 4.49Å; F155-F237 AromaticContact CE1-CG 3.8Å; F155-F237 HydrophobicContact CE1-CG 3.8Å; F155-F237 AromaticContact CE2-CD2 3.54Å; F155-F237 HydrophobicContact CE2-CD2 3.54Å; F155-F237 AromaticContact CE2-CE2 3.7Å; F155-F237 HydrophobicContact CE2-CE2 3.7Å; F155-F237 HydrophobicContact CE2-CG 4.44Å; F155-F237 HydrophobicContact CG-CB 4.36Å; F155-F237 AromaticContact CG-CD1 3.89Å; F155-F237 HydrophobicContact CG-CD1 3.89Å; F155-F237 AromaticContact CG-CD2 3.37Å; F155-F237 HydrophobicContact CG-CD2 3.37Å; F155-F237 AromaticContact CG-CE1 3.96Å; F155-F237 HydrophobicContact CG-CE1 3.96Å; F155-F237 AromaticContact CG-CE2 3.47Å; F155-F237 HydrophobicContact CG-CE2 3.47Å; F155-F237 VanDerWaalsContact CG-CE2 3.47Å; F155-F237 AromaticContact CG-CG 3.6Å; F155-F237 HydrophobicContact CG-CG 3.6Å; F155-F237 AromaticContact CG-CZ 3.77Å; F155-F237 HydrophobicContact CG-CZ 3.77Å; F155-F237 HydrophobicContact CZ-CB 4.47Å; F155-F237 AromaticContact CZ-CD2 3.68Å; F155-F237 HydrophobicContact CZ-CD2 3.68Å; F155-F237 HydrophobicContact CZ-CE2 4.31Å; F155-F237 HydrophobicContact CZ-CG 4.3Å |
| 156 | Y | 96.2 | Very high | 94.4 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -67 | -40.7 | -169.9 | -68.8 | -69.9 | 0 | 0 | 0 | 113.8 | S151 I152 L159 V160 L234 F237 I238 I241 | S151-Y156 VanDerWaalsContact O-CD2 3.31Å; S151-Y156 WeakPolarHBondContact O-CD2 3.38Å; S151-Y156 PolarHBondContact O-N 2.85Å; I152-Y156 HydrophobicContact CG1-CD2 4.31Å; I152-Y156 PolarHBondContact O-N 3.28Å; Y156-L159 PolarHBondContact O-N 3.13Å; Y156-V160 VanDerWaalsContact O-CG2 3.3Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.33Å; Y156-L234 HydrophobicContact CE1-CD1 4.24Å; Y156-F237 HydrophobicContact CE2-CB 4.41Å; Y156-F237 PolarHBondContact OH-O 2.87Å; Y156-F237 VanDerWaalsContact OH-O 3.08Å; Y156-I238 PolarHBondContact OH-N 2.84Å; Y156-I241 HydrophobicContact CE2-CD1 4.33Å; Y156-I241 HydrophobicContact CE2-CG1 3.9Å |
| 157 | V | 95.8 | Very high | 94.2 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -53.7 | 177.2 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | I152 F155 L159 V160 V161 | I152-V157 HydrophobicContact CG2-CG2 3.87Å; I152-V157 WeakPolarHBondContact O-CB 3.48Å; I152-V157 WeakPolarHBondContact O-CG2 3.18Å; I152-V157 PolarHBondContact O-N 3.41Å; F155-V157 PolarHBondContact O-N 2.98Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.13Å; V157-V160 PolarHBondContact O-N 3.35Å; V157-V161 WeakPolarHBondContact O-CG2 3.35Å; V157-V161 PolarHBondContact O-N 3.35Å; V157-V161 VanDerWaalsContact O-N 3.09Å |
| 158 | P | 95.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 173.5 | -26.8 | 33.6 | 0 | 0 | 0 | 113.5 | I68 E69 C72 V153 F155 V161 M162 | I68-P158 HydrophobicContact CD1-CB 3.99Å; I68-P158 HydrophobicContact CG1-CB 3.89Å; I68-P158 HydrophobicContact CG2-CB 4.07Å; I68-P158 HydrophobicContact CG2-CG 4.35Å; E69-P158 HydrophobicContact CG-CG 4.46Å; C72-P158 HydrophobicContact CB-CB 4.49Å; V153-P158 VanDerWaalsContact O-CD 3.23Å; V153-P158 WeakPolarHBondContact O-CD 3.41Å; F155-P158 WeakPolarHBondContact O-CD 3.18Å; P158-V161 PolarHBondContact O-N 3.21Å; P158-M162 WeakPolarHBondContact O-CB 3.34Å; P158-M162 PolarHBondContact O-N 3.48Å |
| 159 | L | 96.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 178.9 | -179.5 | 67.9 | 0 | 0 | 0 | 111.7 | I68 F155 Y156 V157 V161 M162 V163 T230 L234 | I68-L159 HydrophobicContact CD1-CB 3.9Å; F155-L159 HydrophobicContact CD1-CD2 4.46Å; F155-L159 HydrophobicContact CE1-CD2 3.73Å; F155-L159 HydrophobicContact CZ-CD2 4.02Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 PolarHBondContact O-N 3.35Å; Y156-L159 PolarHBondContact O-N 3.13Å; V157-L159 VanDerWaalsContact C-N 3.28Å; V157-L159 PolarHBondContact O-N 3.13Å; L159-V161 VanDerWaalsContact C-N 3.34Å; L159-V161 PolarHBondContact O-N 2.82Å; L159-M162 HydrophobicContact CD1-CE 3.83Å; L159-M162 PolarHBondContact O-N 3.49Å; L159-V163 HydrophobicContact CD1-CG2 4.15Å; L159-V163 HydrophobicContact CG-CG2 4.46Å; L159-V163 WeakPolarHBondContact O-CB 3.43Å; L159-V163 VanDerWaalsContact O-CG2 3.3Å; L159-V163 WeakPolarHBondContact O-CG2 3.38Å; L159-V163 PolarHBondContact O-N 2.64Å; L159-T230 HydrophobicContact CD1-CG2 3.75Å; L159-T230 WeakPolarHBondContact CD1-OG1 3.35Å; L159-L234 HydrophobicContact CD2-CD1 4.01Å |
| 160 | V | 96.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | -179.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | Y156 V157 F164 | Y156-V160 VanDerWaalsContact O-CG2 3.3Å; Y156-V160 WeakPolarHBondContact O-CG2 3.49Å; Y156-V160 PolarHBondContact O-N 3.33Å; V157-V160 PolarHBondContact O-N 3.35Å; V160-F164 VanDerWaalsContact O-CB 3.23Å; V160-F164 WeakPolarHBondContact O-CB 3.42Å; V160-F164 PolarHBondContact O-N 3.22Å |
| 161 | V | 95.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | C72 V157 P158 L159 F164 V165 | C72-V161 WeakPolarHBondContact SG-CG1 3.42Å; V157-V161 WeakPolarHBondContact O-CG2 3.35Å; V157-V161 PolarHBondContact O-N 3.35Å; V157-V161 VanDerWaalsContact O-N 3.09Å; P158-V161 PolarHBondContact O-N 3.21Å; L159-V161 VanDerWaalsContact C-N 3.34Å; L159-V161 PolarHBondContact O-N 2.82Å; V161-F164 PolarHBondContact O-N 3.08Å; V161-V165 HydrophobicContact CG1-CG2 4.06Å; V161-V165 WeakPolarHBondContact O-CB 3.46Å; V161-V165 WeakPolarHBondContact O-CG2 3.23Å; V161-V165 PolarHBondContact O-N 3.39Å |
| 162 | M | 94.8 | Very high | 93 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 179.1 | -179.2 | -169.6 | 73.8 | 0 | 0 | 111.4 | L71 C72 A75 P158 L159 F164 V165 Y166 M226 T230 | L71-M162 HydrophobicContact CB-SD 3.66Å; L71-M162 HydrophobicContact CD1-SD 4.36Å; C72-M162 HydrophobicContact CB-CB 4.36Å; A75-M162 HydrophobicContact CB-CG 4.21Å; P158-M162 WeakPolarHBondContact O-CB 3.34Å; P158-M162 PolarHBondContact O-N 3.48Å; L159-M162 HydrophobicContact CD1-CE 3.83Å; L159-M162 PolarHBondContact O-N 3.49Å; M162-F164 PolarHBondContact O-N 2.83Å; M162-V165 PolarHBondContact O-N 3.01Å; M162-Y166 WeakPolarHBondContact O-CB 3.42Å; M162-Y166 PolarHBondContact O-N 3.34Å; M162-M226 HydrophobicContact CE-CB 4.09Å; M162-M226 HydrophobicContact CG-CG 4.29Å; M162-M226 HydrophobicContact CG-SD 3.97Å; M162-M226 HydrophobicContact SD-CB 3.93Å; M162-M226 HydrophobicContact SD-CG 3.76Å; M162-M226 HydrophobicContact SD-SD 4.24Å; M162-T230 WeakPolarHBondContact CE-OG1 3.34Å |
| 163 | V | 94.5 | Very high | 92.5 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 47% | 0.473 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 180 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L159 S167 | L159-V163 HydrophobicContact CD1-CG2 4.15Å; L159-V163 HydrophobicContact CG-CG2 4.46Å; L159-V163 WeakPolarHBondContact O-CB 3.43Å; L159-V163 VanDerWaalsContact O-CG2 3.3Å; L159-V163 WeakPolarHBondContact O-CG2 3.38Å; L159-V163 PolarHBondContact O-N 2.64Å; V163-S167 VanDerWaalsContact O-CB 3.26Å; V163-S167 WeakPolarHBondContact O-CB 3.32Å; V163-S167 PolarHBondContact O-N 2.97Å; V163-S167 PolarHBondContact O-OG 2.73Å |
| 164 | F | 95.3 | Very high | 92 | Very high | 116 Ų | 116 | 51.1 Ų | 51.1 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -54.7 | 178.1 | 173.9 | -101.7 | 0 | 0 | 0 | 111.7 | V160 V161 M162 Y166 S167 R168 | V160-F164 VanDerWaalsContact O-CB 3.23Å; V160-F164 WeakPolarHBondContact O-CB 3.42Å; V160-F164 PolarHBondContact O-N 3.22Å; V161-F164 PolarHBondContact O-N 3.08Å; M162-F164 PolarHBondContact O-N 2.83Å; F164-Y166 VanDerWaalsContact C-N 3.32Å; F164-Y166 PolarHBondContact O-N 3.34Å; F164-S167 PolarHBondContact O-N 3.38Å; F164-S167 PolarHBondContact O-OG 2.96Å; F164-R168 HydrophobicContact CE1-CG 4.42Å; F164-R168 HydrophobicContact CZ-CG 4.31Å; F164-R168 WeakPolarHBondContact O-CG 3.5Å; F164-R168 PolarHBondContact O-N 3.28Å; F164-R168 VanDerWaalsContact O-N 3.12Å |
| 165 | V | 93.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | -177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | A75 V76 Y79 V161 M162 S167 R168 V169 | A75-V165 HydrophobicContact CB-CB 4.3Å; A75-V165 HydrophobicContact CB-CG1 4.08Å; A75-V165 WeakPolarHBondContact O-CG1 3.4Å; V76-V165 HydrophobicContact CG2-CG1 4.27Å; V76-V165 HydrophobicContact CG2-CG2 4.28Å; Y79-V165 HydrophobicContact CG-CG1 4.12Å; V161-V165 HydrophobicContact CG1-CG2 4.06Å; V161-V165 WeakPolarHBondContact O-CB 3.46Å; V161-V165 WeakPolarHBondContact O-CG2 3.23Å; V161-V165 PolarHBondContact O-N 3.39Å; M162-V165 PolarHBondContact O-N 3.01Å; V165-S167 PolarHBondContact O-N 3.28Å; V165-R168 WeakPolarHBondContact O-CB 3.33Å; V165-R168 PolarHBondContact O-N 2.91Å; V165-R168 VanDerWaalsContact O-N 3.17Å; V165-V169 WeakPolarHBondContact O-CG2 3.45Å; V165-V169 PolarHBondContact O-N 3.44Å |
| 166 | Y | 89.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 62 Ų | 62 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.9 | -33.1 | -178.8 | -160.7 | -95.2 | 0 | 0 | 0 | 112.6 | A75 M162 F164 R168 V169 F170 L219 L222 G223 M226 | A75-Y166 HydrophobicContact CB-CD2 4.4Å; M162-Y166 WeakPolarHBondContact O-CB 3.42Å; M162-Y166 PolarHBondContact O-N 3.34Å; F164-Y166 VanDerWaalsContact C-N 3.32Å; F164-Y166 PolarHBondContact O-N 3.34Å; Y166-R168 VanDerWaalsContact C-N 3.29Å; Y166-R168 PolarHBondContact O-N 3.31Å; Y166-V169 HydrophobicContact CD2-CG1 4.49Å; Y166-V169 HydrophobicContact CE2-CG1 4.32Å; Y166-V169 WeakPolarHBondContact O-CB 3.43Å; Y166-V169 PolarHBondContact O-N 2.94Å; Y166-F170 PolarHBondContact O-N 3.01Å; Y166-L219 VanDerWaalsContact OH-C 3.31Å; Y166-L219 PolarHBondContact OH-O 3.35Å; Y166-L222 HydrophobicContact CE2-CB 4.35Å; Y166-G223 VanDerWaalsContact CE1-CA 3.42Å; Y166-G223 WeakPolarHBondContact OH-CA 3.48Å; Y166-G223 PolarHBondContact OH-N 3.24Å; Y166-M226 HydrophobicContact CD1-SD 4.23Å; Y166-M226 HydrophobicContact CD2-CE 3.69Å; Y166-M226 HydrophobicContact CD2-SD 3.24Å; Y166-M226 WeakPolarHBondContact CD2-SD 3.37Å; Y166-M226 HydrophobicContact CE2-CE 3.93Å; Y166-M226 HydrophobicContact CE2-SD 3.71Å; Y166-M226 HydrophobicContact CG-SD 3.54Å; Y166-M226 VanDerWaalsContact CG-SD 3.54Å |
| 167 | S | 90.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 170.3 | 78.5 | 0 | 0 | 0 | 0 | 111.8 | V163 F164 V165 F170 Q171 | V163-S167 VanDerWaalsContact O-CB 3.26Å; V163-S167 WeakPolarHBondContact O-CB 3.32Å; V163-S167 PolarHBondContact O-N 2.97Å; V163-S167 PolarHBondContact O-OG 2.73Å; F164-S167 PolarHBondContact O-N 3.38Å; F164-S167 PolarHBondContact O-OG 2.96Å; V165-S167 PolarHBondContact O-N 3.28Å; S167-F170 PolarHBondContact O-N 3.31Å; S167-Q171 VanDerWaalsContact O-CG 3.3Å; S167-Q171 WeakPolarHBondContact O-CG 3.44Å; S167-Q171 PolarHBondContact O-N 3.36Å |
| 168 | R | 92.2 | Very high | 89.3 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 173.9 | -66.2 | -60.5 | -158 | 176 | 6.8 | 111.6 | Y79 F164 V165 Y166 F170 Q171 V172 | Y79-R168 HydrophobicContact CD2-CB 4.09Å; Y79-R168 HydrophobicContact CE2-CB 3.87Å; F164-R168 HydrophobicContact CE1-CG 4.42Å; F164-R168 HydrophobicContact CZ-CG 4.31Å; F164-R168 WeakPolarHBondContact O-CG 3.5Å; F164-R168 PolarHBondContact O-N 3.28Å; F164-R168 VanDerWaalsContact O-N 3.12Å; V165-R168 WeakPolarHBondContact O-CB 3.33Å; V165-R168 PolarHBondContact O-N 2.91Å; V165-R168 VanDerWaalsContact O-N 3.17Å; Y166-R168 VanDerWaalsContact C-N 3.29Å; Y166-R168 PolarHBondContact O-N 3.31Å; R168-F170 VanDerWaalsContact C-N 3.33Å; R168-F170 PolarHBondContact O-N 3.18Å; R168-Q171 PolarHBondContact O-N 3.37Å; R168-V172 VanDerWaalsContact O-CG2 3.32Å; R168-V172 WeakPolarHBondContact O-CG2 3.3Å; R168-V172 PolarHBondContact O-N 3.04Å |
| 169 | V | 89.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.6 | -51.1 | 173.1 | 162.9 | 0 | 0 | 0 | 0 | 110.7 | R78 Y79 I82 V165 Y166 Q171 V172 A173 L219 | R78-V169 HydrophobicContact CB-CG2 4.35Å; Y79-V169 VanDerWaalsContact CA-CG2 3.49Å; Y79-V169 HydrophobicContact CD2-CG2 4.13Å; Y79-V169 HydrophobicContact CG-CG2 4.42Å; I82-V169 HydrophobicContact CD1-CB 4.44Å; I82-V169 HydrophobicContact CD1-CG1 3.56Å; I82-V169 HydrophobicContact CD1-CG2 4.46Å; V165-V169 WeakPolarHBondContact O-CG2 3.45Å; V165-V169 PolarHBondContact O-N 3.44Å; Y166-V169 HydrophobicContact CD2-CG1 4.49Å; Y166-V169 HydrophobicContact CE2-CG1 4.32Å; Y166-V169 WeakPolarHBondContact O-CB 3.43Å; Y166-V169 PolarHBondContact O-N 2.94Å; V169-Q171 PolarHBondContact O-N 3.16Å; V169-V172 PolarHBondContact O-N 2.68Å; V169-A173 WeakPolarHBondContact O-CB 3.28Å; V169-A173 PolarHBondContact O-N 3.4Å; V169-L219 HydrophobicContact CG1-CD1 4.34Å; V169-L219 HydrophobicContact CG1-CD2 3.86Å |
| 170 | F | 86.9 | Confident | 87.6 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | -179.4 | -170.3 | -99.1 | 0 | 0 | 0 | 112.3 | Y166 S167 R168 A173 K174 | Y166-F170 PolarHBondContact O-N 3.01Å; S167-F170 PolarHBondContact O-N 3.31Å; R168-F170 VanDerWaalsContact C-N 3.33Å; R168-F170 PolarHBondContact O-N 3.18Å; F170-A173 PolarHBondContact O-N 3.4Å; F170-K174 WeakPolarHBondContact O-CB 3.48Å; F170-K174 PolarHBondContact O-N 3.23Å |
| 171 | Q | 88.8 | Confident | 86.5 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.4 | -73.5 | 174.6 | 15.2 | 0 | 0 | 112.3 | S167 R168 V169 K174 R175 | S167-Q171 VanDerWaalsContact O-CG 3.3Å; S167-Q171 WeakPolarHBondContact O-CG 3.44Å; S167-Q171 PolarHBondContact O-N 3.36Å; R168-Q171 PolarHBondContact O-N 3.37Å; V169-Q171 PolarHBondContact O-N 3.16Å; Q171-K174 PolarHBondContact O-N 3.48Å; Q171-R175 VanDerWaalsContact O-CG 3.31Å; Q171-R175 WeakPolarHBondContact O-CG 3.33Å; Q171-R175 PolarHBondContact O-N 3.42Å |
| 172 | V | 87.2 | Confident | 85.4 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 22% | 0.218 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | -180 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | I82 T83 R168 V169 K174 R175 Q176 | I82-V172 HydrophobicContact CG2-CB 4.27Å; I82-V172 HydrophobicContact CG2-CG1 3.55Å; T83-V172 HydrophobicContact CG2-CG2 4.5Å; R168-V172 VanDerWaalsContact O-CG2 3.32Å; R168-V172 WeakPolarHBondContact O-CG2 3.3Å; R168-V172 PolarHBondContact O-N 3.04Å; V169-V172 PolarHBondContact O-N 2.68Å; V172-K174 PolarHBondContact O-N 2.82Å; V172-R175 PolarHBondContact O-N 3.43Å; V172-Q176 PolarHBondContact O-N 2.69Å |
| 173 | A | 83.7 | Confident | 84 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V169 F170 R175 Q176 L177 L219 | V169-A173 WeakPolarHBondContact O-CB 3.28Å; V169-A173 PolarHBondContact O-N 3.4Å; F170-A173 PolarHBondContact O-N 3.4Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 2.97Å; A173-Q176 PolarHBondContact O-N 2.94Å; A173-Q176 VanDerWaalsContact O-N 3.16Å; A173-L177 PolarHBondContact O-N 3.14Å; A173-L219 HydrophobicContact CB-CD1 3.84Å |
| 174 | K | 84.6 | Confident | 82.6 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.9 | -172.4 | 175.1 | -177.5 | 177.7 | 0 | 112 | F170 Q171 V172 L177 Q178 | F170-K174 WeakPolarHBondContact O-CB 3.48Å; F170-K174 PolarHBondContact O-N 3.23Å; Q171-K174 PolarHBondContact O-N 3.48Å; V172-K174 PolarHBondContact O-N 2.82Å; K174-L177 PolarHBondContact O-N 3.11Å; K174-Q178 WeakPolarHBondContact O-CG 3.45Å; K174-Q178 PolarHBondContact O-N 3.5Å |
| 175 | R | 84.5 | Confident | 80.9 | Confident | 153 Ų | 153 | 74 Ų | 74 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 175.6 | -73.9 | 174.5 | -176.5 | 177.1 | 1.8 | 112.3 | Q171 V172 A173 K179 | Q171-R175 VanDerWaalsContact O-CG 3.31Å; Q171-R175 WeakPolarHBondContact O-CG 3.33Å; Q171-R175 PolarHBondContact O-N 3.42Å; V172-R175 PolarHBondContact O-N 3.43Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 2.97Å; R175-K179 WeakPolarHBondContact O-CG 3.46Å; R175-K179 PolarHBondContact O-N 3.35Å |
| 176 | Q | 79.5 | Confident | 79.2 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 176.3 | -72.6 | -163.8 | -10.3 | 0 | 0 | 111.6 | V172 A173 Q178 K179 I180 | V172-Q176 PolarHBondContact O-N 2.69Å; A173-Q176 PolarHBondContact O-N 2.94Å; A173-Q176 VanDerWaalsContact O-N 3.16Å; Q176-Q178 PolarHBondContact O-N 3.09Å; Q176-K179 PolarHBondContact O-N 3.21Å; Q176-I180 WeakPolarHBondContact O-CG1 3.45Å; Q176-I180 PolarHBondContact O-N 2.58Å |
| 177 | L | 77.8 | Confident | 77.5 | Confident | 42 Ų | 42 | 85.7 Ų | 85.7 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.6 | -73.9 | 168.7 | 0 | 0 | 0 | 112.7 | A173 K174 K179 I180 D181 H216 | A173-L177 PolarHBondContact O-N 3.14Å; K174-L177 PolarHBondContact O-N 3.11Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.88Å; L177-I180 PolarHBondContact O-N 3.26Å; L177-I180 VanDerWaalsContact O-N 3.15Å; L177-D181 WeakPolarHBondContact O-CB 3.36Å; L177-D181 PolarHBondContact O-N 3.4Å; L177-H216 HydrophobicContact CD1-CB 4.29Å; L177-H216 WeakPolarHBondContact CD1-CE1 3.48Å; L177-H216 VanDerWaalsContact CD1-ND1 3.29Å; L177-H216 WeakPolarHBondContact CD1-ND1 3.41Å |
| 178 | Q | 80.8 | Confident | 75.6 | Confident | 105 Ų | 105 | 90.9 Ų | 90.9 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 176.3 | -74.8 | 177.6 | -20 | 0 | 0 | 112.9 | K174 Q176 K182 | K174-Q178 WeakPolarHBondContact O-CG 3.45Å; K174-Q178 PolarHBondContact O-N 3.5Å; Q176-Q178 PolarHBondContact O-N 3.09Å; Q178-K182 WeakPolarHBondContact O-CB 3.46Å; Q178-K182 VanDerWaalsContact O-CG 3.3Å; Q178-K182 WeakPolarHBondContact O-CG 3.37Å; Q178-K182 PolarHBondContact O-N 2.97Å; Q178-K182 VanDerWaalsContact O-N 3.09Å |
| 179 | K | 80.2 | Confident | 73.7 | Confident | 157 Ų | 157 | 89.1 Ų | 89.1 | 68% | 0.683 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | 174.8 | -72.9 | 179 | 179.8 | -174.8 | 0 | 111.7 | R175 Q176 L177 S183 | R175-K179 WeakPolarHBondContact O-CG 3.46Å; R175-K179 PolarHBondContact O-N 3.35Å; Q176-K179 PolarHBondContact O-N 3.21Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.88Å; K179-S183 WeakPolarHBondContact O-CB 3.27Å; K179-S183 PolarHBondContact O-N 3.28Å; K179-S183 PolarHBondContact O-OG 3.19Å |
| 180 | I | 74.8 | Confident | 71.8 | Confident | 38 Ų | 38 | 94.2 Ų | 94.2 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 177.3 | -65.7 | 164.4 | 0 | 0 | 0 | 110.2 | Q176 L177 K182 S183 E184 C212 | Q176-I180 WeakPolarHBondContact O-CG1 3.45Å; Q176-I180 PolarHBondContact O-N 2.58Å; L177-I180 PolarHBondContact O-N 3.26Å; L177-I180 VanDerWaalsContact O-N 3.15Å; I180-K182 PolarHBondContact O-N 3.22Å; I180-S183 WeakPolarHBondContact CA-OG 3.48Å; I180-S183 WeakPolarHBondContact O-CA 3.49Å; I180-S183 WeakPolarHBondContact O-CB 3.33Å; I180-S183 PolarHBondContact O-N 2.9Å; I180-S183 PolarHBondContact O-OG 3.09Å; I180-E184 PolarHBondContact O-N 3.41Å; I180-C212 HydrophobicContact CD1-CB 3.67Å; I180-C212 WeakPolarHBondContact CD1-SG 3.5Å |
| 181 | D | 73 | Confident | 69.8 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 178 | -173.2 | 56.6 | 0 | 0 | 0 | 112 | L177 S183 E184 G185 | L177-D181 WeakPolarHBondContact O-CB 3.36Å; L177-D181 PolarHBondContact O-N 3.4Å; D181-S183 VanDerWaalsContact C-N 3.27Å; D181-S183 PolarHBondContact O-N 2.91Å; D181-E184 PolarHBondContact O-N 3.11Å; D181-G185 PolarHBondContact O-N 3.37Å |
| 182 | K | 72.3 | Confident | 68 | Low | 152 Ų | 152 | 97.6 Ų | 97.6 | 66% | 0.661 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.2 | -32.5 | 172.1 | -77.8 | -178.2 | 180 | -174.3 | 0 | 113.3 | Q178 I180 R186 | Q178-K182 WeakPolarHBondContact O-CB 3.46Å; Q178-K182 VanDerWaalsContact O-CG 3.3Å; Q178-K182 WeakPolarHBondContact O-CG 3.37Å; Q178-K182 PolarHBondContact O-N 2.97Å; Q178-K182 VanDerWaalsContact O-N 3.09Å; I180-K182 PolarHBondContact O-N 3.22Å; K182-R186 WeakPolarHBondContact O-CG 3.26Å; K182-R186 PolarHBondContact O-N 3.28Å |
| 183 | S | 66.6 | Low | 66.1 | Low | 39 Ų | 39 | 100.2 Ų | 100.2 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.4 | -44.5 | 176.2 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | K179 I180 D181 G185 R186 F187 | K179-S183 WeakPolarHBondContact O-CB 3.27Å; K179-S183 PolarHBondContact O-N 3.28Å; K179-S183 PolarHBondContact O-OG 3.19Å; I180-S183 WeakPolarHBondContact CA-OG 3.48Å; I180-S183 WeakPolarHBondContact O-CA 3.49Å; I180-S183 WeakPolarHBondContact O-CB 3.33Å; I180-S183 PolarHBondContact O-N 2.9Å; I180-S183 PolarHBondContact O-OG 3.09Å; D181-S183 VanDerWaalsContact C-N 3.27Å; D181-S183 PolarHBondContact O-N 2.91Å; S183-G185 PolarHBondContact O-N 2.98Å; S183-R186 PolarHBondContact O-N 3.38Å; S183-F187 WeakPolarHBondContact O-CD2 3.34Å; S183-F187 PolarHBondContact O-N 2.96Å |
| 184 | E | 65.4 | Low | 64.2 | Low | 77 Ų | 77 | 106.8 Ų | 106.8 | 36% | 0.36 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.5 | -77 | -176.4 | 169.8 | 0 | 0 | 111.9 | I180 D181 R186 F187 H188 S209 | I180-E184 PolarHBondContact O-N 3.41Å; D181-E184 PolarHBondContact O-N 3.11Å; E184-R186 PolarHBondContact O-N 2.91Å; E184-F187 PolarHBondContact O-N 3.01Å; E184-H188 PolarHBondContact O-N 3.28Å; E184-S209 VanDerWaalsContact OE1-CB 3.27Å; E184-S209 WeakPolarHBondContact OE1-CB 3.24Å; E184-S209 PolarHBondContact OE1-OG 2.83Å |
| 185 | G | 59 | Low | 62.3 | Low | 45 Ų | 45 | 107.8 Ų | 107.8 | 46% | 0.464 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D181 S183 A189 | D181-G185 PolarHBondContact O-N 3.37Å; S183-G185 PolarHBondContact O-N 2.98Å; G185-A189 PolarHBondContact O-N 3.44Å |
| 186 | R | 56.4 | Low | 60.4 | Low | 190 Ų | 190 | 108.7 Ų | 108.7 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 173.1 | -79.6 | -178.7 | -173.8 | -174.9 | 0.2 | 112.3 | K182 S183 E184 A189 Q190 | K182-R186 WeakPolarHBondContact O-CG 3.26Å; K182-R186 PolarHBondContact O-N 3.28Å; S183-R186 PolarHBondContact O-N 3.38Å; E184-R186 PolarHBondContact O-N 2.91Å; R186-A189 PolarHBondContact O-N 3.08Å; R186-Q190 PolarHBondContact O-N 3.44Å |
| 187 | F | 53.1 | Low | 58.7 | Low | 103 Ų | 103 | 113.8 Ų | 113.8 | 45% | 0.452 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.4 | -34.1 | 177 | -79.4 | -71.4 | 0 | 0 | 0 | 112.6 | S183 E184 A189 Q190 N191 L205 | S183-F187 WeakPolarHBondContact O-CD2 3.34Å; S183-F187 PolarHBondContact O-N 2.96Å; E184-F187 PolarHBondContact O-N 3.01Å; F187-A189 VanDerWaalsContact C-N 3.35Å; F187-Q190 PolarHBondContact O-N 2.97Å; F187-N191 WeakPolarHBondContact O-CB 3.17Å; F187-N191 PolarHBondContact O-N 3.31Å; F187-L205 HydrophobicContact CD2-CD2 4.04Å; F187-L205 HydrophobicContact CE2-CD2 4.05Å |
| 188 | H | 51.6 | Low | 56.9 | Low | 154 Ų | 154 | 118.4 Ų | 118.4 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.6 | -33.3 | 175.6 | -126.3 | -43.2 | 0 | 0 | 0 | 112.7 | E184 | E184-H188 PolarHBondContact O-N 3.28Å |
| 189 | A | 52.1 | Low | 55.2 | Low | 72 Ų | 72 | 117.7 Ų | 117.7 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -35.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G185 R186 F187 | G185-A189 PolarHBondContact O-N 3.44Å; R186-A189 PolarHBondContact O-N 3.08Å; F187-A189 VanDerWaalsContact C-N 3.35Å |
| 190 | Q | 49.3 | Very low | 53.6 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.3 | -33.4 | 175.1 | -87.5 | 179.7 | -44 | 0 | 0 | 113.8 | R186 F187 L192 S193 Q194 | R186-Q190 PolarHBondContact O-N 3.44Å; F187-Q190 PolarHBondContact O-N 2.97Å; Q190-L192 PolarHBondContact O-N 3.38Å; Q190-S193 CarbonylContact O-C 3.59Å; Q190-S193 WeakPolarHBondContact O-CA 3.38Å; Q190-S193 PolarHBondContact O-N 3.47Å; Q190-S193 PolarHBondContact O-OG 2.93Å; Q190-Q194 PolarHBondContact O-N 3.37Å |
| 191 | N | 45.4 | Very low | 52.3 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.3 | -17.7 | 176.8 | -85.2 | -6.7 | 0 | 0 | 0 | 113.4 | F187 S193 | F187-N191 WeakPolarHBondContact O-CB 3.17Å; F187-N191 PolarHBondContact O-N 3.31Å; N191-S193 PolarHBondContact O-N 3.09Å |
| 192 | L | 50.6 | Low | 51.2 | Low | 162 Ų | 162 | 121.4 Ų | 121.4 | 85% | 0.848 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -11.6 | 169.8 | -151.8 | 72.2 | 0 | 0 | 0 | 112.3 | Q190 | Q190-L192 PolarHBondContact O-N 3.38Š|
| 193 | S | 46.8 | Very low | 50.3 | Low | 90 Ų | 90 | 121.9 Ų | 121.9 | 63% | 0.629 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -6 | 179.5 | 41.3 | 0 | 0 | 0 | 0 | 114.8 | Q190 N191 | Q190-S193 CarbonylContact O-C 3.59Å; Q190-S193 WeakPolarHBondContact O-CA 3.38Å; Q190-S193 PolarHBondContact O-N 3.47Å; Q190-S193 PolarHBondContact O-OG 2.93Å; N191-S193 PolarHBondContact O-N 3.09Å |
| 194 | Q | 44.4 | Very low | 49.7 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | -140.5 | 88.5 | 177.5 | -75.7 | -175.1 | -29.9 | 0 | 0 | 110.7 | Q190 E196 | Q190-Q194 PolarHBondContact O-N 3.37Å; Q194-E196 VanDerWaalsContact C-N 3.35Å | ||
| 195 | V | 43.8 | Very low | 49.1 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -86.4 | -2 | 174.5 | 168 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 196 | E | 44.7 | Very low | 48.9 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -125 | 129.1 | -178.1 | -72.1 | -177.8 | 142.1 | 0 | 0 | 112.4 | Q194 | Q194-E196 VanDerWaalsContact C-N 3.35Š|
| 197 | Q | 44.8 | Very low | 48.9 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 78.1 | 83.4 | 167.8 | -62.2 | 176.5 | -9.2 | 0 | 0 | 117.9 | ||
| 198 | D | 39.5 | Very low | 49.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | 166.8 | 106.7 | 106.4 | -105.3 | -21.1 | 0 | 0 | 0 | 111.8 | R200 | D198-R200 PolarHBondContact O-N 2.86Š| |||
| 199 | G | 45.6 | Very low | 49.7 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 92% | 0.918 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 19.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 200 | R | 46.7 | Very low | 50 | Low | 236 Ų | 236 | 124.5 Ų | 124.5 | 89% | 0.891 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -11.8 | -172.7 | -79.1 | 179.5 | 169.3 | 174.5 | -2.8 | 116.1 | D198 | D198-R200 PolarHBondContact O-N 2.86Š|
| 201 | S | 47 | Very low | 50.6 | Low | 96 Ų | 96 | 125.5 Ų | 125.5 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -93.9 | -15.1 | -169.6 | -45.1 | 0 | 0 | 0 | 0 | 115.1 | H203 | S201-H203 PolarHBondContact O-N 3.04Š|
| 202 | G | 50.7 | Low | 51.5 | Low | 56 Ų | 56 | 121.3 Ų | 121.3 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.2 | -14 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R206 | G202-R206 WeakPolarHBondContact O-CB 3.45Å; G202-R206 PolarHBondContact O-N 3.4Å |
| 203 | H | 52 | Low | 52.2 | Low | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.3 | -30.2 | -171 | -129.4 | -79.4 | 0 | 0 | 0 | 113.6 | S201 R207 | S201-H203 PolarHBondContact O-N 3.04Å; H203-R207 WeakPolarHBondContact O-CB 3.27Å; H203-R207 PolarHBondContact O-N 3.47Å |
| 204 | G | 54.3 | Low | 53.2 | Low | 53 Ų | 53 | 120.1 Ų | 120.1 | 55% | 0.546 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.4 | -43.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R207 S208 | G204-R207 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-N 2.63Å |
| 205 | L | 53.7 | Low | 54.5 | Low | 84 Ų | 84 | 117.3 Ų | 117.3 | 44% | 0.44 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.9 | -42.3 | -178.3 | -148.5 | 74.9 | 0 | 0 | 0 | 111.8 | F187 R207 S208 S209 | F187-L205 HydrophobicContact CD2-CD2 4.04Å; F187-L205 HydrophobicContact CE2-CD2 4.05Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.81Å; L205-S208 WeakPolarHBondContact O-CB 3.1Å; L205-S208 PolarHBondContact O-N 3.33Å; L205-S209 PolarHBondContact O-N 3.08Å |
| 206 | R | 55.3 | Low | 55.9 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.7 | -29.3 | 176.2 | -157.8 | 175.6 | -178.7 | -168.6 | 1.5 | 112.5 | G202 K210 | G202-R206 WeakPolarHBondContact O-CB 3.45Å; G202-R206 PolarHBondContact O-N 3.4Å; R206-K210 WeakPolarHBondContact O-CB 3.19Å; R206-K210 WeakPolarHBondContact O-CG 3.2Å; R206-K210 PolarHBondContact O-N 3.07Å |
| 207 | R | 56.3 | Low | 57.5 | Low | 198 Ų | 198 | 112.6 Ų | 112.6 | 75% | 0.747 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.9 | -38 | 173.9 | -167.4 | 175.4 | 179.1 | 174.7 | -1.1 | 111.9 | H203 G204 L205 F211 | H203-R207 WeakPolarHBondContact O-CB 3.27Å; H203-R207 PolarHBondContact O-N 3.47Å; G204-R207 PolarHBondContact O-N 3.31Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.81Å; R207-F211 WeakPolarHBondContact O-CB 3.18Å; R207-F211 PolarHBondContact O-N 3.08Å |
| 208 | S | 58.8 | Low | 59 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.3 | -45.4 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | G204 L205 F211 C212 | G204-S208 PolarHBondContact O-N 2.63Å; L205-S208 WeakPolarHBondContact O-CB 3.1Å; L205-S208 PolarHBondContact O-N 3.33Å; S208-F211 PolarHBondContact O-N 2.71Å; S208-C212 PolarHBondContact O-N 2.9Å |
| 209 | S | 60.9 | Low | 61.1 | Low | 16 Ų | 16 | 100.4 Ų | 100.4 | 11% | 0.112 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | E184 L205 F211 C212 L213 | E184-S209 VanDerWaalsContact OE1-CB 3.27Å; E184-S209 WeakPolarHBondContact OE1-CB 3.24Å; E184-S209 PolarHBondContact OE1-OG 2.83Å; L205-S209 PolarHBondContact O-N 3.08Å; S209-F211 VanDerWaalsContact C-N 3.35Å; S209-F211 PolarHBondContact O-N 3.17Å; S209-C212 PolarHBondContact O-N 3.12Å; S209-L213 WeakPolarHBondContact O-CB 3.34Å; S209-L213 WeakPolarHBondContact O-CD1 3.41Å; S209-L213 PolarHBondContact O-N 3.16Å |
| 210 | K | 59.6 | Low | 63 | Low | 136 Ų | 136 | 103.4 Ų | 103.4 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -36.5 | 174.5 | -77.3 | -178.8 | 179.5 | -176.6 | 0 | 113.8 | R206 K214 | R206-K210 WeakPolarHBondContact O-CB 3.19Å; R206-K210 WeakPolarHBondContact O-CG 3.2Å; R206-K210 PolarHBondContact O-N 3.07Å; K210-K214 WeakPolarHBondContact O-CB 3.3Å; K210-K214 PolarHBondContact O-N 3.32Å; K210-K214 VanDerWaalsContact O-N 3.13Å |
| 211 | F | 61.6 | Low | 64.9 | Low | 127 Ų | 127 | 94.5 Ų | 94.5 | 56% | 0.557 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.8 | -46.9 | 176.6 | -179 | -95.2 | 0 | 0 | 0 | 111.2 | R207 S208 S209 L213 K214 E215 | R207-F211 WeakPolarHBondContact O-CB 3.18Å; R207-F211 PolarHBondContact O-N 3.08Å; S208-F211 PolarHBondContact O-N 2.71Å; S209-F211 VanDerWaalsContact C-N 3.35Å; S209-F211 PolarHBondContact O-N 3.17Å; F211-L213 PolarHBondContact O-N 3.41Å; F211-K214 WeakPolarHBondContact O-CB 3.41Å; F211-K214 PolarHBondContact O-N 3.1Å; F211-K214 VanDerWaalsContact O-N 3.15Å; F211-E215 HydrophobicContact CD1-CG 4.48Å; F211-E215 VanDerWaalsContact CE1-CD 3.4Å; F211-E215 HydrophobicContact CE1-CG 4.05Å; F211-E215 WeakPolarHBondContact CE1-OE1 3.22Å; F211-E215 HydrophobicContact CZ-CG 4.24Å; F211-E215 WeakPolarHBondContact CZ-OE1 3.5Å; F211-E215 PolarHBondContact O-N 2.85Å |
| 212 | C | 64.9 | Low | 66.8 | Low | 15 Ų | 15 | 90.7 Ų | 90.7 | 10% | 0.101 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 177 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | I180 S208 S209 K214 E215 H216 | I180-C212 HydrophobicContact CD1-CB 3.67Å; I180-C212 WeakPolarHBondContact CD1-SG 3.5Å; S208-C212 PolarHBondContact O-N 2.9Å; S209-C212 PolarHBondContact O-N 3.12Å; C212-K214 VanDerWaalsContact C-N 3.31Å; C212-K214 PolarHBondContact O-N 3.32Å; C212-E215 PolarHBondContact O-N 3.36Å; C212-H216 WeakPolarHBondContact O-CB 3.44Å; C212-H216 PolarHBondContact O-N 2.86Å |
| 213 | L | 65.4 | Low | 68.6 | Low | 89 Ų | 89 | 89 Ų | 89 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 173.8 | -89 | 149.1 | 0 | 0 | 0 | 112.7 | S209 F211 H216 K217 | S209-L213 WeakPolarHBondContact O-CB 3.34Å; S209-L213 WeakPolarHBondContact O-CD1 3.41Å; S209-L213 PolarHBondContact O-N 3.16Å; F211-L213 PolarHBondContact O-N 3.41Å; L213-H216 PolarHBondContact O-N 3.24Å; L213-K217 WeakPolarHBondContact O-CG 3.37Å; L213-K217 PolarHBondContact O-N 3.44Å; L213-K217 VanDerWaalsContact O-N 3.11Å |
| 214 | K | 67.3 | Low | 70.5 | Confident | 138 Ų | 138 | 85 Ų | 85 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.2 | -41.3 | 177.2 | -170.2 | -180 | 177.9 | -176.2 | 0 | 111.7 | K210 F211 C212 H216 K217 A218 | K210-K214 WeakPolarHBondContact O-CB 3.3Å; K210-K214 PolarHBondContact O-N 3.32Å; K210-K214 VanDerWaalsContact O-N 3.13Å; F211-K214 WeakPolarHBondContact O-CB 3.41Å; F211-K214 PolarHBondContact O-N 3.1Å; F211-K214 VanDerWaalsContact O-N 3.15Å; C212-K214 VanDerWaalsContact C-N 3.31Å; C212-K214 PolarHBondContact O-N 3.32Å; K214-H216 VanDerWaalsContact C-N 3.33Å; K214-K217 PolarHBondContact O-N 3.49Å; K214-A218 PolarHBondContact O-N 3.13Å; K214-A218 VanDerWaalsContact O-N 3.15Å |
| 215 | E | 70.8 | Confident | 72.2 | Confident | 86 Ų | 86 | 82.6 Ų | 82.6 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 173.4 | -74.1 | -168.1 | 145.2 | 0 | 0 | 111.6 | F211 C212 K217 A218 L219 | F211-E215 HydrophobicContact CD1-CG 4.48Å; F211-E215 VanDerWaalsContact CE1-CD 3.4Å; F211-E215 HydrophobicContact CE1-CG 4.05Å; F211-E215 WeakPolarHBondContact CE1-OE1 3.22Å; F211-E215 HydrophobicContact CZ-CG 4.24Å; F211-E215 WeakPolarHBondContact CZ-OE1 3.5Å; F211-E215 PolarHBondContact O-N 2.85Å; C212-E215 PolarHBondContact O-N 3.36Å; E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 2.9Å; E215-A218 PolarHBondContact O-N 3.29Å; E215-L219 WeakPolarHBondContact O-CG 3.37Å; E215-L219 PolarHBondContact O-N 2.94Å |
| 216 | H | 74.8 | Confident | 74.1 | Confident | 54 Ų | 54 | 79 Ų | 79 | 25% | 0.25 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 178.1 | -160.4 | -132 | 0 | 0 | 0 | 113 | L177 C212 L213 K214 L219 K220 | L177-H216 HydrophobicContact CD1-CB 4.29Å; L177-H216 WeakPolarHBondContact CD1-CE1 3.48Å; L177-H216 VanDerWaalsContact CD1-ND1 3.29Å; L177-H216 WeakPolarHBondContact CD1-ND1 3.41Å; C212-H216 WeakPolarHBondContact O-CB 3.44Å; C212-H216 PolarHBondContact O-N 2.86Å; L213-H216 PolarHBondContact O-N 3.24Å; K214-H216 VanDerWaalsContact C-N 3.33Å; H216-L219 PolarHBondContact O-N 3.27Å; H216-K220 PolarHBondContact O-N 3.05Å |
| 217 | K | 76.9 | Confident | 75.9 | Confident | 154 Ų | 154 | 71.9 Ų | 71.9 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 171.7 | -75.1 | -177.6 | 179.9 | -173 | 0 | 111.7 | L213 K214 E215 L219 K220 T221 | L213-K217 WeakPolarHBondContact O-CG 3.37Å; L213-K217 PolarHBondContact O-N 3.44Å; L213-K217 VanDerWaalsContact O-N 3.11Å; K214-K217 PolarHBondContact O-N 3.49Å; E215-K217 VanDerWaalsContact C-N 3.33Å; E215-K217 PolarHBondContact O-N 2.9Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.97Å; K217-K220 WeakPolarHBondContact O-CB 3.5Å; K217-K220 PolarHBondContact O-N 2.91Å; K217-T221 PolarHBondContact O-N 3.17Å; K217-T221 VanDerWaalsContact O-N 3.09Å; K217-T221 PolarHBondContact O-OG1 3.37Å |
| 218 | A | 76.9 | Confident | 77.7 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | K214 E215 T221 L222 | K214-A218 PolarHBondContact O-N 3.13Å; K214-A218 VanDerWaalsContact O-N 3.15Å; E215-A218 PolarHBondContact O-N 3.29Å; A218-T221 PolarHBondContact O-N 2.95Å; A218-L222 WeakPolarHBondContact O-CG 3.49Å; A218-L222 PolarHBondContact O-N 3.01Å; A218-L222 VanDerWaalsContact O-N 3.13Å |
| 219 | L | 83 | Confident | 79.4 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -52.2 | 172.2 | -67.6 | 173 | 0 | 0 | 0 | 110.5 | R78 I82 Y166 V169 A173 E215 H216 K217 T221 L222 G223 | R78-L219 HydrophobicContact CB-CD2 4.28Å; R78-L219 HydrophobicContact CG-CD2 4.27Å; I82-L219 HydrophobicContact CD1-CD1 3.62Å; I82-L219 HydrophobicContact CD1-CD2 3.83Å; I82-L219 HydrophobicContact CD1-CG 4.35Å; Y166-L219 VanDerWaalsContact OH-C 3.31Å; Y166-L219 PolarHBondContact OH-O 3.35Å; V169-L219 HydrophobicContact CG1-CD1 4.34Å; V169-L219 HydrophobicContact CG1-CD2 3.86Å; A173-L219 HydrophobicContact CB-CD1 3.84Å; E215-L219 WeakPolarHBondContact O-CG 3.37Å; E215-L219 PolarHBondContact O-N 2.94Å; H216-L219 PolarHBondContact O-N 3.27Å; K217-L219 VanDerWaalsContact C-N 3.31Å; K217-L219 PolarHBondContact O-N 2.97Å; L219-T221 PolarHBondContact O-N 3.13Å; L219-T221 VanDerWaalsContact O-N 3.16Å; L219-L222 WeakPolarHBondContact O-CA 3.43Å; L219-L222 WeakPolarHBondContact O-CB 3.1Å; L219-L222 PolarHBondContact O-N 2.95Å; L219-G223 PolarHBondContact O-N 3.33Å |
| 220 | K | 85.9 | Confident | 81 | Confident | 151 Ų | 151 | 61 Ų | 61 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -50.8 | -44.6 | 178.2 | -173.1 | -177.9 | 177.7 | -176 | 0 | 112.2 | H216 K217 G223 I224 | H216-K220 PolarHBondContact O-N 3.05Å; K217-K220 WeakPolarHBondContact O-CB 3.5Å; K217-K220 PolarHBondContact O-N 2.91Å; K220-G223 PolarHBondContact O-N 2.71Å; K220-I224 HydrophobicContact CG-CD1 4.23Å; K220-I224 WeakPolarHBondContact O-CG1 3.36Å; K220-I224 PolarHBondContact O-N 2.98Å |
| 221 | T | 86.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 31% | 0.307 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | K217 A218 L219 G223 I224 I225 I272 | K217-T221 PolarHBondContact O-N 3.17Å; K217-T221 VanDerWaalsContact O-N 3.09Å; K217-T221 PolarHBondContact O-OG1 3.37Å; A218-T221 PolarHBondContact O-N 2.95Å; L219-T221 PolarHBondContact O-N 3.13Å; L219-T221 VanDerWaalsContact O-N 3.16Å; T221-G223 VanDerWaalsContact C-N 3.27Å; T221-G223 PolarHBondContact O-N 3.12Å; T221-I224 WeakPolarHBondContact O-CB 3.19Å; T221-I224 PolarHBondContact O-N 3.5Å; T221-I225 HydrophobicContact CG2-CD1 4.28Å; T221-I225 WeakPolarHBondContact O-CG1 3.47Å; T221-I225 PolarHBondContact O-N 3.36Å; T221-I272 HydrophobicContact CG2-CG2 3.88Å; T221-I272 WeakPolarHBondContact CG2-O 3.32Å |
| 222 | L | 86.2 | Confident | 84.3 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 176.1 | -65.6 | 176.6 | 0 | 0 | 0 | 112.7 | T15 I19 I74 R78 Y166 A218 L219 I225 M226 | T15-L222 HydrophobicContact CG2-CD1 4.35Å; I19-L222 HydrophobicContact CD1-CD2 4.45Å; I74-L222 HydrophobicContact CG2-CD1 4.13Å; I74-L222 HydrophobicContact CG2-CD2 4.13Å; R78-L222 HydrophobicContact CG-CD1 3.62Å; Y166-L222 HydrophobicContact CE2-CB 4.35Å; A218-L222 WeakPolarHBondContact O-CG 3.49Å; A218-L222 PolarHBondContact O-N 3.01Å; A218-L222 VanDerWaalsContact O-N 3.13Å; L219-L222 WeakPolarHBondContact O-CA 3.43Å; L219-L222 WeakPolarHBondContact O-CB 3.1Å; L219-L222 PolarHBondContact O-N 2.95Å; L222-I225 HydrophobicContact CD2-CD1 4.17Å; L222-I225 PolarHBondContact O-N 3.36Å; L222-M226 WeakPolarHBondContact O-CG 3.36Å; L222-M226 PolarHBondContact O-N 2.92Å |
| 223 | G | 89.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y166 L219 K220 T221 G227 | Y166-G223 VanDerWaalsContact CE1-CA 3.42Å; Y166-G223 WeakPolarHBondContact OH-CA 3.48Å; Y166-G223 PolarHBondContact OH-N 3.24Å; L219-G223 PolarHBondContact O-N 3.33Å; K220-G223 PolarHBondContact O-N 2.71Å; T221-G223 VanDerWaalsContact C-N 3.27Å; T221-G223 PolarHBondContact O-N 3.12Å; G223-G227 PolarHBondContact O-N 3.42Å |
| 224 | I | 91.5 | Very high | 87.3 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 171.8 | -67.3 | 164.5 | 0 | 0 | 0 | 109.6 | K220 T221 M226 G227 T228 I272 | K220-I224 HydrophobicContact CG-CD1 4.23Å; K220-I224 WeakPolarHBondContact O-CG1 3.36Å; K220-I224 PolarHBondContact O-N 2.98Å; T221-I224 WeakPolarHBondContact O-CB 3.19Å; T221-I224 PolarHBondContact O-N 3.5Å; I224-M226 PolarHBondContact O-N 3.5Å; I224-G227 PolarHBondContact O-N 2.96Å; I224-T228 WeakPolarHBondContact O-CB 3.35Å; I224-T228 PolarHBondContact O-N 2.88Å; I224-T228 PolarHBondContact O-OG1 3.42Å; I224-I272 HydrophobicContact CB-CG2 4.34Å; I224-I272 HydrophobicContact CG2-CD1 4.19Å; I224-I272 HydrophobicContact CG2-CG1 4.33Å; I224-I272 HydrophobicContact CG2-CG2 3.96Å |
| 225 | I | 91 | Very high | 88.7 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 178.5 | -63.7 | 161.2 | 0 | 0 | 0 | 111.1 | L22 L71 T221 L222 G227 T228 F229 I272 Y273 | L22-I225 HydrophobicContact CD2-CG2 4.21Å; L71-I225 HydrophobicContact CD2-CG2 3.75Å; T221-I225 HydrophobicContact CG2-CD1 4.28Å; T221-I225 WeakPolarHBondContact O-CG1 3.47Å; T221-I225 PolarHBondContact O-N 3.36Å; L222-I225 HydrophobicContact CD2-CD1 4.17Å; L222-I225 PolarHBondContact O-N 3.36Å; I225-G227 PolarHBondContact O-N 3.37Å; I225-T228 PolarHBondContact O-N 3.32Å; I225-F229 PolarHBondContact O-N 2.99Å; I225-I272 HydrophobicContact CD1-CG2 4.16Å; I225-I272 HydrophobicContact CG1-CB 4.14Å; I225-I272 HydrophobicContact CG1-CD1 4.36Å; I225-I272 HydrophobicContact CG1-CG2 3.51Å; I225-Y273 HydrophobicContact CD1-CD1 3.79Å; I225-Y273 HydrophobicContact CD1-CE1 3.32Å; I225-Y273 HydrophobicContact CG1-CE1 4.37Å |
| 226 | M | 92.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 179 | -67 | 173.7 | -169.9 | 0 | 0 | 112.6 | L71 I74 A75 M162 Y166 L222 I224 T230 | L71-M226 HydrophobicContact CD2-CG 4.15Å; I74-M226 HydrophobicContact CB-CE 4.22Å; I74-M226 HydrophobicContact CG2-CE 3.79Å; A75-M226 HydrophobicContact CB-CE 3.85Å; A75-M226 HydrophobicContact CB-SD 4.28Å; M162-M226 HydrophobicContact CE-CB 4.09Å; M162-M226 HydrophobicContact CG-CG 4.29Å; M162-M226 HydrophobicContact CG-SD 3.97Å; M162-M226 HydrophobicContact SD-CB 3.93Å; M162-M226 HydrophobicContact SD-CG 3.76Å; M162-M226 HydrophobicContact SD-SD 4.24Å; Y166-M226 HydrophobicContact CD1-SD 4.23Å; Y166-M226 HydrophobicContact CD2-CE 3.69Å; Y166-M226 HydrophobicContact CD2-SD 3.24Å; Y166-M226 WeakPolarHBondContact CD2-SD 3.37Å; Y166-M226 HydrophobicContact CE2-CE 3.93Å; Y166-M226 HydrophobicContact CE2-SD 3.71Å; Y166-M226 HydrophobicContact CG-SD 3.54Å; Y166-M226 VanDerWaalsContact CG-SD 3.54Å; L222-M226 WeakPolarHBondContact O-CG 3.36Å; L222-M226 PolarHBondContact O-N 2.92Å; I224-M226 PolarHBondContact O-N 3.5Å; M226-T230 WeakPolarHBondContact O-CB 3.14Å; M226-T230 PolarHBondContact O-N 3.5Å; M226-T230 PolarHBondContact O-OG1 2.73Å |
| 227 | G | 93.5 | Very high | 90.8 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G223 I224 I225 F229 T230 L231 | G223-G227 PolarHBondContact O-N 3.42Å; I224-G227 PolarHBondContact O-N 2.96Å; I225-G227 PolarHBondContact O-N 3.37Å; G227-F229 PolarHBondContact O-N 3.38Å; G227-T230 PolarHBondContact O-N 2.82Å; G227-L231 WeakPolarHBondContact O-CB 3.29Å; G227-L231 VanDerWaalsContact O-CG 3.3Å; G227-L231 WeakPolarHBondContact O-CG 3.05Å; G227-L231 PolarHBondContact O-N 3.34Å |
| 228 | T | 94.2 | Very high | 91.7 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | I224 I225 T230 L231 C232 F268 | I224-T228 WeakPolarHBondContact O-CB 3.35Å; I224-T228 PolarHBondContact O-N 2.88Å; I224-T228 PolarHBondContact O-OG1 3.42Å; I225-T228 PolarHBondContact O-N 3.32Å; T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 3.17Å; T228-L231 PolarHBondContact O-N 2.88Å; T228-C232 WeakPolarHBondContact O-CB 3.06Å; T228-C232 PolarHBondContact O-N 3.5Å; T228-C232 PolarHBondContact O-SG 2.96Å; T228-C232 VanDerWaalsContact O-SG 3.39Å; T228-F268 HydrophobicContact CG2-CB 4.15Å; T228-F268 HydrophobicContact CG2-CD2 3.59Å; T228-F268 HydrophobicContact CG2-CE2 4.4Å; T228-F268 HydrophobicContact CG2-CG 4.25Å |
| 229 | F | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -47.4 | 176.2 | -174.6 | -82.9 | 0 | 0 | 0 | 111.7 | I68 L71 F155 I225 G227 C232 W233 N265 | I68-F229 HydrophobicContact CB-CE1 3.61Å; I68-F229 HydrophobicContact CB-CZ 3.69Å; I68-F229 HydrophobicContact CD1-CE1 3.84Å; I68-F229 HydrophobicContact CG1-CD1 4.37Å; I68-F229 HydrophobicContact CG1-CE1 3.75Å; I68-F229 HydrophobicContact CG1-CZ 4.35Å; L71-F229 HydrophobicContact CD1-CB 3.6Å; L71-F229 HydrophobicContact CD1-CD1 3.96Å; L71-F229 HydrophobicContact CD1-CD2 3.67Å; L71-F229 HydrophobicContact CD1-CE2 4.39Å; L71-F229 HydrophobicContact CD1-CG 3.44Å; L71-F229 VanDerWaalsContact CD1-CG 3.44Å; F155-F229 HydrophobicContact CD2-CE1 4.34Å; F155-F229 AromaticContact CE2-CE1 3.86Å; F155-F229 HydrophobicContact CE2-CE1 3.86Å; I225-F229 PolarHBondContact O-N 2.99Å; G227-F229 PolarHBondContact O-N 3.38Å; F229-C232 PolarHBondContact O-N 3.18Å; F229-W233 AromaticContact CD2-CD1 3.77Å; F229-W233 HydrophobicContact CE1-CB 4.26Å; F229-W233 AromaticContact CE1-CD1 3.85Å; F229-W233 HydrophobicContact CE1-CG 4.19Å; F229-W233 AromaticContact CE2-CD1 3.49Å; F229-W233 VanDerWaalsContact CE2-CD1 3.49Å; F229-W233 HydrophobicContact CE2-CG 4.41Å; F229-W233 AromaticContact CE2-NE1 3.65Å; F229-W233 AromaticContact CZ-CD1 3.52Å; F229-W233 HydrophobicContact CZ-CG 4.04Å; F229-W233 AromaticContact CZ-NE1 3.96Å; F229-W233 WeakPolarHBondContact O-CB 3.36Å; F229-W233 PolarHBondContact O-N 3.32Å; F229-N265 VanDerWaalsContact CA-OD1 3.26Å; F229-N265 WeakPolarHBondContact CA-OD1 3.37Å; F229-N265 WeakPolarHBondContact CD2-ND2 3.35Å; F229-N265 PolarHBondContact N-OD1 2.95Å |
| 230 | T | 94.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | L159 M162 M226 G227 T228 C232 L234 | L159-T230 HydrophobicContact CD1-CG2 3.75Å; L159-T230 WeakPolarHBondContact CD1-OG1 3.35Å; M162-T230 WeakPolarHBondContact CE-OG1 3.34Å; M226-T230 WeakPolarHBondContact O-CB 3.14Å; M226-T230 PolarHBondContact O-N 3.5Å; M226-T230 PolarHBondContact O-OG1 2.73Å; G227-T230 PolarHBondContact O-N 2.82Å; T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 3.17Å; T230-C232 VanDerWaalsContact C-N 3.3Å; T230-C232 PolarHBondContact O-N 3.07Å; T230-L234 HydrophobicContact CG2-CB 4.33Å; T230-L234 HydrophobicContact CG2-CD2 4.24Å; T230-L234 WeakPolarHBondContact O-CB 3.38Å; T230-L234 PolarHBondContact O-N 2.62Å |
| 231 | L | 95.6 | Very high | 93.2 | Very high | 133 Ų | 133 | 32.8 Ų | 32.8 | 70% | 0.696 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -65.8 | -33.3 | -178.3 | -70.3 | 172.4 | 0 | 0 | 0 | 112.7 | G227 T228 P235 | G227-L231 WeakPolarHBondContact O-CB 3.29Å; G227-L231 VanDerWaalsContact O-CG 3.3Å; G227-L231 WeakPolarHBondContact O-CG 3.05Å; G227-L231 PolarHBondContact O-N 3.34Å; T228-L231 PolarHBondContact O-N 2.88Å; L231-P235 VanDerWaalsContact O-CD 3.25Å; L231-P235 WeakPolarHBondContact O-CD 3.39Å; L231-P235 WeakPolarHBondContact O-CG 3.45Å |
| 232 | C | 95.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.7 | -43.2 | 178.2 | -73.9 | 0 | 0 | 0 | 0 | 112.8 | T228 F229 T230 L261 N265 | T228-C232 WeakPolarHBondContact O-CB 3.06Å; T228-C232 PolarHBondContact O-N 3.5Å; T228-C232 PolarHBondContact O-SG 2.96Å; T228-C232 VanDerWaalsContact O-SG 3.39Å; F229-C232 PolarHBondContact O-N 3.18Å; T230-C232 VanDerWaalsContact C-N 3.3Å; T230-C232 PolarHBondContact O-N 3.07Å; C232-L261 HydrophobicContact CB-CG 4.46Å; C232-L261 WeakPolarHBondContact CB-O 3.29Å; C232-N265 HydrophobicContact CB-CB 3.83Å |
| 233 | W | 96.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -93.4 | -32.1 | -172 | -77.8 | 102.2 | 0 | 0 | 0 | 114.6 | M29 V64 F155 F229 P235 F236 F237 G262 Y263 | M29-W233 HydrophobicContact CE-CH2 4.32Å; M29-W233 HydrophobicContact CE-CZ2 4.07Å; V64-W233 HydrophobicContact CB-CH2 4.35Å; V64-W233 HydrophobicContact CB-CZ2 4.43Å; V64-W233 HydrophobicContact CG1-CD2 4.01Å; V64-W233 HydrophobicContact CG1-CE3 3.96Å; V64-W233 HydrophobicContact CG1-CH2 4.2Å; V64-W233 HydrophobicContact CG1-CZ2 4.23Å; V64-W233 HydrophobicContact CG1-CZ3 4.05Å; V64-W233 HydrophobicContact CG2-CE3 4.42Å; V64-W233 HydrophobicContact CG2-CH2 3.19Å; V64-W233 HydrophobicContact CG2-CZ2 3.42Å; V64-W233 VanDerWaalsContact CG2-CZ2 3.42Å; V64-W233 HydrophobicContact CG2-CZ3 3.74Å; F155-W233 HydrophobicContact CE2-CB 3.56Å; F155-W233 HydrophobicContact CZ-CB 3.98Å; F229-W233 AromaticContact CD2-CD1 3.77Å; F229-W233 HydrophobicContact CE1-CB 4.26Å; F229-W233 AromaticContact CE1-CD1 3.85Å; F229-W233 HydrophobicContact CE1-CG 4.19Å; F229-W233 AromaticContact CE2-CD1 3.49Å; F229-W233 VanDerWaalsContact CE2-CD1 3.49Å; F229-W233 HydrophobicContact CE2-CG 4.41Å; F229-W233 AromaticContact CE2-NE1 3.65Å; F229-W233 AromaticContact CZ-CD1 3.52Å; F229-W233 HydrophobicContact CZ-CG 4.04Å; F229-W233 AromaticContact CZ-NE1 3.96Å; F229-W233 WeakPolarHBondContact O-CB 3.36Å; F229-W233 PolarHBondContact O-N 3.32Å; W233-P235 VanDerWaalsContact C-CD 3.47Å; W233-F236 HydrophobicContact CE3-CD1 4.16Å; W233-F236 HydrophobicContact CZ3-CD1 4.15Å; W233-F236 PolarHBondContact O-N 3.44Å; W233-F236 VanDerWaalsContact O-N 3.16Å; W233-F237 HydrophobicContact CB-CD2 4.24Å; W233-F237 HydrophobicContact CB-CE2 4.29Å; W233-F237 HydrophobicContact CD2-CE2 4.38Å; W233-F237 HydrophobicContact CE3-CD2 4.32Å; W233-F237 AromaticContact CE3-CE2 3.74Å; W233-F237 HydrophobicContact CE3-CE2 3.74Å; W233-F237 WeakPolarHBondContact O-CD2 2.99Å; W233-F237 PolarHBondContact O-N 2.84Å; W233-F237 VanDerWaalsContact O-N 3.15Å; W233-G262 VanDerWaalsContact CE2-CA 3.45Å; W233-G262 WeakPolarHBondContact CZ2-O 3.37Å; W233-G262 PolarHBondContact NE1-O 2.87Å; W233-Y263 AromaticContact CH2-CD1 3.78Å; W233-Y263 HydrophobicContact CH2-CD1 3.78Å; W233-Y263 AromaticContact CH2-CE1 3.89Å; W233-Y263 HydrophobicContact CH2-CE1 3.89Å; W233-Y263 HydrophobicContact CZ2-CD1 4.11Å |
| 234 | L | 96.3 | Very high | 93.2 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -42.3 | -176 | -179.3 | 63.3 | 0 | 0 | 0 | 113.6 | F155 Y156 L159 T230 F236 F237 I238 | F155-L234 HydrophobicContact CE1-CD1 3.94Å; F155-L234 HydrophobicContact CZ-CB 4.26Å; F155-L234 HydrophobicContact CZ-CD1 4.42Å; Y156-L234 HydrophobicContact CE1-CD1 4.24Å; L159-L234 HydrophobicContact CD2-CD1 4.01Å; T230-L234 HydrophobicContact CG2-CB 4.33Å; T230-L234 HydrophobicContact CG2-CD2 4.24Å; T230-L234 WeakPolarHBondContact O-CB 3.38Å; T230-L234 PolarHBondContact O-N 2.62Å; L234-F236 VanDerWaalsContact C-N 3.32Å; L234-F236 PolarHBondContact O-N 2.79Å; L234-F237 PolarHBondContact O-N 3.44Å; L234-I238 HydrophobicContact CD1-CD1 3.94Å; L234-I238 HydrophobicContact CD1-CG1 4.04Å; L234-I238 HydrophobicContact CD2-CD1 4.43Å; L234-I238 HydrophobicContact CG-CD1 3.77Å; L234-I238 HydrophobicContact CG-CG1 4.32Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.05Å; L234-I238 PolarHBondContact O-N 3.3Å |
| 235 | P | 96.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 177.3 | -26.1 | 36.6 | 0 | 0 | 0 | 112.9 | L231 W233 I238 V239 L258 | L231-P235 VanDerWaalsContact O-CD 3.25Å; L231-P235 WeakPolarHBondContact O-CD 3.39Å; L231-P235 WeakPolarHBondContact O-CG 3.45Å; W233-P235 VanDerWaalsContact C-CD 3.47Å; P235-I238 PolarHBondContact O-N 2.03Å; P235-V239 WeakPolarHBondContact O-CB 3.4Å; P235-V239 WeakPolarHBondContact O-CG2 3.48Å; P235-V239 PolarHBondContact O-N 3.19Å; P235-L258 HydrophobicContact CB-CD1 4.28Å; P235-L258 HydrophobicContact CB-CD2 3.87Å |
| 236 | F | 95.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -49.4 | 178.3 | 172.1 | -99.6 | 0 | 0 | 0 | 111.5 | W233 L234 I238 V239 N240 Y255 L258 N259 | W233-F236 HydrophobicContact CE3-CD1 4.16Å; W233-F236 HydrophobicContact CZ3-CD1 4.15Å; W233-F236 PolarHBondContact O-N 3.44Å; W233-F236 VanDerWaalsContact O-N 3.16Å; L234-F236 VanDerWaalsContact C-N 3.32Å; L234-F236 PolarHBondContact O-N 2.79Å; F236-I238 VanDerWaalsContact C-N 3.33Å; F236-I238 PolarHBondContact O-N 2.74Å; F236-V239 PolarHBondContact O-N 3.43Å; F236-V239 VanDerWaalsContact O-N 3.16Å; F236-N240 WeakPolarHBondContact O-CB 3Å; F236-N240 PolarHBondContact O-N 2.7Å; F236-Y255 HydrophobicContact CE2-CD1 4.16Å; F236-Y255 HydrophobicContact CE2-CD2 4.36Å; F236-Y255 AromaticContact CE2-CE1 3.6Å; F236-Y255 HydrophobicContact CE2-CE1 3.6Å; F236-Y255 AromaticContact CE2-CE2 3.81Å; F236-Y255 HydrophobicContact CE2-CE2 3.81Å; F236-Y255 AromaticContact CE2-CZ 3.39Å; F236-Y255 HydrophobicContact CZ-CE1 4.14Å; F236-Y255 HydrophobicContact CZ-CE2 4.31Å; F236-Y255 AromaticContact CZ-CZ 3.69Å; F236-Y255 WeakPolarHBondContact CZ-OH 3.37Å; F236-L258 HydrophobicContact CB-CB 4.13Å; F236-L258 HydrophobicContact CD2-CB 4.48Å; F236-N259 HydrophobicContact CD2-CB 3.7Å; F236-N259 HydrophobicContact CE2-CB 3.65Å; F236-N259 HydrophobicContact CZ-CB 4.48Å |
| 237 | F | 95.1 | Very high | 92 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -37.4 | -179.8 | -81.2 | -79 | 0 | 0 | 0 | 112.6 | V64 F155 Y156 W233 L234 N240 I241 | V64-F237 HydrophobicContact CG1-CE2 3.99Å; V64-F237 HydrophobicContact CG1-CZ 3.97Å; F155-F237 HydrophobicContact CB-CD1 3.78Å; F155-F237 HydrophobicContact CB-CD2 4.08Å; F155-F237 HydrophobicContact CB-CE1 3.54Å; F155-F237 HydrophobicContact CB-CE2 3.86Å; F155-F237 HydrophobicContact CB-CG 4.05Å; F155-F237 HydrophobicContact CB-CZ 3.59Å; F155-F237 HydrophobicContact CD1-CB 3.68Å; F155-F237 AromaticContact CD1-CD1 3.95Å; F155-F237 HydrophobicContact CD1-CD1 3.95Å; F155-F237 AromaticContact CD1-CD2 3.51Å; F155-F237 HydrophobicContact CD1-CD2 3.51Å; F155-F237 HydrophobicContact CD1-CE1 4.49Å; F155-F237 HydrophobicContact CD1-CE2 4.11Å; F155-F237 AromaticContact CD1-CG 3.42Å; F155-F237 HydrophobicContact CD1-CG 3.42Å; F155-F237 VanDerWaalsContact CD1-CG 3.42Å; F155-F237 AromaticContact CD2-CD2 3.39Å; F155-F237 HydrophobicContact CD2-CD2 3.39Å; F155-F237 HydrophobicContact CD2-CE1 4.49Å; F155-F237 AromaticContact CD2-CE2 3.22Å; F155-F237 HydrophobicContact CD2-CE2 3.22Å; F155-F237 HydrophobicContact CD2-CG 4.12Å; F155-F237 AromaticContact CD2-CZ 3.84Å; F155-F237 HydrophobicContact CD2-CZ 3.84Å; F155-F237 HydrophobicContact CE1-CB 3.74Å; F155-F237 AromaticContact CE1-CD2 3.65Å; F155-F237 HydrophobicContact CE1-CD2 3.65Å; F155-F237 HydrophobicContact CE1-CE2 4.49Å; F155-F237 AromaticContact CE1-CG 3.8Å; F155-F237 HydrophobicContact CE1-CG 3.8Å; F155-F237 AromaticContact CE2-CD2 3.54Å; F155-F237 HydrophobicContact CE2-CD2 3.54Å; F155-F237 AromaticContact CE2-CE2 3.7Å; F155-F237 HydrophobicContact CE2-CE2 3.7Å; F155-F237 HydrophobicContact CE2-CG 4.44Å; F155-F237 HydrophobicContact CG-CB 4.36Å; F155-F237 AromaticContact CG-CD1 3.89Å; F155-F237 HydrophobicContact CG-CD1 3.89Å; F155-F237 AromaticContact CG-CD2 3.37Å; F155-F237 HydrophobicContact CG-CD2 3.37Å; F155-F237 AromaticContact CG-CE1 3.96Å; F155-F237 HydrophobicContact CG-CE1 3.96Å; F155-F237 AromaticContact CG-CE2 3.47Å; F155-F237 HydrophobicContact CG-CE2 3.47Å; F155-F237 VanDerWaalsContact CG-CE2 3.47Å; F155-F237 AromaticContact CG-CG 3.6Å; F155-F237 HydrophobicContact CG-CG 3.6Å; F155-F237 AromaticContact CG-CZ 3.77Å; F155-F237 HydrophobicContact CG-CZ 3.77Å; F155-F237 HydrophobicContact CZ-CB 4.47Å; F155-F237 AromaticContact CZ-CD2 3.68Å; F155-F237 HydrophobicContact CZ-CD2 3.68Å; F155-F237 HydrophobicContact CZ-CE2 4.31Å; F155-F237 HydrophobicContact CZ-CG 4.3Å; Y156-F237 HydrophobicContact CE2-CB 4.41Å; Y156-F237 PolarHBondContact OH-O 2.87Å; Y156-F237 VanDerWaalsContact OH-O 3.08Å; W233-F237 HydrophobicContact CB-CD2 4.24Å; W233-F237 HydrophobicContact CB-CE2 4.29Å; W233-F237 HydrophobicContact CD2-CE2 4.38Å; W233-F237 HydrophobicContact CE3-CD2 4.32Å; W233-F237 AromaticContact CE3-CE2 3.74Å; W233-F237 HydrophobicContact CE3-CE2 3.74Å; W233-F237 WeakPolarHBondContact O-CD2 2.99Å; W233-F237 PolarHBondContact O-N 2.84Å; W233-F237 VanDerWaalsContact O-N 3.15Å; L234-F237 PolarHBondContact O-N 3.44Å; F237-N240 WeakPolarHBondContact O-CB 3.47Å; F237-N240 PolarHBondContact O-N 3.34Å; F237-I241 WeakPolarHBondContact O-CG1 3.44Å; F237-I241 PolarHBondContact O-N 2.7Å; F237-I241 VanDerWaalsContact O-N 3.17Å |
| 238 | I | 94.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 172.7 | -69.7 | 169.1 | 0 | 0 | 0 | 110.3 | Y156 L234 P235 F236 N240 I241 V242 | Y156-I238 PolarHBondContact OH-N 2.84Å; L234-I238 HydrophobicContact CD1-CD1 3.94Å; L234-I238 HydrophobicContact CD1-CG1 4.04Å; L234-I238 HydrophobicContact CD2-CD1 4.43Å; L234-I238 HydrophobicContact CG-CD1 3.77Å; L234-I238 HydrophobicContact CG-CG1 4.32Å; L234-I238 VanDerWaalsContact O-CG1 3.3Å; L234-I238 WeakPolarHBondContact O-CG1 3.05Å; L234-I238 PolarHBondContact O-N 3.3Å; P235-I238 PolarHBondContact O-N 2.03Å; F236-I238 VanDerWaalsContact C-N 3.33Å; F236-I238 PolarHBondContact O-N 2.74Å; I238-N240 VanDerWaalsContact C-N 3.29Å; I238-N240 PolarHBondContact O-N 2.94Å; I238-I241 PolarHBondContact O-N 3.38Å; I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 WeakPolarHBondContact O-CG2 3.47Å; I238-V242 PolarHBondContact O-N 2.03Å |
| 239 | V | 93.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -37 | 179.2 | 159.2 | 0 | 0 | 0 | 0 | 111.9 | P235 F236 I241 V242 H243 I250 Y255 L258 | P235-V239 WeakPolarHBondContact O-CB 3.4Å; P235-V239 WeakPolarHBondContact O-CG2 3.48Å; P235-V239 PolarHBondContact O-N 3.19Å; F236-V239 PolarHBondContact O-N 3.43Å; F236-V239 VanDerWaalsContact O-N 3.16Å; V239-I241 PolarHBondContact O-N 3.15Å; V239-V242 PolarHBondContact O-N 2.94Å; V239-H243 VanDerWaalsContact O-CB 3.26Å; V239-H243 WeakPolarHBondContact O-CB 3.49Å; V239-H243 PolarHBondContact O-N 3.24Å; V239-I250 HydrophobicContact CB-CD1 4Å; V239-I250 HydrophobicContact CG1-CD1 3.61Å; V239-I250 HydrophobicContact CG1-CG2 3.94Å; V239-I250 HydrophobicContact CG2-CD1 3.76Å; V239-Y255 HydrophobicContact CG1-CD2 3.87Å; V239-L258 HydrophobicContact CB-CD1 3.97Å; V239-L258 HydrophobicContact CG1-CD1 4.34Å; V239-L258 HydrophobicContact CG2-CD1 3.42Å; V239-L258 VanDerWaalsContact CG2-CD1 3.42Å |
| 240 | N | 91.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.3 | -172.3 | 45.2 | 0 | 0 | 0 | 111.6 | S151 F236 F237 I238 H243 V244 | S151-N240 PolarHBondContact OG-ND2 3.26Å; F236-N240 WeakPolarHBondContact O-CB 3Å; F236-N240 PolarHBondContact O-N 2.7Å; F237-N240 WeakPolarHBondContact O-CB 3.47Å; F237-N240 PolarHBondContact O-N 3.34Å; I238-N240 VanDerWaalsContact C-N 3.29Å; I238-N240 PolarHBondContact O-N 2.94Å; N240-H243 PolarHBondContact O-N 3.5Å; N240-V244 WeakPolarHBondContact O-CG2 3.4Å; N240-V244 PolarHBondContact O-N 2.78Å |
| 241 | I | 91.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.3 | -61.1 | -59.1 | 0 | 0 | 0 | 111.5 | I148 Y156 F237 I238 V239 V244 I245 | I148-I241 HydrophobicContact CG1-CD1 4.2Å; Y156-I241 HydrophobicContact CE2-CD1 4.33Å; Y156-I241 HydrophobicContact CE2-CG1 3.9Å; F237-I241 WeakPolarHBondContact O-CG1 3.44Å; F237-I241 PolarHBondContact O-N 2.7Å; F237-I241 VanDerWaalsContact O-N 3.17Å; I238-I241 PolarHBondContact O-N 3.38Å; V239-I241 PolarHBondContact O-N 3.15Å; I241-V244 PolarHBondContact O-N 2.92Å; I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 WeakPolarHBondContact O-CG1 3.21Å; I241-I245 PolarHBondContact O-N 3.44Å; I241-I245 VanDerWaalsContact O-N 3.13Å |
| 242 | V | 91.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I238 V239 V244 I245 R246 L249 I250 | I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 WeakPolarHBondContact O-CG2 3.47Å; I238-V242 PolarHBondContact O-N 2.03Å; V239-V242 PolarHBondContact O-N 2.94Å; V242-V244 VanDerWaalsContact C-N 3.25Å; V242-V244 PolarHBondContact O-N 3.15Å; V242-I245 PolarHBondContact O-N 3.34Å; V242-R246 PolarHBondContact O-N 3.22Å; V242-L249 HydrophobicContact CG1-CD2 3.88Å; V242-I250 HydrophobicContact CB-CD1 4.06Å; V242-I250 HydrophobicContact CG1-CD1 3.76Å; V242-I250 HydrophobicContact CG1-CG1 4.45Å |
| 243 | H | 86.8 | Confident | 89.6 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 179.6 | -176 | 80.5 | 0 | 0 | 0 | 111.9 | V239 N240 R246 A247 | V239-H243 VanDerWaalsContact O-CB 3.26Å; V239-H243 WeakPolarHBondContact O-CB 3.49Å; V239-H243 PolarHBondContact O-N 3.24Å; N240-H243 PolarHBondContact O-N 3.5Å; H243-R246 CarbonylContact O-C 3.27Å; H243-R246 VanDerWaalsContact O-C 3.27Å; H243-A247 PolarHBondContact O-N 3.23Å |
| 244 | V | 84.3 | Confident | 89.4 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.3 | -38.1 | 179.5 | 167.5 | 0 | 0 | 0 | 0 | 112.4 | Q144 A147 I148 N240 I241 V242 | Q144-V244 VanDerWaalsContact CA-CG1 3.42Å; Q144-V244 HydrophobicContact CB-CG1 3.51Å; Q144-V244 HydrophobicContact CG-CG1 3.71Å; Q144-V244 PolarHBondContact NE2-O 3.22Å; A147-V244 HydrophobicContact CB-CB 4.37Å; A147-V244 HydrophobicContact CB-CG1 4.29Å; A147-V244 HydrophobicContact CB-CG2 3.32Å; I148-V244 HydrophobicContact CD1-CG1 4.34Å; I148-V244 HydrophobicContact CG1-CG1 4.26Å; N240-V244 WeakPolarHBondContact O-CG2 3.4Å; N240-V244 PolarHBondContact O-N 2.78Å; I241-V244 PolarHBondContact O-N 2.92Å; V242-V244 VanDerWaalsContact C-N 3.25Å; V242-V244 PolarHBondContact O-N 3.15Å |
| 245 | I | 86.1 | Confident | 89.1 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -76 | -40.9 | 177.9 | -64.6 | 169.1 | 0 | 0 | 0 | 110.8 | I241 V242 | I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 WeakPolarHBondContact O-CG1 3.21Å; I241-I245 PolarHBondContact O-N 3.44Å; I241-I245 VanDerWaalsContact O-N 3.13Å; V242-I245 PolarHBondContact O-N 3.34Å |
| 246 | R | 86.3 | Confident | 88.9 | Confident | 162 Ų | 162 | 67.3 Ų | 67.3 | 61% | 0.611 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -130.2 | 93.5 | -177.6 | -72.8 | -110.6 | -78.9 | -160.2 | -4.5 | 109.8 | V242 H243 L249 | V242-R246 PolarHBondContact O-N 3.22Å; H243-R246 CarbonylContact O-C 3.27Å; H243-R246 VanDerWaalsContact O-C 3.27Å; R246-L249 HydrophobicContact CB-CB 4.34Å; R246-L249 HydrophobicContact CB-CD2 4.36Å |
| 247 | A | 78 | Confident | 88.9 | Confident | 75 Ų | 75 | 72 Ų | 72 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 147.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | H243 L249 | H243-A247 PolarHBondContact O-N 3.23Å; A247-L249 PolarHBondContact O-N 3.04Å; A247-L249 VanDerWaalsContact O-N 3.13Å |
| 248 | N | 77.3 | Confident | 88.9 | Confident | 150 Ų | 150 | 72.6 Ų | 72.6 | 80% | 0.802 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 11.1 | 175.7 | -53.8 | -34.3 | 0 | 0 | 0 | 116.6 | ||
| 249 | L | 86.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76 | -32.5 | 174.1 | -172.6 | 66.4 | 0 | 0 | 0 | 112.5 | V242 R246 A247 | V242-L249 HydrophobicContact CG1-CD2 3.88Å; R246-L249 HydrophobicContact CB-CB 4.34Å; R246-L249 HydrophobicContact CB-CD2 4.36Å; A247-L249 PolarHBondContact O-N 3.04Å; A247-L249 VanDerWaalsContact O-N 3.13Å |
| 250 | I | 86.9 | Confident | 89 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -114.9 | 124.7 | -172.3 | -58.2 | -179.6 | 0 | 0 | 0 | 109.1 | V239 V242 V254 | V239-I250 HydrophobicContact CB-CD1 4Å; V239-I250 HydrophobicContact CG1-CD1 3.61Å; V239-I250 HydrophobicContact CG1-CG2 3.94Å; V239-I250 HydrophobicContact CG2-CD1 3.76Å; V242-I250 HydrophobicContact CB-CD1 4.06Å; V242-I250 HydrophobicContact CG1-CD1 3.76Å; V242-I250 HydrophobicContact CG1-CG1 4.45Å; I250-V254 HydrophobicContact CG2-CB 3.89Å; I250-V254 HydrophobicContact CG2-CG1 3.89Å |
| 251 | P | 90.3 | Very high | 89.2 | Confident | 72 Ų | 72 | 75 Ų | 75 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | trans | -60.6 | 148.6 | 176.1 | -22 | 32.2 | 0 | 0 | 0 | 112.6 | E253 V254 Y255 | P251-E253 WeakPolarHBondContact CB-OE2 3.47Å; P251-E253 PolarHBondContact O-N 3.15Å; P251-V254 HydrophobicContact CB-CG2 4.23Å; P251-V254 HydrophobicContact CG-CG2 4.2Å; P251-V254 PolarHBondContact O-N 2.93Å; P251-V254 VanDerWaalsContact O-N 3.11Å; P251-Y255 PolarHBondContact O-N 3.13Å | ||
| 252 | K | 86.8 | Confident | 89.3 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 46% | 0.457 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 179.6 | -174.3 | 176.7 | 179.2 | 177.4 | 0 | 111.4 | D139 V254 Y255 I256 | D139-K252 IonicContact OD1-NZ 2.71Å; D139-K252 PolarHBondContact OD1-NZ 2.88Å; D139-K252 IonicContact OD2-NZ 3.28Å; D139-K252 PolarHBondContact OD2-NZ 3.3Å; K252-V254 VanDerWaalsContact C-N 3.32Å; K252-V254 PolarHBondContact O-N 3.45Å; K252-Y255 WeakPolarHBondContact O-CB 3.06Å; K252-Y255 PolarHBondContact O-N 3.2Å; K252-I256 HydrophobicContact CG-CD1 3.97Å; K252-I256 HydrophobicContact CG-CG1 4.45Å; K252-I256 WeakPolarHBondContact O-CG1 3.45Å; K252-I256 PolarHBondContact O-N 2.91Å |
| 253 | E | 90 | Very high | 89.4 | Confident | 136 Ų | 136 | 71.4 Ų | 71.4 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -39.7 | 178.6 | -61.2 | 71.8 | -158.8 | 0 | 0 | 111.5 | P251 L257 | P251-E253 WeakPolarHBondContact CB-OE2 3.47Å; P251-E253 PolarHBondContact O-N 3.15Å; E253-L257 VanDerWaalsContact O-CB 3.26Å; E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 3.13Å |
| 254 | V | 92.8 | Very high | 89.7 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | I250 P251 K252 I256 L257 L258 | I250-V254 HydrophobicContact CG2-CB 3.89Å; I250-V254 HydrophobicContact CG2-CG1 3.89Å; P251-V254 HydrophobicContact CB-CG2 4.23Å; P251-V254 HydrophobicContact CG-CG2 4.2Å; P251-V254 PolarHBondContact O-N 2.93Å; P251-V254 VanDerWaalsContact O-N 3.11Å; K252-V254 VanDerWaalsContact C-N 3.32Å; K252-V254 PolarHBondContact O-N 3.45Å; V254-I256 PolarHBondContact O-N 3.37Å; V254-L257 PolarHBondContact O-N 3.08Å; V254-L258 HydrophobicContact CG1-CD1 4.06Å; V254-L258 HydrophobicContact CG1-CG 4.33Å; V254-L258 VanDerWaalsContact O-CG 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.2Å; V254-L258 PolarHBondContact O-N 3.29Å |
| 255 | Y | 90.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 17% | 0.173 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 176.6 | -171.9 | -88 | 0 | 0 | 0 | 111.6 | F236 V239 P251 K252 N259 | F236-Y255 HydrophobicContact CE2-CD1 4.16Å; F236-Y255 HydrophobicContact CE2-CD2 4.36Å; F236-Y255 AromaticContact CE2-CE1 3.6Å; F236-Y255 HydrophobicContact CE2-CE1 3.6Å; F236-Y255 AromaticContact CE2-CE2 3.81Å; F236-Y255 HydrophobicContact CE2-CE2 3.81Å; F236-Y255 AromaticContact CE2-CZ 3.39Å; F236-Y255 HydrophobicContact CZ-CE1 4.14Å; F236-Y255 HydrophobicContact CZ-CE2 4.31Å; F236-Y255 AromaticContact CZ-CZ 3.69Å; F236-Y255 WeakPolarHBondContact CZ-OH 3.37Å; V239-Y255 HydrophobicContact CG1-CD2 3.87Å; P251-Y255 PolarHBondContact O-N 3.13Å; K252-Y255 WeakPolarHBondContact O-CB 3.06Å; K252-Y255 PolarHBondContact O-N 3.2Å; Y255-N259 WeakPolarHBondContact O-CB 3.4Å; Y255-N259 PolarHBondContact O-N 3.11Å |
| 256 | I | 91.8 | Very high | 90.2 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 175.8 | -67.2 | 169.6 | 0 | 0 | 0 | 110.2 | I41 K252 V254 L258 N259 W260 | I41-I256 HydrophobicContact CD1-CG2 3.52Å; I41-I256 HydrophobicContact CG1-CG2 4.39Å; K252-I256 HydrophobicContact CG-CD1 3.97Å; K252-I256 HydrophobicContact CG-CG1 4.45Å; K252-I256 WeakPolarHBondContact O-CG1 3.45Å; K252-I256 PolarHBondContact O-N 2.91Å; V254-I256 PolarHBondContact O-N 3.37Å; I256-L258 VanDerWaalsContact C-N 3.31Å; I256-L258 PolarHBondContact O-N 3.03Å; I256-N259 WeakPolarHBondContact O-CB 3.39Å; I256-N259 PolarHBondContact O-N 3.47Å; I256-N259 VanDerWaalsContact O-N 3.11Å; I256-W260 PolarHBondContact O-N 2.88Å |
| 257 | L | 94.8 | Very high | 90.2 | Very high | 120 Ų | 120 | 61 Ų | 61 | 63% | 0.628 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -55.9 | -45.3 | -178.7 | -178.9 | 70 | 0 | 0 | 0 | 112.2 | E253 V254 W260 L261 | E253-L257 VanDerWaalsContact O-CB 3.26Å; E253-L257 WeakPolarHBondContact O-CB 3.47Å; E253-L257 PolarHBondContact O-N 3.13Å; V254-L257 PolarHBondContact O-N 3.08Å; L257-W260 PolarHBondContact O-N 3.28Å; L257-L261 PolarHBondContact O-N 3.32Å |
| 258 | L | 95.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -35.2 | 179.1 | -65.6 | -179.9 | 0 | 0 | 0 | 112.3 | P235 F236 V239 V254 I256 W260 L261 G262 | P235-L258 HydrophobicContact CB-CD1 4.28Å; P235-L258 HydrophobicContact CB-CD2 3.87Å; F236-L258 HydrophobicContact CB-CB 4.13Å; F236-L258 HydrophobicContact CD2-CB 4.48Å; V239-L258 HydrophobicContact CB-CD1 3.97Å; V239-L258 HydrophobicContact CG1-CD1 4.34Å; V239-L258 HydrophobicContact CG2-CD1 3.42Å; V239-L258 VanDerWaalsContact CG2-CD1 3.42Å; V254-L258 HydrophobicContact CG1-CD1 4.06Å; V254-L258 HydrophobicContact CG1-CG 4.33Å; V254-L258 VanDerWaalsContact O-CG 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.2Å; V254-L258 PolarHBondContact O-N 3.29Å; I256-L258 VanDerWaalsContact C-N 3.31Å; I256-L258 PolarHBondContact O-N 3.03Å; L258-W260 VanDerWaalsContact C-N 3.34Å; L258-L261 WeakPolarHBondContact O-CB 3.34Å; L258-L261 PolarHBondContact O-N 3.3Å; L258-G262 PolarHBondContact O-N 3.42Å |
| 259 | N | 94.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 173.6 | -164.3 | 31 | 0 | 0 | 0 | 111.2 | F236 Y255 I256 L261 G262 Y263 | F236-N259 HydrophobicContact CD2-CB 3.7Å; F236-N259 HydrophobicContact CE2-CB 3.65Å; F236-N259 HydrophobicContact CZ-CB 4.48Å; Y255-N259 WeakPolarHBondContact O-CB 3.4Å; Y255-N259 PolarHBondContact O-N 3.11Å; I256-N259 WeakPolarHBondContact O-CB 3.39Å; I256-N259 PolarHBondContact O-N 3.47Å; I256-N259 VanDerWaalsContact O-N 3.11Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.26Å; N259-G262 WeakPolarHBondContact O-CA 3.12Å; N259-G262 PolarHBondContact O-N 3Å; N259-Y263 VanDerWaalsContact ND2-CZ 3.26Å; N259-Y263 PolarHBondContact ND2-OH 2.98Å; N259-Y263 PolarHBondContact O-N 2.91Å |
| 260 | W | 95.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -33.8 | 176 | -83.4 | 74.3 | 0 | 0 | 0 | 113.2 | V34 A38 I41 I256 L257 L258 G262 Y263 V264 | V34-W260 HydrophobicContact CG1-CH2 4.17Å; V34-W260 HydrophobicContact CG1-CZ3 4.03Å; A38-W260 HydrophobicContact CB-CH2 3.75Å; A38-W260 HydrophobicContact CB-CZ2 4.34Å; I41-W260 VanDerWaalsContact CD1-CE2 3.48Å; I41-W260 HydrophobicContact CD1-CZ2 3.64Å; I256-W260 PolarHBondContact O-N 2.88Å; L257-W260 PolarHBondContact O-N 3.28Å; L258-W260 VanDerWaalsContact C-N 3.34Å; W260-G262 PolarHBondContact O-N 3.24Å; W260-Y263 HydrophobicContact CD2-CD2 4.06Å; W260-Y263 HydrophobicContact CE3-CD2 4.43Å; W260-Y263 HydrophobicContact CG-CD2 4.16Å; W260-Y263 PolarHBondContact O-N 2.91Å; W260-Y263 VanDerWaalsContact O-N 3.15Å; W260-V264 WeakPolarHBondContact O-CG2 3.47Å; W260-V264 PolarHBondContact O-N 3.09Å |
| 261 | L | 95.5 | Very high | 90.9 | Very high | 71 Ų | 71 | 58 Ų | 58 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 169.6 | -180 | 66.2 | 0 | 0 | 0 | 111.2 | C232 L257 L258 N259 V264 | C232-L261 HydrophobicContact CB-CG 4.46Å; C232-L261 WeakPolarHBondContact CB-O 3.29Å; L257-L261 PolarHBondContact O-N 3.32Å; L258-L261 WeakPolarHBondContact O-CB 3.34Å; L258-L261 PolarHBondContact O-N 3.3Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 3.26Å; L261-V264 PolarHBondContact O-N 3.35Å |
| 262 | G | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W233 L258 N259 W260 V264 N265 | W233-G262 VanDerWaalsContact CE2-CA 3.45Å; W233-G262 WeakPolarHBondContact CZ2-O 3.37Å; W233-G262 PolarHBondContact NE1-O 2.87Å; L258-G262 PolarHBondContact O-N 3.42Å; N259-G262 WeakPolarHBondContact O-CA 3.12Å; N259-G262 PolarHBondContact O-N 3Å; W260-G262 PolarHBondContact O-N 3.24Å; G262-V264 VanDerWaalsContact C-N 3.32Å; G262-V264 PolarHBondContact O-N 3.47Å; G262-N265 WeakPolarHBondContact O-CB 3.48Å; G262-N265 PolarHBondContact O-N 2.91Å; G262-N265 VanDerWaalsContact O-N 3.1Å |
| 263 | Y | 94.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 179.3 | -61.5 | -17.4 | 0 | 0 | 0 | 113.5 | M29 V33 V34 D60 W233 N259 W260 N265 S266 | M29-Y263 HydrophobicContact CE-CD1 3.28Å; M29-Y263 HydrophobicContact CE-CE1 3.63Å; M29-Y263 HydrophobicContact CE-CG 4.25Å; V33-Y263 HydrophobicContact CG1-CE1 4.11Å; V33-Y263 HydrophobicContact CG1-CE2 4.43Å; V34-Y263 HydrophobicContact CG2-CD2 4.28Å; V34-Y263 HydrophobicContact CG2-CG 4.23Å; D60-Y263 VanDerWaalsContact OD1-CE1 3.3Å; D60-Y263 WeakPolarHBondContact OD1-CE1 3.46Å; D60-Y263 PolarHBondContact OD2-OH 3.17Å; W233-Y263 AromaticContact CH2-CD1 3.78Å; W233-Y263 HydrophobicContact CH2-CD1 3.78Å; W233-Y263 AromaticContact CH2-CE1 3.89Å; W233-Y263 HydrophobicContact CH2-CE1 3.89Å; W233-Y263 HydrophobicContact CZ2-CD1 4.11Å; N259-Y263 VanDerWaalsContact ND2-CZ 3.26Å; N259-Y263 PolarHBondContact ND2-OH 2.98Å; N259-Y263 PolarHBondContact O-N 2.91Å; W260-Y263 HydrophobicContact CD2-CD2 4.06Å; W260-Y263 HydrophobicContact CE3-CD2 4.43Å; W260-Y263 HydrophobicContact CG-CD2 4.16Å; W260-Y263 PolarHBondContact O-N 2.91Å; W260-Y263 VanDerWaalsContact O-N 3.15Å; Y263-N265 PolarHBondContact O-N 3.44Å; Y263-S266 PolarHBondContact O-N 3.44Å |
| 264 | V | 92.3 | Very high | 90.2 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -24.4 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | W260 L261 G262 S266 A267 F268 | W260-V264 WeakPolarHBondContact O-CG2 3.47Å; W260-V264 PolarHBondContact O-N 3.09Å; L261-V264 PolarHBondContact O-N 3.35Å; G262-V264 VanDerWaalsContact C-N 3.32Å; G262-V264 PolarHBondContact O-N 3.47Å; V264-S266 PolarHBondContact O-N 3.1Å; V264-A267 WeakPolarHBondContact O-CB 3.43Å; V264-A267 PolarHBondContact O-N 3.06Å; V264-F268 HydrophobicContact CG1-CD2 4.34Å; V264-F268 HydrophobicContact CG1-CE1 3.99Å; V264-F268 HydrophobicContact CG1-CE2 3.63Å; V264-F268 HydrophobicContact CG1-CZ 3.43Å; V264-F268 VanDerWaalsContact CG1-CZ 3.43Å; V264-F268 PolarHBondContact O-N 2.7Å |
| 265 | N | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.9 | -39.2 | 174.5 | -178.8 | 74.8 | 0 | 0 | 0 | 112.7 | F229 C232 G262 Y263 A267 F268 N269 | F229-N265 VanDerWaalsContact CA-OD1 3.26Å; F229-N265 WeakPolarHBondContact CA-OD1 3.37Å; F229-N265 WeakPolarHBondContact CD2-ND2 3.35Å; F229-N265 PolarHBondContact N-OD1 2.95Å; C232-N265 HydrophobicContact CB-CB 3.83Å; G262-N265 WeakPolarHBondContact O-CB 3.48Å; G262-N265 PolarHBondContact O-N 2.91Å; G262-N265 VanDerWaalsContact O-N 3.1Å; Y263-N265 PolarHBondContact O-N 3.44Å; N265-A267 PolarHBondContact O-N 3.47Å; N265-F268 PolarHBondContact O-N 2.83Å; N265-N269 PolarHBondContact O-N 3.46Å |
| 266 | S | 88.3 | Confident | 90.1 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -23.1 | 179.1 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | D26 Y263 V264 P270 | D26-S266 VanDerWaalsContact OD1-CA 3.29Å; D26-S266 WeakPolarHBondContact OD1-CA 3.48Å; D26-S266 WeakPolarHBondContact OD1-CB 3.37Å; D26-S266 PolarHBondContact OD1-OG 3.45Å; Y263-S266 PolarHBondContact O-N 3.44Å; V264-S266 PolarHBondContact O-N 3.1Å; S266-P270 WeakPolarHBondContact O-CD 3.14Å |
| 267 | A | 86.9 | Confident | 90 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 51% | 0.512 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -82.2 | -25.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V264 N265 | V264-A267 WeakPolarHBondContact O-CB 3.43Å; V264-A267 PolarHBondContact O-N 3.06Å; N265-A267 PolarHBondContact O-N 3.47Å |
| 268 | F | 87.3 | Confident | 89.7 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.5 | -33.1 | 179.7 | -64.5 | -39.4 | 0 | 0 | 0 | 113 | T228 V264 N265 L271 I272 | T228-F268 HydrophobicContact CG2-CB 4.15Å; T228-F268 HydrophobicContact CG2-CD2 3.59Å; T228-F268 HydrophobicContact CG2-CE2 4.4Å; T228-F268 HydrophobicContact CG2-CG 4.25Å; V264-F268 HydrophobicContact CG1-CD2 4.34Å; V264-F268 HydrophobicContact CG1-CE1 3.99Å; V264-F268 HydrophobicContact CG1-CE2 3.63Å; V264-F268 HydrophobicContact CG1-CZ 3.43Å; V264-F268 VanDerWaalsContact CG1-CZ 3.43Å; V264-F268 PolarHBondContact O-N 2.7Å; N265-F268 PolarHBondContact O-N 2.83Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 3.3Å; F268-I272 HydrophobicContact CB-CD1 4.12Å; F268-I272 VanDerWaalsContact O-CG1 3.32Å; F268-I272 WeakPolarHBondContact O-CG1 3.32Å; F268-I272 PolarHBondContact O-N 3.02Å; F268-I272 VanDerWaalsContact O-N 3.12Å |
| 269 | N | 83.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.9 | -50.8 | -176 | -72.8 | -17.5 | 0 | 0 | 0 | 112.9 | D26 N265 L271 I272 Y273 | D26-N269 PolarHBondContact OD1-ND2 3.4Å; D26-N269 WeakPolarHBondContact OD2-CB 3.3Å; D26-N269 PolarHBondContact OD2-ND2 3.1Å; N265-N269 PolarHBondContact O-N 3.46Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.35Å; N269-I272 PolarHBondContact O-N 3.28Å; N269-I272 VanDerWaalsContact O-N 3.12Å; N269-Y273 HydrophobicContact CB-CE2 3.88Å; N269-Y273 WeakPolarHBondContact O-CD2 3.37Å; N269-Y273 VanDerWaalsContact O-CE2 3.28Å; N269-Y273 WeakPolarHBondContact O-CE2 3.46Å; N269-Y273 PolarHBondContact O-N 3.06Å |
| 270 | P | 85.3 | Confident | 88.9 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.7 | -29.6 | 173.9 | -26.7 | 36 | 0 | 0 | 0 | 116.1 | V1 S266 | V1-P270 HydrophobicContact CG2-CB 4.07Å; V1-P270 HydrophobicContact CG2-CG 4.26Å; S266-P270 WeakPolarHBondContact O-CD 3.14Å |
| 271 | L | 86.4 | Confident | 88.4 | Confident | 143 Ų | 143 | 50.1 Ų | 50.1 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -79.4 | -22.9 | 179.2 | -63.1 | 172.6 | 0 | 0 | 0 | 112.3 | F268 N269 | F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 3.3Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.35Å |
| 272 | I | 84.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -86 | -29.7 | -179.5 | -61.3 | 161.4 | 0 | 0 | 0 | 111.8 | T221 I224 I225 F268 N269 | T221-I272 HydrophobicContact CG2-CG2 3.88Å; T221-I272 WeakPolarHBondContact CG2-O 3.32Å; I224-I272 HydrophobicContact CB-CG2 4.34Å; I224-I272 HydrophobicContact CG2-CD1 4.19Å; I224-I272 HydrophobicContact CG2-CG1 4.33Å; I224-I272 HydrophobicContact CG2-CG2 3.96Å; I225-I272 HydrophobicContact CD1-CG2 4.16Å; I225-I272 HydrophobicContact CG1-CB 4.14Å; I225-I272 HydrophobicContact CG1-CD1 4.36Å; I225-I272 HydrophobicContact CG1-CG2 3.51Å; F268-I272 HydrophobicContact CB-CD1 4.12Å; F268-I272 VanDerWaalsContact O-CG1 3.32Å; F268-I272 WeakPolarHBondContact O-CG1 3.32Å; F268-I272 PolarHBondContact O-N 3.02Å; F268-I272 VanDerWaalsContact O-N 3.12Å; N269-I272 PolarHBondContact O-N 3.28Å; N269-I272 VanDerWaalsContact O-N 3.12Å |
| 273 | Y | 78.8 | Confident | 87.2 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | trans | -71 | 0 | 178.9 | -60.6 | -49.4 | 0 | 0 | 0 | 113.4 | V1 I19 L22 I225 N269 | V1-Y273 HydrophobicContact CB-CD2 4.47Å; V1-Y273 HydrophobicContact CG1-CD2 3.99Å; V1-Y273 HydrophobicContact CG1-CE2 4.16Å; V1-Y273 HydrophobicContact CG2-CD2 3.61Å; V1-Y273 HydrophobicContact CG2-CE2 4.11Å; I19-Y273 HydrophobicContact CB-CE1 4.45Å; I19-Y273 HydrophobicContact CD1-CD1 4.4Å; I19-Y273 HydrophobicContact CD1-CE1 4.09Å; I19-Y273 HydrophobicContact CG1-CE1 4.09Å; I19-Y273 HydrophobicContact CG2-CD1 4.13Å; I19-Y273 HydrophobicContact CG2-CD2 4.41Å; I19-Y273 HydrophobicContact CG2-CE1 3.58Å; I19-Y273 HydrophobicContact CG2-CE2 3.95Å; L22-Y273 WeakPolarHBondContact CD2-OH 3.18Å; I225-Y273 HydrophobicContact CD1-CD1 3.79Å; I225-Y273 HydrophobicContact CD1-CE1 3.32Å; I225-Y273 HydrophobicContact CG1-CE1 4.37Å; N269-Y273 HydrophobicContact CB-CE2 3.88Å; N269-Y273 WeakPolarHBondContact O-CD2 3.37Å; N269-Y273 VanDerWaalsContact O-CE2 3.28Å; N269-Y273 WeakPolarHBondContact O-CE2 3.46Å; N269-Y273 PolarHBondContact O-N 3.06Å |
Retrieved 273 of 273 residues in 714.5 ms
(Link to these results)