| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61 | Low | 87.1 | Confident | 188 Ų | 188 | 52.9 Ų | 52.9 | 93% | 0.926 | 31% | 0.307 | S | S | * | . | 0 | -42.5 | 0 | -70.6 | -73.1 | -179.1 | 0 | 0 | 112.4 | G3 L4 N5 | M1-G3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3Å; M1-N5 PolarHBondContact O-N 3.37Å | |||
| 2 | S | 78.8 | Confident | 87.8 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -43.6 | 178.4 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | L4 N5 A6 | S2-L4 PolarHBondContact O-N 2.9Å; S2-N5 PolarHBondContact O-N 3.1Å; S2-A6 PolarHBondContact O-N 3.08Å |
| 3 | G | 80.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -52.4 | -53.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 N5 A6 S7 | M1-G3 PolarHBondContact O-N 3.38Å; G3-N5 VanDerWaalsContact C-N 3.33Å; G3-N5 PolarHBondContact O-N 3.37Å; G3-A6 PolarHBondContact O-N 3.03Å; G3-S7 PolarHBondContact O-N 2.97Å; G3-S7 PolarHBondContact O-OG 2.94Å |
| 4 | L | 85.9 | Confident | 89 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -179.8 | -170.1 | 65.7 | 0 | 0 | 0 | 112.4 | M1 S2 S7 L8 L63 V67 M71 | M1-L4 PolarHBondContact O-N 3Å; S2-L4 PolarHBondContact O-N 2.9Å; L4-S7 PolarHBondContact O-N 3.25Å; L4-L8 HydrophobicContact CG-CD1 4.23Å; L4-L8 WeakPolarHBondContact O-CB 3.22Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.12Å; L4-L63 HydrophobicContact CB-CD1 4.46Å; L4-L63 HydrophobicContact CB-CD2 4.26Å; L4-L63 HydrophobicContact CD1-CD1 4.1Å; L4-L63 HydrophobicContact CD1-CD2 4.22Å; L4-V67 HydrophobicContact CD1-CG1 3.96Å; L4-M71 HydrophobicContact CD1-CE 3.37Å; L4-M71 HydrophobicContact CG-CE 4.32Å |
| 5 | N | 91.2 | Very high | 89.4 | Confident | 99 Ų | 99 | 54 Ų | 54 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 178.8 | -69.3 | -7.2 | 0 | 0 | 0 | 111.8 | M1 S2 G3 L8 G9 | M1-N5 PolarHBondContact O-N 3.37Å; S2-N5 PolarHBondContact O-N 3.1Å; G3-N5 VanDerWaalsContact C-N 3.33Å; G3-N5 PolarHBondContact O-N 3.37Å; N5-L8 PolarHBondContact O-N 2.97Å; N5-G9 PolarHBondContact O-N 2.95Å |
| 6 | A | 91.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S2 G3 L8 G9 Y10 Y128 T134 | S2-A6 PolarHBondContact O-N 3.08Å; G3-A6 PolarHBondContact O-N 3.03Å; A6-L8 PolarHBondContact O-N 2.76Å; A6-G9 PolarHBondContact O-N 3.46Å; A6-Y10 PolarHBondContact O-N 2.84Å; A6-Y128 VanDerWaalsContact C-OH 3.3Å; A6-Y128 PolarHBondContact O-OH 3.48Å; A6-T134 HydrophobicContact CB-CG2 3.67Å |
| 7 | S | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | G3 L4 G9 Y10 F11 E49 | G3-S7 PolarHBondContact O-N 2.97Å; G3-S7 PolarHBondContact O-OG 2.94Å; L4-S7 PolarHBondContact O-N 3.25Å; S7-G9 PolarHBondContact O-N 3.1Å; S7-Y10 WeakPolarHBondContact O-CB 3.45Å; S7-Y10 PolarHBondContact O-N 3.26Å; S7-Y10 VanDerWaalsContact O-N 3.16Å; S7-F11 VanDerWaalsContact C-CD2 3.48Å; S7-F11 WeakPolarHBondContact O-CD2 3.43Å; S7-F11 PolarHBondContact O-N 2.98Å; S7-E49 WeakPolarHBondContact CA-OE1 3.39Å; S7-E49 VanDerWaalsContact CB-OE1 3.22Å; S7-E49 WeakPolarHBondContact CB-OE1 3.43Å; S7-E49 PolarHBondContact OG-OE1 3.02Å |
| 8 | L | 93 | Very high | 90.1 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 176 | -77.1 | 173.7 | 0 | 0 | 0 | 112.7 | L4 N5 A6 Y10 F11 L12 M71 | L4-L8 HydrophobicContact CG-CD1 4.23Å; L4-L8 WeakPolarHBondContact O-CB 3.22Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.12Å; N5-L8 PolarHBondContact O-N 2.97Å; A6-L8 PolarHBondContact O-N 2.76Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 2.88Å; L8-F11 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.33Å; L8-M71 HydrophobicContact CD2-CE 3.72Å; L8-M71 HydrophobicContact CD2-SD 4.28Å; L8-M71 HydrophobicContact CG-CE 4.09Å |
| 9 | G | 94.4 | Very high | 90.2 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N5 A6 S7 S13 | N5-G9 PolarHBondContact O-N 2.95Å; A6-G9 PolarHBondContact O-N 3.46Å; S7-G9 PolarHBondContact O-N 3.1Å; G9-S13 WeakPolarHBondContact O-CB 3.37Å; G9-S13 PolarHBondContact O-N 3.23Å; G9-S13 PolarHBondContact O-OG 3.24Å |
| 10 | Y | 94.9 | Very high | 90.3 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 174.1 | 179 | -102.8 | 0 | 0 | 0 | 112.5 | A6 S7 L8 L12 S13 V14 A45 E49 A125 Y128 | A6-Y10 PolarHBondContact O-N 2.84Å; S7-Y10 WeakPolarHBondContact O-CB 3.45Å; S7-Y10 PolarHBondContact O-N 3.26Å; S7-Y10 VanDerWaalsContact O-N 3.16Å; L8-Y10 VanDerWaalsContact C-N 3.29Å; L8-Y10 PolarHBondContact O-N 2.88Å; Y10-L12 VanDerWaalsContact C-N 3.3Å; Y10-L12 PolarHBondContact O-N 3.37Å; Y10-S13 PolarHBondContact O-N 2.94Å; Y10-S13 VanDerWaalsContact O-N 3.14Å; Y10-V14 HydrophobicContact CD1-CG2 4.39Å; Y10-V14 HydrophobicContact CD2-CG2 4.42Å; Y10-V14 HydrophobicContact CE1-CG2 4.04Å; Y10-V14 HydrophobicContact CE2-CG2 4.07Å; Y10-V14 WeakPolarHBondContact O-CG2 3.31Å; Y10-V14 PolarHBondContact O-N 3.25Å; Y10-A45 VanDerWaalsContact CE1-O 3.31Å; Y10-A45 WeakPolarHBondContact CE1-O 3.44Å; Y10-A45 WeakPolarHBondContact OH-CB 3.39Å; Y10-A45 PolarHBondContact OH-O 3.41Å; Y10-E49 HydrophobicContact CD1-CB 3.81Å; Y10-E49 HydrophobicContact CD1-CG 3.94Å; Y10-E49 HydrophobicContact CE1-CB 3.83Å; Y10-E49 HydrophobicContact CE1-CG 4.45Å; Y10-A125 WeakPolarHBondContact OH-CA 3.31Å; Y10-A125 PolarHBondContact OH-N 2.89Å; Y10-Y128 AromaticContact CD2-CD1 3.64Å; Y10-Y128 HydrophobicContact CD2-CD1 3.64Å; Y10-Y128 AromaticContact CD2-CD2 3.63Å; Y10-Y128 HydrophobicContact CD2-CD2 3.63Å; Y10-Y128 AromaticContact CD2-CE1 3.92Å; Y10-Y128 HydrophobicContact CD2-CE1 3.92Å; Y10-Y128 AromaticContact CD2-CE2 3.93Å; Y10-Y128 HydrophobicContact CD2-CE2 3.93Å; Y10-Y128 AromaticContact CD2-CG 3.49Å; Y10-Y128 HydrophobicContact CD2-CG 3.49Å; Y10-Y128 VanDerWaalsContact CD2-CG 3.49Å; Y10-Y128 HydrophobicContact CE2-CD1 4.04Å; Y10-Y128 HydrophobicContact CE2-CD2 4.18Å; Y10-Y128 AromaticContact CE2-CG 3.73Å; Y10-Y128 HydrophobicContact CE2-CG 3.73Å; Y10-Y128 AromaticContact CG-CD1 3.91Å; Y10-Y128 HydrophobicContact CG-CD1 3.91Å; Y10-Y128 HydrophobicContact CG-CD2 4.45Å; Y10-Y128 AromaticContact CG-CE1 3.83Å; Y10-Y128 HydrophobicContact CG-CE1 3.83Å; Y10-Y128 HydrophobicContact CG-CE2 4.4Å; Y10-Y128 HydrophobicContact CG-CG 4.23Å |
| 11 | F | 95.2 | Very high | 90.3 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.3 | -46.6 | 174.8 | -71.9 | -70 | 0 | 0 | 0 | 111.4 | S7 L8 S13 V14 V15 C46 E49 I50 M71 | S7-F11 VanDerWaalsContact C-CD2 3.48Å; S7-F11 WeakPolarHBondContact O-CD2 3.43Å; S7-F11 PolarHBondContact O-N 2.98Å; L8-F11 PolarHBondContact O-N 3.45Å; F11-S13 PolarHBondContact O-N 2.99Å; F11-V14 PolarHBondContact O-N 3.02Å; F11-V15 WeakPolarHBondContact O-CB 3.22Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 3.21Å; F11-C46 HydrophobicContact CD1-CB 3.66Å; F11-C46 VanDerWaalsContact CD1-SG 3.59Å; F11-C46 HydrophobicContact CE1-CB 3.6Å; F11-C46 WeakPolarHBondContact CE1-O 3.18Å; F11-E49 HydrophobicContact CE2-CG 4.09Å; F11-E49 HydrophobicContact CZ-CB 4.12Å; F11-E49 HydrophobicContact CZ-CG 4.02Å; F11-I50 HydrophobicContact CE1-CD1 4.27Å; F11-I50 HydrophobicContact CE1-CG1 3.95Å; F11-I50 HydrophobicContact CZ-CD1 4.33Å; F11-I50 HydrophobicContact CZ-CG1 3.61Å; F11-M71 HydrophobicContact CE2-SD 4.34Å |
| 12 | L | 95.9 | Very high | 91.5 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 177.8 | -72.9 | 172.1 | 0 | 0 | 0 | 111.7 | L8 Y10 V15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.33Å; Y10-L12 VanDerWaalsContact C-N 3.3Å; Y10-L12 PolarHBondContact O-N 3.37Å; L12-V15 PolarHBondContact O-N 2.96Å; L12-V16 WeakPolarHBondContact O-CB 3.24Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.45Å |
| 13 | S | 95.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | G9 Y10 F11 V16 F17 | G9-S13 WeakPolarHBondContact O-CB 3.37Å; G9-S13 PolarHBondContact O-N 3.23Å; G9-S13 PolarHBondContact O-OG 3.24Å; Y10-S13 PolarHBondContact O-N 2.94Å; Y10-S13 VanDerWaalsContact O-N 3.14Å; F11-S13 PolarHBondContact O-N 2.99Å; S13-V16 PolarHBondContact O-N 3.02Å; S13-F17 WeakPolarHBondContact O-CB 3.46Å; S13-F17 PolarHBondContact O-N 2.95Å |
| 14 | V | 96.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | Y10 F11 F17 A18 F41 M42 A45 C46 | Y10-V14 HydrophobicContact CD1-CG2 4.39Å; Y10-V14 HydrophobicContact CD2-CG2 4.42Å; Y10-V14 HydrophobicContact CE1-CG2 4.04Å; Y10-V14 HydrophobicContact CE2-CG2 4.07Å; Y10-V14 WeakPolarHBondContact O-CG2 3.31Å; Y10-V14 PolarHBondContact O-N 3.25Å; F11-V14 PolarHBondContact O-N 3.02Å; V14-F17 PolarHBondContact O-N 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.48Å; V14-F41 HydrophobicContact CG1-CD1 4.25Å; V14-F41 HydrophobicContact CG1-CE1 3.83Å; V14-F41 HydrophobicContact CG2-CE1 4.49Å; V14-M42 HydrophobicContact CG1-CB 4.1Å; V14-M42 HydrophobicContact CG1-CG 4.06Å; V14-A45 HydrophobicContact CG1-CB 4.05Å; V14-A45 HydrophobicContact CG2-CB 4.02Å; V14-C46 VanDerWaalsContact CG1-SG 3.53Å |
| 15 | V | 94.7 | Very high | 92.1 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -48 | 176.2 | 163.2 | 0 | 0 | 0 | 0 | 111.1 | F11 L12 F17 A18 V19 M42 T78 L82 | F11-V15 WeakPolarHBondContact O-CB 3.22Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 3.21Å; L12-V15 PolarHBondContact O-N 2.96Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.23Å; V15-A18 PolarHBondContact O-N 2.92Å; V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 3.32Å; V15-M42 HydrophobicContact CG2-CE 3.69Å; V15-M42 HydrophobicContact CG2-SD 4.44Å; V15-T78 HydrophobicContact CG2-CG2 4.09Å; V15-L82 HydrophobicContact CG1-CD1 3.56Å; V15-L82 HydrophobicContact CG2-CD1 4.48Å |
| 16 | V | 95.2 | Very high | 91.4 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 178 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | L12 S13 A18 V19 L20 | L12-V16 WeakPolarHBondContact O-CB 3.24Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.45Å; S13-V16 PolarHBondContact O-N 3.02Å; V16-A18 PolarHBondContact O-N 2.96Å; V16-V19 PolarHBondContact O-N 3.25Å; V16-L20 HydrophobicContact CG1-CD1 3.76Å; V16-L20 HydrophobicContact CG1-CG 4.22Å; V16-L20 WeakPolarHBondContact O-CB 3.32Å; V16-L20 VanDerWaalsContact O-CG 3.22Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.1Å |
| 17 | F | 93.8 | Very high | 90.8 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57 | -49.5 | 175.7 | 174.9 | -96.4 | 0 | 0 | 0 | 112.1 | S13 V14 V15 V19 L20 V21 F41 | S13-F17 WeakPolarHBondContact O-CB 3.46Å; S13-F17 PolarHBondContact O-N 2.95Å; V14-F17 PolarHBondContact O-N 3.3Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.23Å; F17-V19 VanDerWaalsContact C-N 3.35Å; F17-V19 PolarHBondContact O-N 3.18Å; F17-L20 PolarHBondContact O-N 3.39Å; F17-V21 HydrophobicContact CD1-CG2 4.38Å; F17-V21 HydrophobicContact CD2-CG2 4.39Å; F17-V21 HydrophobicContact CE1-CG2 3.98Å; F17-V21 HydrophobicContact CE2-CG2 3.99Å; F17-V21 HydrophobicContact CZ-CG2 3.77Å; F17-V21 WeakPolarHBondContact O-CG2 3.37Å; F17-V21 PolarHBondContact O-N 2.95Å; F17-F41 AromaticContact CD1-CD1 3.58Å; F17-F41 HydrophobicContact CD1-CD1 3.58Å; F17-F41 AromaticContact CD1-CE1 3.33Å; F17-F41 HydrophobicContact CD1-CE1 3.33Å; F17-F41 HydrophobicContact CD1-CZ 4.19Å; F17-F41 AromaticContact CE1-CD1 3.69Å; F17-F41 HydrophobicContact CE1-CD1 3.69Å; F17-F41 AromaticContact CE1-CE1 3.71Å; F17-F41 HydrophobicContact CE1-CE1 3.71Å; F17-F41 HydrophobicContact CE1-CG 4.3Å; F17-F41 HydrophobicContact CE1-CZ 4.35Å; F17-F41 HydrophobicContact CG-CE1 4.2Å |
| 18 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V14 V15 V16 V21 Q22 M42 | V14-A18 WeakPolarHBondContact O-CB 3.39Å; V14-A18 PolarHBondContact O-N 3.48Å; V15-A18 PolarHBondContact O-N 2.92Å; V16-A18 PolarHBondContact O-N 2.96Å; A18-V21 PolarHBondContact O-N 3.29Å; A18-Q22 WeakPolarHBondContact O-CB 3.39Å; A18-Q22 WeakPolarHBondContact O-CG 3.46Å; A18-Q22 PolarHBondContact O-N 3.28Å; A18-M42 HydrophobicContact CB-CB 4.09Å; A18-M42 HydrophobicContact CB-SD 4.15Å |
| 19 | V | 92.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | V15 V16 F17 Q22 T23 L82 | V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.42Å; V15-V19 PolarHBondContact O-N 3.32Å; V16-V19 PolarHBondContact O-N 3.25Å; F17-V19 VanDerWaalsContact C-N 3.35Å; F17-V19 PolarHBondContact O-N 3.18Å; V19-Q22 PolarHBondContact O-N 3.18Å; V19-T23 HydrophobicContact CG1-CG2 4.07Å; V19-T23 WeakPolarHBondContact O-CB 3.3Å; V19-T23 VanDerWaalsContact O-CG2 3.24Å; V19-T23 WeakPolarHBondContact O-CG2 3.25Å; V19-T23 PolarHBondContact O-N 2.7Å; V19-T23 PolarHBondContact O-OG1 3.45Å; V19-L82 HydrophobicContact CG2-CD1 3.78Å; V19-L82 HydrophobicContact CG2-CD2 3.93Å; V19-L82 HydrophobicContact CG2-CG 4.3Å |
| 20 | L | 92.2 | Very high | 89 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177 | -73 | 173 | 0 | 0 | 0 | 111.4 | V16 F17 Q22 T23 L24 | V16-L20 HydrophobicContact CG1-CD1 3.76Å; V16-L20 HydrophobicContact CG1-CG 4.22Å; V16-L20 WeakPolarHBondContact O-CB 3.32Å; V16-L20 VanDerWaalsContact O-CG 3.22Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.1Å; F17-L20 PolarHBondContact O-N 3.39Å; L20-Q22 PolarHBondContact O-N 2.91Å; L20-T23 WeakPolarHBondContact CA-OG1 3.37Å; L20-T23 PolarHBondContact O-N 2.94Å; L20-T23 PolarHBondContact O-OG1 2.98Å; L20-L24 VanDerWaalsContact O-CB 3.22Å; L20-L24 WeakPolarHBondContact O-CB 3.11Å; L20-L24 PolarHBondContact O-N 2.95Å |
| 21 | V | 90 | Very high | 88.4 | Confident | 25 Ų | 25 | 86.8 Ų | 86.8 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | F17 A18 L25 V34 A38 | F17-V21 HydrophobicContact CD1-CG2 4.38Å; F17-V21 HydrophobicContact CD2-CG2 4.39Å; F17-V21 HydrophobicContact CE1-CG2 3.98Å; F17-V21 HydrophobicContact CE2-CG2 3.99Å; F17-V21 HydrophobicContact CZ-CG2 3.77Å; F17-V21 WeakPolarHBondContact O-CG2 3.37Å; F17-V21 PolarHBondContact O-N 2.95Å; A18-V21 PolarHBondContact O-N 3.29Å; V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 WeakPolarHBondContact O-CB 3.22Å; V21-L25 VanDerWaalsContact O-CG 3.31Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.26Å; V21-L25 VanDerWaalsContact O-N 3.08Å; V21-V34 HydrophobicContact CG1-CG1 3.93Å; V21-A38 HydrophobicContact CB-CB 4.11Å; V21-A38 HydrophobicContact CG1-CB 3.86Å |
| 22 | Q | 86.6 | Confident | 87.9 | Confident | 27 Ų | 27 | 89.2 Ų | 89.2 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | -179.8 | -72.9 | 173.5 | 17.5 | 0 | 0 | 112.5 | A18 V19 L20 R26 A38 L82 C83 | A18-Q22 WeakPolarHBondContact O-CB 3.39Å; A18-Q22 WeakPolarHBondContact O-CG 3.46Å; A18-Q22 PolarHBondContact O-N 3.28Å; V19-Q22 PolarHBondContact O-N 3.18Å; L20-Q22 PolarHBondContact O-N 2.91Å; Q22-R26 WeakPolarHBondContact O-CB 3.36Å; Q22-R26 PolarHBondContact O-N 3.45Å; Q22-A38 HydrophobicContact CG-CB 4.44Å; Q22-L82 PolarHBondContact OE1-O 3.21Å; Q22-C83 PolarHBondContact NE2-SG 3.36Å |
| 23 | T | 86.7 | Confident | 87.4 | Confident | 76 Ų | 76 | 86.7 Ų | 86.7 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | -180 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | V19 L20 | V19-T23 HydrophobicContact CG1-CG2 4.07Å; V19-T23 WeakPolarHBondContact O-CB 3.3Å; V19-T23 VanDerWaalsContact O-CG2 3.24Å; V19-T23 WeakPolarHBondContact O-CG2 3.25Å; V19-T23 PolarHBondContact O-N 2.7Å; V19-T23 PolarHBondContact O-OG1 3.45Å; L20-T23 WeakPolarHBondContact CA-OG1 3.37Å; L20-T23 PolarHBondContact O-N 2.94Å; L20-T23 PolarHBondContact O-OG1 2.98Å |
| 24 | L | 87.1 | Confident | 87.2 | Confident | 120 Ų | 120 | 84.4 Ų | 84.4 | 63% | 0.628 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 176.9 | -177 | 62.4 | 0 | 0 | 0 | 111.6 | L20 | L20-L24 VanDerWaalsContact O-CB 3.22Å; L20-L24 WeakPolarHBondContact O-CB 3.11Å; L20-L24 PolarHBondContact O-N 2.95Å |
| 25 | L | 83.5 | Confident | 87 | Confident | 36 Ų | 36 | 85.1 Ų | 85.1 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -89.1 | -8.8 | -173.7 | -61.1 | 177.1 | 0 | 0 | 0 | 113.9 | V21 K27 W28 F31 V34 | V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 WeakPolarHBondContact O-CB 3.22Å; V21-L25 VanDerWaalsContact O-CG 3.31Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.26Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L25-K27 PolarHBondContact O-N 3.38Å; L25-K27 VanDerWaalsContact O-N 3.1Å; L25-W28 CarbonylContact O-C 3.58Å; L25-W28 PolarHBondContact O-N 2.97Å; L25-F31 HydrophobicContact CD2-CB 4.49Å; L25-V34 HydrophobicContact CD1-CB 3.41Å; L25-V34 VanDerWaalsContact CD1-CB 3.41Å; L25-V34 HydrophobicContact CD1-CG1 3.18Å; L25-V34 HydrophobicContact CD1-CG2 4.1Å |
| 26 | R | 77.4 | Confident | 87 | Confident | 220 Ų | 220 | 84.3 Ų | 84.3 | 83% | 0.83 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.9 | 171.5 | -164.4 | 171.7 | -177.4 | 175.1 | 0.8 | 112.8 | Q22 W28 | Q22-R26 WeakPolarHBondContact O-CB 3.36Å; Q22-R26 PolarHBondContact O-N 3.45Å; R26-W28 VanDerWaalsContact C-N 3.32Å |
| 27 | K | 78.4 | Confident | 87.1 | Confident | 175 Ų | 175 | 82.6 Ų | 82.6 | 76% | 0.761 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.5 | 177.4 | -63.2 | -176.3 | 179.7 | -179.4 | 0 | 113.6 | L25 P29 | L25-K27 PolarHBondContact O-N 3.38Å; L25-K27 VanDerWaalsContact O-N 3.1Å; K27-P29 WeakPolarHBondContact O-CD 3.46Å |
| 28 | W | 83.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 78.6 Ų | 78.6 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | trans | -123.9 | 82 | -171.1 | -59.4 | 77.2 | 0 | 0 | 0 | 111.1 | L25 R26 R30 F31 | L25-W28 CarbonylContact O-C 3.58Å; L25-W28 PolarHBondContact O-N 2.97Å; R26-W28 VanDerWaalsContact C-N 3.32Å; W28-R30 PolarHBondContact O-N 3.43Å; W28-F31 HydrophobicContact CB-CD2 3.86Å; W28-F31 HydrophobicContact CE3-CD2 4.42Å; W28-F31 HydrophobicContact CE3-CE2 4.14Å; W28-F31 PolarHBondContact O-N 3.24Å | ||
| 29 | P | 78 | Confident | 87.4 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -61.1 | -20.9 | -173.3 | 23.3 | -33.7 | 0 | 0 | 0 | 114.1 | K27 F31 S32 | K27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-F31 PolarHBondContact O-N 2.91Å; P29-S32 WeakPolarHBondContact O-CB 3.27Å; P29-S32 PolarHBondContact O-N 2.99Å; P29-S32 PolarHBondContact O-OG 3.41Å |
| 30 | R | 79.1 | Confident | 87.6 | Confident | 228 Ų | 228 | 76.4 Ų | 76.4 | 86% | 0.86 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -63.9 | -26.6 | 173.9 | -67.4 | -177 | 177.3 | 146.8 | -0.9 | 113.2 | W28 | W28-R30 PolarHBondContact O-N 3.43Š|
| 31 | F | 83 | Confident | 87.9 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -102.8 | 25.8 | -179.5 | -61.8 | -65.3 | 0 | 0 | 0 | 112.6 | L25 W28 P29 F33 V34 | L25-F31 HydrophobicContact CD2-CB 4.49Å; W28-F31 HydrophobicContact CB-CD2 3.86Å; W28-F31 HydrophobicContact CE3-CD2 4.42Å; W28-F31 HydrophobicContact CE3-CE2 4.14Å; W28-F31 PolarHBondContact O-N 3.24Å; P29-F31 PolarHBondContact O-N 2.91Å; F31-F33 AromaticContact CD1-CE1 3.87Å; F31-F33 HydrophobicContact CD1-CE1 3.87Å; F31-F33 AromaticContact CD1-CZ 3.98Å; F31-F33 HydrophobicContact CD1-CZ 3.98Å; F31-F33 PolarHBondContact O-N 3.36Å; F31-F33 VanDerWaalsContact O-N 3.12Å; F31-V34 HydrophobicContact CB-CG2 4.05Å; F31-V34 WeakPolarHBondContact O-CB 3.47Å; F31-V34 WeakPolarHBondContact O-CG2 3.44Å; F31-V34 PolarHBondContact O-N 3.32Å |
| 32 | S | 83.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 71 Ų | 71 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.5 | -27.3 | -179.7 | 57 | 0 | 0 | 0 | 0 | 113.8 | P29 V34 S35 | P29-S32 WeakPolarHBondContact O-CB 3.27Å; P29-S32 PolarHBondContact O-N 2.99Å; P29-S32 PolarHBondContact O-OG 3.41Å; S32-V34 PolarHBondContact O-N 2.77Å; S32-S35 WeakPolarHBondContact O-CB 3.5Å; S32-S35 PolarHBondContact O-N 3.48Å |
| 33 | F | 87.3 | Confident | 88.7 | Confident | 60 Ų | 60 | 70.1 Ų | 70.1 | 26% | 0.263 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64 | -25.4 | 174.6 | 68 | -93.1 | 0 | 0 | 0 | 113.2 | F31 S35 E36 F37 L109 A113 | F31-F33 AromaticContact CD1-CE1 3.87Å; F31-F33 HydrophobicContact CD1-CE1 3.87Å; F31-F33 AromaticContact CD1-CZ 3.98Å; F31-F33 HydrophobicContact CD1-CZ 3.98Å; F31-F33 PolarHBondContact O-N 3.36Å; F31-F33 VanDerWaalsContact O-N 3.12Å; F33-S35 PolarHBondContact O-N 3.08Å; F33-E36 WeakPolarHBondContact O-CB 3.32Å; F33-E36 PolarHBondContact O-N 3.29Å; F33-E36 VanDerWaalsContact O-N 3.1Å; F33-F37 PolarHBondContact O-N 3.4Å; F33-L109 HydrophobicContact CB-CB 3.94Å; F33-L109 HydrophobicContact CD1-CB 4.33Å; F33-L109 HydrophobicContact CD1-CD1 4.26Å; F33-L109 HydrophobicContact CG-CB 4.09Å; F33-A113 HydrophobicContact CB-CB 4.35Å; F33-A113 HydrophobicContact CD2-CB 4.03Å; F33-A113 VanDerWaalsContact O-CB 3.22Å; F33-A113 WeakPolarHBondContact O-CB 3.34Å |
| 34 | V | 90.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.9 | -25 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | V21 L25 F31 S32 E36 F37 A38 | V21-V34 HydrophobicContact CG1-CG1 3.93Å; L25-V34 HydrophobicContact CD1-CB 3.41Å; L25-V34 VanDerWaalsContact CD1-CB 3.41Å; L25-V34 HydrophobicContact CD1-CG1 3.18Å; L25-V34 HydrophobicContact CD1-CG2 4.1Å; F31-V34 HydrophobicContact CB-CG2 4.05Å; F31-V34 WeakPolarHBondContact O-CB 3.47Å; F31-V34 WeakPolarHBondContact O-CG2 3.44Å; F31-V34 PolarHBondContact O-N 3.32Å; S32-V34 PolarHBondContact O-N 2.77Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.14Å; V34-F37 VanDerWaalsContact O-CB 3.3Å; V34-F37 WeakPolarHBondContact O-CB 3.23Å; V34-F37 PolarHBondContact O-N 2.96Å; V34-A38 PolarHBondContact O-N 2.98Å |
| 35 | S | 91.9 | Very high | 89.7 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -33 | 170.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | S32 F33 A38 A39 | S32-S35 WeakPolarHBondContact O-CB 3.5Å; S32-S35 PolarHBondContact O-N 3.48Å; F33-S35 PolarHBondContact O-N 3.08Å; S35-A38 PolarHBondContact O-N 3.13Å; S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 2.88Å |
| 36 | E | 95.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.7 | -34 | 172.3 | -70 | -73.3 | 177.1 | 0 | 0 | 111.9 | F33 V34 S40 T86 S87 G88 A110 Q114 | F33-E36 WeakPolarHBondContact O-CB 3.32Å; F33-E36 PolarHBondContact O-N 3.29Å; F33-E36 VanDerWaalsContact O-N 3.1Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.14Å; E36-S40 WeakPolarHBondContact O-CB 3.21Å; E36-S40 PolarHBondContact O-N 3.12Å; E36-T86 HydrophobicContact CG-CG2 3.87Å; E36-T86 VanDerWaalsContact OE1-CA 3.23Å; E36-T86 WeakPolarHBondContact OE1-CA 3.38Å; E36-T86 WeakPolarHBondContact OE1-CB 3.34Å; E36-S87 PolarHBondContact OE1-N 2.85Å; E36-S87 PolarHBondContact OE2-N 3.34Å; E36-S87 VanDerWaalsContact OE2-N 3.11Å; E36-G88 PolarHBondContact OE2-N 2.9Å; E36-A110 HydrophobicContact CB-CB 4.42Å; E36-A110 HydrophobicContact CG-CB 4.01Å; E36-Q114 HydrophobicContact CB-CG 3.96Å; E36-Q114 PolarHBondContact OE2-NE2 3.4Å |
| 37 | F | 96.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 20% | 0.202 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -52 | 169.2 | 170.7 | -85.7 | 0 | 0 | 0 | 111.4 | F33 V34 A39 S40 F41 A113 A116 G117 L120 | F33-F37 PolarHBondContact O-N 3.4Å; V34-F37 VanDerWaalsContact O-CB 3.3Å; V34-F37 WeakPolarHBondContact O-CB 3.23Å; V34-F37 PolarHBondContact O-N 2.96Å; F37-A39 VanDerWaalsContact C-N 3.32Å; F37-A39 PolarHBondContact O-N 3.37Å; F37-S40 PolarHBondContact O-N 3.28Å; F37-F41 VanDerWaalsContact O-CB 3.31Å; F37-F41 WeakPolarHBondContact O-CB 3.18Å; F37-F41 PolarHBondContact O-N 2.89Å; F37-A113 WeakPolarHBondContact CA-O 3.44Å; F37-A113 HydrophobicContact CB-CB 4.02Å; F37-A113 WeakPolarHBondContact CD2-O 3.45Å; F37-A116 HydrophobicContact CD2-CB 3.92Å; F37-A116 HydrophobicContact CE2-CB 4.01Å; F37-G117 VanDerWaalsContact CD2-CA 3.4Å; F37-G117 VanDerWaalsContact CE2-CA 3.49Å; F37-L120 HydrophobicContact CE1-CD2 4.13Å; F37-L120 HydrophobicContact CZ-CB 4.22Å; F37-L120 HydrophobicContact CZ-CD2 3.52Å |
| 38 | A | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V21 Q22 V34 S35 M42 | V21-A38 HydrophobicContact CB-CB 4.11Å; V21-A38 HydrophobicContact CG1-CB 3.86Å; Q22-A38 HydrophobicContact CG-CB 4.44Å; V34-A38 PolarHBondContact O-N 2.98Å; S35-A38 PolarHBondContact O-N 3.13Å; A38-M42 WeakPolarHBondContact O-CB 3.46Å; A38-M42 PolarHBondContact O-N 3.49Å |
| 39 | A | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S35 F37 M42 L43 H79 C83 | S35-A39 WeakPolarHBondContact O-CB 3.47Å; S35-A39 PolarHBondContact O-N 2.88Å; F37-A39 VanDerWaalsContact C-N 3.32Å; F37-A39 PolarHBondContact O-N 3.37Å; A39-M42 PolarHBondContact O-N 2.95Å; A39-L43 PolarHBondContact O-N 2.92Å; A39-H79 PolarHBondContact O-NE2 2.88Å; A39-C83 HydrophobicContact CB-CB 4.09Å |
| 40 | S | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 178.3 | -167.7 | 0 | 0 | 0 | 0 | 112.5 | E36 F37 M42 L43 V44 Q114 S210 | E36-S40 WeakPolarHBondContact O-CB 3.21Å; E36-S40 PolarHBondContact O-N 3.12Å; F37-S40 PolarHBondContact O-N 3.28Å; S40-M42 PolarHBondContact O-N 2.93Å; S40-L43 PolarHBondContact O-N 2.66Å; S40-V44 WeakPolarHBondContact O-CG2 3.34Å; S40-V44 PolarHBondContact O-N 2.65Å; S40-Q114 WeakPolarHBondContact CB-O 3.43Å; S40-Q114 PolarHBondContact OG-O 3.02Å; S40-S210 PolarHBondContact OG-OG 2.05Å |
| 41 | F | 97.7 | Very high | 94 | Very high | 14 Ų | 14 | 19.5 Ų | 19.5 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.4 | -51.5 | 172.4 | 169.1 | -97.9 | 0 | 0 | 0 | 111.4 | V14 F17 F37 L43 V44 A45 G117 L120 A124 | V14-F41 HydrophobicContact CG1-CD1 4.25Å; V14-F41 HydrophobicContact CG1-CE1 3.83Å; V14-F41 HydrophobicContact CG2-CE1 4.49Å; F17-F41 AromaticContact CD1-CD1 3.58Å; F17-F41 HydrophobicContact CD1-CD1 3.58Å; F17-F41 AromaticContact CD1-CE1 3.33Å; F17-F41 HydrophobicContact CD1-CE1 3.33Å; F17-F41 HydrophobicContact CD1-CZ 4.19Å; F17-F41 AromaticContact CE1-CD1 3.69Å; F17-F41 HydrophobicContact CE1-CD1 3.69Å; F17-F41 AromaticContact CE1-CE1 3.71Å; F17-F41 HydrophobicContact CE1-CE1 3.71Å; F17-F41 HydrophobicContact CE1-CG 4.3Å; F17-F41 HydrophobicContact CE1-CZ 4.35Å; F17-F41 HydrophobicContact CG-CE1 4.2Å; F37-F41 VanDerWaalsContact O-CB 3.31Å; F37-F41 WeakPolarHBondContact O-CB 3.18Å; F37-F41 PolarHBondContact O-N 2.89Å; F41-L43 PolarHBondContact O-N 3.25Å; F41-V44 PolarHBondContact O-N 3.43Å; F41-A45 HydrophobicContact CE2-CB 4.37Å; F41-A45 HydrophobicContact CZ-CB 4.33Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 3.4Å; F41-G117 VanDerWaalsContact CA-O 3.29Å; F41-G117 WeakPolarHBondContact CA-O 3.45Å; F41-L120 HydrophobicContact CD2-CB 4.02Å; F41-L120 HydrophobicContact CD2-CD2 4.01Å; F41-L120 HydrophobicContact CD2-CG 3.87Å; F41-L120 HydrophobicContact CE2-CB 4.45Å; F41-L120 HydrophobicContact CE2-CD2 4.1Å; F41-L120 HydrophobicContact CE2-CG 3.86Å; F41-A124 HydrophobicContact CE2-CB 3.85Å; F41-A124 HydrophobicContact CZ-CB 4.2Å |
| 42 | M | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 178.9 | 176.3 | -177.9 | 167.5 | 0 | 0 | 111.7 | V14 V15 A18 A38 A39 S40 C46 L75 T78 H79 L82 | V14-M42 HydrophobicContact CG1-CB 4.1Å; V14-M42 HydrophobicContact CG1-CG 4.06Å; V15-M42 HydrophobicContact CG2-CE 3.69Å; V15-M42 HydrophobicContact CG2-SD 4.44Å; A18-M42 HydrophobicContact CB-CB 4.09Å; A18-M42 HydrophobicContact CB-SD 4.15Å; A38-M42 WeakPolarHBondContact O-CB 3.46Å; A38-M42 PolarHBondContact O-N 3.49Å; A39-M42 PolarHBondContact O-N 2.95Å; S40-M42 PolarHBondContact O-N 2.93Å; M42-C46 WeakPolarHBondContact O-CB 3.31Å; M42-C46 PolarHBondContact O-N 3.18Å; M42-C46 VanDerWaalsContact O-N 3.17Å; M42-C46 PolarHBondContact O-SG 2.92Å; M42-L75 HydrophobicContact CE-CD1 4.12Å; M42-T78 HydrophobicContact CE-CG2 3.91Å; M42-H79 HydrophobicContact CE-CB 4.03Å; M42-L82 HydrophobicContact CE-CD1 4.42Å |
| 43 | L | 96.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 11.7 Ų | 11.7 | 5% | 0.047 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.9 | -52.4 | 178.6 | -76.3 | 175.4 | 0 | 0 | 0 | 111.7 | A39 S40 F41 W47 L76 H79 L211 | A39-L43 PolarHBondContact O-N 2.92Å; S40-L43 PolarHBondContact O-N 2.66Å; F41-L43 PolarHBondContact O-N 3.25Å; L43-W47 WeakPolarHBondContact O-CB 3.36Å; L43-W47 PolarHBondContact O-N 3.31Å; L43-L76 HydrophobicContact CD2-CD2 4.34Å; L43-H79 HydrophobicContact CD2-CB 3.96Å; L43-H79 VanDerWaalsContact CG-CD2 3.45Å; L43-H79 WeakPolarHBondContact CG-CD2 3.29Å; L43-L211 HydrophobicContact CB-CD1 4.37Å |
| 44 | V | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | -175.2 | 177 | 0 | 0 | 0 | 0 | 111.6 | S40 F41 C46 W47 L48 A118 L211 | S40-V44 WeakPolarHBondContact O-CG2 3.34Å; S40-V44 PolarHBondContact O-N 2.65Å; F41-V44 PolarHBondContact O-N 3.43Å; V44-C46 PolarHBondContact O-N 3.48Å; V44-W47 PolarHBondContact O-N 3.4Å; V44-L48 HydrophobicContact CG1-CD1 3.83Å; V44-L48 HydrophobicContact CG1-CG 4.35Å; V44-L48 WeakPolarHBondContact O-CG 3.28Å; V44-L48 PolarHBondContact O-N 3.25Å; V44-A118 HydrophobicContact CB-CB 4.5Å; V44-A118 WeakPolarHBondContact CG1-O 3.28Å; V44-A118 HydrophobicContact CG2-CB 3.63Å; V44-L211 HydrophobicContact CG2-CD1 3.84Å |
| 45 | A | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.3 | -51.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y10 V14 F41 E49 | Y10-A45 VanDerWaalsContact CE1-O 3.31Å; Y10-A45 WeakPolarHBondContact CE1-O 3.44Å; Y10-A45 WeakPolarHBondContact OH-CB 3.39Å; Y10-A45 PolarHBondContact OH-O 3.41Å; V14-A45 HydrophobicContact CG1-CB 4.05Å; V14-A45 HydrophobicContact CG2-CB 4.02Å; F41-A45 HydrophobicContact CE2-CB 4.37Å; F41-A45 HydrophobicContact CZ-CB 4.33Å; F41-A45 WeakPolarHBondContact O-CB 3.49Å; F41-A45 PolarHBondContact O-N 3.4Å; A45-E49 PolarHBondContact O-N 2.98Å |
| 46 | C | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | -179.9 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | F11 V14 M42 V44 L48 E49 I50 L75 | F11-C46 HydrophobicContact CD1-CB 3.66Å; F11-C46 VanDerWaalsContact CD1-SG 3.59Å; F11-C46 HydrophobicContact CE1-CB 3.6Å; F11-C46 WeakPolarHBondContact CE1-O 3.18Å; V14-C46 VanDerWaalsContact CG1-SG 3.53Å; M42-C46 WeakPolarHBondContact O-CB 3.31Å; M42-C46 PolarHBondContact O-N 3.18Å; M42-C46 VanDerWaalsContact O-N 3.17Å; M42-C46 PolarHBondContact O-SG 2.92Å; V44-C46 PolarHBondContact O-N 3.48Å; C46-L48 PolarHBondContact O-N 3.17Å; C46-E49 PolarHBondContact O-N 3.29Å; C46-I50 WeakPolarHBondContact O-CG1 3.29Å; C46-I50 PolarHBondContact O-N 3.06Å; C46-L75 HydrophobicContact CB-CD1 3.32Å; C46-L75 HydrophobicContact CB-CD2 3.61Å; C46-L75 HydrophobicContact CB-CG 4.07Å |
| 47 | W | 96.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 11.9 Ų | 11.9 | 7% | 0.072 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | -179.5 | -162.5 | -59.4 | 0 | 0 | 0 | 112.3 | L43 V44 E49 I50 Q51 L72 L75 L76 S196 F206 L211 L215 | L43-W47 WeakPolarHBondContact O-CB 3.36Å; L43-W47 PolarHBondContact O-N 3.31Å; V44-W47 PolarHBondContact O-N 3.4Å; W47-E49 VanDerWaalsContact C-N 3.26Å; W47-E49 PolarHBondContact O-N 3.11Å; W47-I50 CarbonylContact O-C 3.54Å; W47-I50 WeakPolarHBondContact O-CB 3.39Å; W47-I50 PolarHBondContact O-N 2.88Å; W47-I50 VanDerWaalsContact O-N 3.12Å; W47-Q51 PolarHBondContact O-N 2.94Å; W47-L72 HydrophobicContact CD2-CD1 4.1Å; W47-L72 HydrophobicContact CE3-CD1 3.78Å; W47-L72 HydrophobicContact CH2-CD1 3.74Å; W47-L72 HydrophobicContact CH2-CD2 4.42Å; W47-L72 HydrophobicContact CZ2-CD1 4.04Å; W47-L72 HydrophobicContact CZ2-CD2 4.45Å; W47-L72 HydrophobicContact CZ3-CD1 3.6Å; W47-L75 HydrophobicContact CB-CD2 4.34Å; W47-L75 HydrophobicContact CE3-CD2 4.45Å; W47-L76 HydrophobicContact CZ3-CD2 4.22Å; W47-S196 WeakPolarHBondContact CH2-OG 3.29Å; W47-F206 AromaticContact CE2-CE1 3.9Å; W47-F206 HydrophobicContact CH2-CD1 4.39Å; W47-F206 AromaticContact CZ2-CD1 3.86Å; W47-F206 HydrophobicContact CZ2-CD1 3.86Å; W47-F206 AromaticContact CZ2-CE1 3.82Å; W47-F206 HydrophobicContact CZ2-CE1 3.82Å; W47-F206 AromaticContact NE1-CE1 3.79Å; W47-L211 HydrophobicContact CB-CD1 4.18Å; W47-L211 HydrophobicContact CD2-CD1 4.25Å; W47-L211 HydrophobicContact CD2-CD2 4.22Å; W47-L211 HydrophobicContact CE3-CD1 4.15Å; W47-L211 HydrophobicContact CE3-CD2 3.7Å; W47-L211 HydrophobicContact CE3-CG 4.5Å; W47-L211 HydrophobicContact CG-CD1 4.29Å; W47-L211 HydrophobicContact CH2-CD2 4.14Å; W47-L211 HydrophobicContact CZ3-CD2 3.65Å; W47-L215 HydrophobicContact CB-CD1 4.29Å; W47-L215 HydrophobicContact CB-CD2 4.18Å; W47-L215 HydrophobicContact CD2-CD1 4.06Å; W47-L215 HydrophobicContact CG-CD1 3.65Å; W47-L215 HydrophobicContact CG-CD2 4.24Å |
| 48 | L | 95.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 14 Ų | 14 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.9 | -36.7 | 173.4 | -74.6 | 168.8 | 0 | 0 | 0 | 111.9 | V44 C46 Q51 T52 L122 A125 W129 L215 | V44-L48 HydrophobicContact CG1-CD1 3.83Å; V44-L48 HydrophobicContact CG1-CG 4.35Å; V44-L48 WeakPolarHBondContact O-CG 3.28Å; V44-L48 PolarHBondContact O-N 3.25Å; C46-L48 PolarHBondContact O-N 3.17Å; L48-Q51 PolarHBondContact O-N 3.34Å; L48-T52 PolarHBondContact O-N 2.87Å; L48-T52 PolarHBondContact O-OG1 2.84Å; L48-L122 HydrophobicContact CD1-CB 4.23Å; L48-L122 HydrophobicContact CD1-CD1 3.87Å; L48-A125 HydrophobicContact CB-CB 3.71Å; L48-A125 HydrophobicContact CD1-CB 3.49Å; L48-A125 VanDerWaalsContact CD1-CB 3.49Å; L48-A125 HydrophobicContact CG-CB 4.22Å; L48-W129 HydrophobicContact CB-CH2 4.18Å; L48-W129 HydrophobicContact CB-CZ2 3.83Å; L48-W129 HydrophobicContact CD2-CH2 4.01Å; L48-W129 HydrophobicContact CD2-CZ2 4.48Å; L48-L215 HydrophobicContact CB-CD2 4.48Å; L48-L215 HydrophobicContact CD2-CD2 3.38Å; L48-L215 HydrophobicContact CG-CD2 3.49Å; L48-L215 VanDerWaalsContact CG-CD2 3.49Å |
| 49 | E | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 173.3 | -174.9 | 63.3 | -178.3 | 0 | 0 | 111.7 | S7 Y10 F11 A45 C46 W47 Q51 T52 I53 H137 | S7-E49 WeakPolarHBondContact CA-OE1 3.39Å; S7-E49 VanDerWaalsContact CB-OE1 3.22Å; S7-E49 WeakPolarHBondContact CB-OE1 3.43Å; S7-E49 PolarHBondContact OG-OE1 3.02Å; Y10-E49 HydrophobicContact CD1-CB 3.81Å; Y10-E49 HydrophobicContact CD1-CG 3.94Å; Y10-E49 HydrophobicContact CE1-CB 3.83Å; Y10-E49 HydrophobicContact CE1-CG 4.45Å; F11-E49 HydrophobicContact CE2-CG 4.09Å; F11-E49 HydrophobicContact CZ-CB 4.12Å; F11-E49 HydrophobicContact CZ-CG 4.02Å; A45-E49 PolarHBondContact O-N 2.98Å; C46-E49 PolarHBondContact O-N 3.29Å; W47-E49 VanDerWaalsContact C-N 3.26Å; W47-E49 PolarHBondContact O-N 3.11Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 3.27Å; E49-T52 WeakPolarHBondContact O-CA 3.21Å; E49-T52 VanDerWaalsContact O-CB 3.25Å; E49-T52 WeakPolarHBondContact O-CB 3.33Å; E49-T52 PolarHBondContact O-N 3.29Å; E49-T52 VanDerWaalsContact O-N 3.1Å; E49-I53 PolarHBondContact O-N 3.15Å; E49-I53 VanDerWaalsContact O-N 3.11Å; E49-H137 IonicContact OE1-CD2 2.94Å; E49-H137 IonicContact OE1-CE1 2.66Å; E49-H137 IonicContact OE1-NE2 2.62Å; E49-H137 PolarHBondContact OE1-NE2 3.27Å; E49-H137 IonicContact OE2-CD2 3.87Å; E49-H137 IonicContact OE2-NE2 2.78Å; E49-H137 PolarHBondContact OE2-NE2 2.92Å |
| 50 | I | 94.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.1 | -63.1 | 175.5 | 0 | 0 | 0 | 111.1 | F11 C46 W47 T52 I53 V54 T68 M71 L72 L75 | F11-I50 HydrophobicContact CE1-CD1 4.27Å; F11-I50 HydrophobicContact CE1-CG1 3.95Å; F11-I50 HydrophobicContact CZ-CD1 4.33Å; F11-I50 HydrophobicContact CZ-CG1 3.61Å; C46-I50 WeakPolarHBondContact O-CG1 3.29Å; C46-I50 PolarHBondContact O-N 3.06Å; W47-I50 CarbonylContact O-C 3.54Å; W47-I50 WeakPolarHBondContact O-CB 3.39Å; W47-I50 PolarHBondContact O-N 2.88Å; W47-I50 VanDerWaalsContact O-N 3.12Å; I50-T52 PolarHBondContact O-N 3.43Å; I50-I53 WeakPolarHBondContact O-CB 3.26Å; I50-I53 PolarHBondContact O-N 3.28Å; I50-I53 VanDerWaalsContact O-N 3.09Å; I50-V54 WeakPolarHBondContact O-CG2 3.24Å; I50-V54 PolarHBondContact O-N 3.43Å; I50-T68 HydrophobicContact CG2-CG2 3.78Å; I50-M71 HydrophobicContact CD1-CB 4.32Å; I50-M71 HydrophobicContact CG1-CB 4.28Å; I50-L72 HydrophobicContact CD1-CB 4.13Å; I50-L72 HydrophobicContact CD1-CD1 4.12Å; I50-L75 HydrophobicContact CD1-CB 4.08Å; I50-L75 HydrophobicContact CD1-CD2 3.59Å; I50-L75 HydrophobicContact CD1-CG 4.49Å |
| 51 | Q | 91.8 | Very high | 91 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -33.5 | 174.5 | -80.9 | -178.4 | -21.6 | 0 | 0 | 112.2 | W47 L48 E49 I53 V54 E55 S150 | W47-Q51 PolarHBondContact O-N 2.94Å; L48-Q51 PolarHBondContact O-N 3.34Å; E49-Q51 VanDerWaalsContact C-N 3.32Å; E49-Q51 PolarHBondContact O-N 3.27Å; Q51-I53 VanDerWaalsContact C-N 3.34Å; Q51-V54 PolarHBondContact O-N 3.43Å; Q51-E55 WeakPolarHBondContact O-CB 3.42Å; Q51-E55 WeakPolarHBondContact O-CG 3.44Å; Q51-E55 PolarHBondContact O-N 3Å; Q51-S150 PolarHBondContact NE2-OG 3.48Å |
| 52 | T | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | L48 E49 I50 V56 G57 W129 M136 K140 | L48-T52 PolarHBondContact O-N 2.87Å; L48-T52 PolarHBondContact O-OG1 2.84Å; E49-T52 WeakPolarHBondContact O-CA 3.21Å; E49-T52 VanDerWaalsContact O-CB 3.25Å; E49-T52 WeakPolarHBondContact O-CB 3.33Å; E49-T52 PolarHBondContact O-N 3.29Å; E49-T52 VanDerWaalsContact O-N 3.1Å; I50-T52 PolarHBondContact O-N 3.43Å; T52-V56 PolarHBondContact O-N 2.94Å; T52-G57 PolarHBondContact O-N 3.35Å; T52-W129 PolarHBondContact OG1-NE1 3.29Å; T52-M136 HydrophobicContact CG2-CB 4.37Å; T52-K140 HydrophobicContact CG2-CB 3.77Å; T52-K140 HydrophobicContact CG2-CD 4.13Å; T52-K140 HydrophobicContact CG2-CG 3.86Å; T52-K140 WeakPolarHBondContact OG1-CG 3.45Å |
| 53 | I | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -64.9 | -38.5 | 174.2 | -59.7 | 169.6 | 0 | 0 | 0 | 111.3 | E49 I50 Q51 G57 L63 | E49-I53 PolarHBondContact O-N 3.15Å; E49-I53 VanDerWaalsContact O-N 3.11Å; I50-I53 WeakPolarHBondContact O-CB 3.26Å; I50-I53 PolarHBondContact O-N 3.28Å; I50-I53 VanDerWaalsContact O-N 3.09Å; Q51-I53 VanDerWaalsContact C-N 3.34Å; I53-G57 WeakPolarHBondContact O-CA 3.42Å; I53-G57 PolarHBondContact O-N 3.23Å; I53-L63 HydrophobicContact CG1-CD1 4.29Å; I53-L63 HydrophobicContact CG2-CB 3.92Å; I53-L63 HydrophobicContact CG2-CD1 3.87Å |
| 54 | V | 89.9 | Confident | 89.2 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -63.2 | -51.2 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 112 | I50 Q51 T68 | I50-V54 WeakPolarHBondContact O-CG2 3.24Å; I50-V54 PolarHBondContact O-N 3.43Å; Q51-V54 PolarHBondContact O-N 3.43Å; V54-T68 HydrophobicContact CG2-CG2 3.23Å |
| 55 | E | 88.1 | Confident | 88.7 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 31% | 0.313 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -77.1 | -42.1 | -170.7 | -71.7 | 168.7 | -146.4 | 0 | 0 | 111.8 | Q51 K140 | Q51-E55 WeakPolarHBondContact O-CB 3.42Å; Q51-E55 WeakPolarHBondContact O-CG 3.44Å; Q51-E55 PolarHBondContact O-N 3Å; E55-K140 IonicContact OE1-NZ 3.62Å; E55-K140 PolarHBondContact OE1-NZ 2.92Å; E55-K140 IonicContact OE2-NZ 3.9Å; E55-K140 PolarHBondContact OE2-NZ 2.81Å |
| 56 | V | 87.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -116.8 | -23.1 | -167.7 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | T52 Q58 W59 A60 I139 M143 | T52-V56 PolarHBondContact O-N 2.94Å; V56-Q58 VanDerWaalsContact C-N 3.35Å; V56-Q58 PolarHBondContact O-N 3.34Å; V56-W59 PolarHBondContact O-N 3.43Å; V56-A60 HydrophobicContact CG1-CB 3.6Å; V56-A60 WeakPolarHBondContact O-CB 3.36Å; V56-A60 PolarHBondContact O-N 2.95Å; V56-I139 HydrophobicContact CG1-CB 3.87Å; V56-I139 HydrophobicContact CG1-CD1 3.9Å; V56-I139 HydrophobicContact CG1-CG2 3.69Å; V56-I139 HydrophobicContact CG2-CG2 3.98Å; V56-M143 HydrophobicContact CG2-SD 4.15Å |
| 57 | G | 84.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -61.5 | -35.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T52 I53 G61 G62 L63 | T52-G57 PolarHBondContact O-N 3.35Å; I53-G57 WeakPolarHBondContact O-CA 3.42Å; I53-G57 PolarHBondContact O-N 3.23Å; G57-G61 CarbonylContact O-C 3.57Å; G57-G61 PolarHBondContact O-N 3.46Å; G57-G61 VanDerWaalsContact O-N 3.14Å; G57-G62 PolarHBondContact O-N 2.91Å; G57-L63 PolarHBondContact O-N 3.49Å |
| 58 | Q | 85.6 | Confident | 87.9 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 43% | 0.425 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.3 | -77.2 | -170.1 | -40.2 | 0 | 0 | 112.2 | V56 G62 L63 | V56-Q58 VanDerWaalsContact C-N 3.35Å; V56-Q58 PolarHBondContact O-N 3.34Å; Q58-G62 WeakPolarHBondContact O-CA 3.29Å; Q58-G62 PolarHBondContact O-N 2.9Å; Q58-L63 WeakPolarHBondContact CA-O 3.36Å; Q58-L63 WeakPolarHBondContact CG-O 3.42Å; Q58-L63 PolarHBondContact N-O 3.11Å |
| 59 | W | 81.7 | Confident | 87.9 | Confident | 222 Ų | 222 | 46.2 Ų | 46.2 | 84% | 0.841 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -88.1 | -41.1 | -172.6 | -46.9 | 89.2 | 0 | 0 | 0 | 112.3 | V56 | V56-W59 PolarHBondContact O-N 3.43Å |
| 60 | A | 79.2 | Confident | 87.9 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -91.8 | -10.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V56 D135 M136 I139 | V56-A60 HydrophobicContact CG1-CB 3.6Å; V56-A60 WeakPolarHBondContact O-CB 3.36Å; V56-A60 PolarHBondContact O-N 2.95Å; A60-D135 HydrophobicContact CB-CB 4.48Å; A60-M136 HydrophobicContact CB-CG 3.89Å; A60-I139 HydrophobicContact CB-CD1 3.86Å |
| 61 | G | 74.2 | Confident | 87.9 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -159.8 | 23.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | G57 L63 | G57-G61 CarbonylContact O-C 3.57Å; G57-G61 PolarHBondContact O-N 3.46Å; G57-G61 VanDerWaalsContact O-N 3.14Å; G61-L63 PolarHBondContact O-N 3.4Å |
| 62 | G | 81.3 | Confident | 88.2 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 67% | 0.67 | 29% | 0.287 | S | S | * | . | trans | 64 | 23.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G57 Q58 G64 | G57-G62 PolarHBondContact O-N 2.91Å; Q58-G62 WeakPolarHBondContact O-CA 3.29Å; Q58-G62 PolarHBondContact O-N 2.9Å; G62-G64 PolarHBondContact O-N 3.39Å | ||
| 63 | L | 85.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -88.2 | 108.3 | 179.6 | -59 | -177.9 | 0 | 0 | 0 | 109.8 | L4 I53 G57 Q58 G61 V67 M136 | L4-L63 HydrophobicContact CB-CD1 4.46Å; L4-L63 HydrophobicContact CB-CD2 4.26Å; L4-L63 HydrophobicContact CD1-CD1 4.1Å; L4-L63 HydrophobicContact CD1-CD2 4.22Å; I53-L63 HydrophobicContact CG1-CD1 4.29Å; I53-L63 HydrophobicContact CG2-CB 3.92Å; I53-L63 HydrophobicContact CG2-CD1 3.87Å; G57-L63 PolarHBondContact O-N 3.49Å; Q58-L63 WeakPolarHBondContact CA-O 3.36Å; Q58-L63 WeakPolarHBondContact CG-O 3.42Å; Q58-L63 PolarHBondContact N-O 3.11Å; G61-L63 PolarHBondContact O-N 3.4Å; L63-V67 HydrophobicContact CB-CB 4.45Å; L63-V67 HydrophobicContact CB-CG1 4.48Å; L63-V67 HydrophobicContact CD2-CG1 4.38Å; L63-V67 HydrophobicContact CD2-CG2 4.43Å; L63-M136 HydrophobicContact CD1-CE 3.64Å; L63-M136 HydrophobicContact CD1-SD 4.15Å; L63-M136 HydrophobicContact CG-CE 3.86Å | ||
| 64 | G | 86.9 | Confident | 88.8 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -70.9 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G62 D66 V67 T68 | G62-G64 PolarHBondContact O-N 3.39Å; G64-D66 PolarHBondContact O-N 3.43Å; G64-V67 PolarHBondContact O-N 2.86Å; G64-T68 PolarHBondContact O-N 3.28Å | ||
| 65 | Q | 88.3 | Confident | 89.1 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -32.5 | 177.2 | -68.5 | -171.4 | -19.1 | 0 | 0 | 112.6 | V67 T68 V69 | Q65-V67 VanDerWaalsContact C-N 3.29Å; Q65-V67 PolarHBondContact O-N 2.96Å; Q65-T68 WeakPolarHBondContact O-CB 3.21Å; Q65-T68 PolarHBondContact O-N 3.32Å; Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.02Å |
| 66 | D | 90.9 | Very high | 89.5 | Confident | 133 Ų | 133 | 51.9 Ų | 51.9 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 177.5 | -59.7 | -34.7 | 0 | 0 | 0 | 112.1 | G64 V69 T70 | G64-D66 PolarHBondContact O-N 3.43Å; D66-V69 PolarHBondContact O-N 2.76Å; D66-T70 VanDerWaalsContact O-CB 3.27Å; D66-T70 WeakPolarHBondContact O-CB 3.41Å; D66-T70 PolarHBondContact O-N 3.08Å; D66-T70 PolarHBondContact O-OG1 3.35Å |
| 67 | V | 91.5 | Very high | 90 | Very high | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.2 | -180 | 0 | 0 | 0 | 0 | 110.1 | L4 L63 G64 Q65 V69 T70 M71 | L4-V67 HydrophobicContact CD1-CG1 3.96Å; L63-V67 HydrophobicContact CB-CB 4.45Å; L63-V67 HydrophobicContact CB-CG1 4.48Å; L63-V67 HydrophobicContact CD2-CG1 4.38Å; L63-V67 HydrophobicContact CD2-CG2 4.43Å; G64-V67 PolarHBondContact O-N 2.86Å; Q65-V67 VanDerWaalsContact C-N 3.29Å; Q65-V67 PolarHBondContact O-N 2.96Å; V67-V69 PolarHBondContact O-N 3.49Å; V67-T70 PolarHBondContact O-N 3.17Å; V67-M71 HydrophobicContact CG1-CE 4.49Å; V67-M71 HydrophobicContact CG1-CG 4.2Å; V67-M71 WeakPolarHBondContact O-CB 3.13Å; V67-M71 VanDerWaalsContact O-CG 3.23Å; V67-M71 WeakPolarHBondContact O-CG 3.31Å; V67-M71 PolarHBondContact O-N 3.18Å |
| 68 | T | 91.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -50.8 | 178 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | I50 V54 G64 Q65 T70 M71 L72 | I50-T68 HydrophobicContact CG2-CG2 3.78Å; V54-T68 HydrophobicContact CG2-CG2 3.23Å; G64-T68 PolarHBondContact O-N 3.28Å; Q65-T68 WeakPolarHBondContact O-CB 3.21Å; Q65-T68 PolarHBondContact O-N 3.32Å; T68-T70 VanDerWaalsContact C-N 3.3Å; T68-T70 PolarHBondContact O-N 2.84Å; T68-M71 PolarHBondContact O-N 3.28Å; T68-L72 WeakPolarHBondContact O-CB 3.38Å; T68-L72 PolarHBondContact O-N 3.07Å |
| 69 | V | 94.5 | Very high | 91 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | -177.3 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | Q65 D66 V67 L72 F73 T193 | Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.02Å; D66-V69 PolarHBondContact O-N 2.76Å; V67-V69 PolarHBondContact O-N 3.49Å; V69-L72 PolarHBondContact O-N 3.11Å; V69-F73 WeakPolarHBondContact O-CB 3.46Å; V69-F73 PolarHBondContact O-N 3.04Å; V69-T193 HydrophobicContact CG1-CG2 3.81Å |
| 70 | T | 95.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | D66 V67 T68 L72 F73 V74 | D66-T70 VanDerWaalsContact O-CB 3.27Å; D66-T70 WeakPolarHBondContact O-CB 3.41Å; D66-T70 PolarHBondContact O-N 3.08Å; D66-T70 PolarHBondContact O-OG1 3.35Å; V67-T70 PolarHBondContact O-N 3.17Å; T68-T70 VanDerWaalsContact C-N 3.3Å; T68-T70 PolarHBondContact O-N 2.84Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-L72 PolarHBondContact O-N 3.19Å; T70-F73 PolarHBondContact O-N 3.11Å; T70-V74 HydrophobicContact CG2-CG2 4.41Å; T70-V74 WeakPolarHBondContact O-CB 3.39Å; T70-V74 VanDerWaalsContact O-CG2 3.29Å; T70-V74 WeakPolarHBondContact O-CG2 3.3Å; T70-V74 PolarHBondContact O-N 3.41Å |
| 71 | M | 95 | Very high | 92.3 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.6 | -73.7 | -63.2 | -174 | 0 | 0 | 112.2 | L4 L8 F11 I50 V67 T68 V74 L75 | L4-M71 HydrophobicContact CD1-CE 3.37Å; L4-M71 HydrophobicContact CG-CE 4.32Å; L8-M71 HydrophobicContact CD2-CE 3.72Å; L8-M71 HydrophobicContact CD2-SD 4.28Å; L8-M71 HydrophobicContact CG-CE 4.09Å; F11-M71 HydrophobicContact CE2-SD 4.34Å; I50-M71 HydrophobicContact CD1-CB 4.32Å; I50-M71 HydrophobicContact CG1-CB 4.28Å; V67-M71 HydrophobicContact CG1-CE 4.49Å; V67-M71 HydrophobicContact CG1-CG 4.2Å; V67-M71 WeakPolarHBondContact O-CB 3.13Å; V67-M71 VanDerWaalsContact O-CG 3.23Å; V67-M71 WeakPolarHBondContact O-CG 3.31Å; V67-M71 PolarHBondContact O-N 3.18Å; T68-M71 PolarHBondContact O-N 3.28Å; M71-V74 PolarHBondContact O-N 3.42Å; M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 2.9Å |
| 72 | L | 96.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 175.8 | -178.9 | 59.5 | 0 | 0 | 0 | 111.6 | W47 I50 T68 V69 T70 L75 L76 T193 | W47-L72 HydrophobicContact CD2-CD1 4.1Å; W47-L72 HydrophobicContact CE3-CD1 3.78Å; W47-L72 HydrophobicContact CH2-CD1 3.74Å; W47-L72 HydrophobicContact CH2-CD2 4.42Å; W47-L72 HydrophobicContact CZ2-CD1 4.04Å; W47-L72 HydrophobicContact CZ2-CD2 4.45Å; W47-L72 HydrophobicContact CZ3-CD1 3.6Å; I50-L72 HydrophobicContact CD1-CB 4.13Å; I50-L72 HydrophobicContact CD1-CD1 4.12Å; T68-L72 WeakPolarHBondContact O-CB 3.38Å; T68-L72 PolarHBondContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 3.11Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-L72 PolarHBondContact O-N 3.19Å; L72-L75 PolarHBondContact O-N 3.49Å; L72-L76 HydrophobicContact CD1-CD1 3.95Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.26Å; L72-T193 HydrophobicContact CB-CG2 4.46Å; L72-T193 HydrophobicContact CD2-CG2 4.28Å; L72-T193 HydrophobicContact CG-CG2 4.34Å |
| 73 | F | 97.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 44 Ų | 44 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 174.6 | 173.6 | -109.8 | 0 | 0 | 0 | 111.8 | V69 T70 L75 L76 L77 A189 V190 T193 | V69-F73 WeakPolarHBondContact O-CB 3.46Å; V69-F73 PolarHBondContact O-N 3.04Å; T70-F73 PolarHBondContact O-N 3.11Å; F73-L75 PolarHBondContact O-N 3.45Å; F73-L76 PolarHBondContact O-N 3.12Å; F73-L77 HydrophobicContact CE1-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CD2 4.12Å; F73-L77 WeakPolarHBondContact O-CB 3.15Å; F73-L77 PolarHBondContact O-N 3.24Å; F73-A189 HydrophobicContact CD2-CB 4.05Å; F73-A189 HydrophobicContact CE2-CB 3.86Å; F73-V190 HydrophobicContact CD2-CG2 4.18Å; F73-V190 HydrophobicContact CE2-CG2 3.58Å; F73-V190 HydrophobicContact CZ-CG2 4.36Å; F73-T193 WeakPolarHBondContact CA-OG1 3.49Å; F73-T193 HydrophobicContact CB-CG2 4.13Å |
| 74 | V | 97.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | T70 M71 T78 | T70-V74 HydrophobicContact CG2-CG2 4.41Å; T70-V74 WeakPolarHBondContact O-CB 3.39Å; T70-V74 VanDerWaalsContact O-CG2 3.29Å; T70-V74 WeakPolarHBondContact O-CG2 3.3Å; T70-V74 PolarHBondContact O-N 3.41Å; M71-V74 PolarHBondContact O-N 3.42Å; V74-T78 WeakPolarHBondContact O-CB 3.45Å; V74-T78 PolarHBondContact O-N 3.34Å; V74-T78 PolarHBondContact O-OG1 3.43Å |
| 75 | L | 96.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -52.9 | 175.2 | 169.1 | 58.4 | 0 | 0 | 0 | 111.1 | M42 C46 W47 I50 M71 L72 F73 L77 T78 H79 | M42-L75 HydrophobicContact CE-CD1 4.12Å; C46-L75 HydrophobicContact CB-CD1 3.32Å; C46-L75 HydrophobicContact CB-CD2 3.61Å; C46-L75 HydrophobicContact CB-CG 4.07Å; W47-L75 HydrophobicContact CB-CD2 4.34Å; W47-L75 HydrophobicContact CE3-CD2 4.45Å; I50-L75 HydrophobicContact CD1-CB 4.08Å; I50-L75 HydrophobicContact CD1-CD2 3.59Å; I50-L75 HydrophobicContact CD1-CG 4.49Å; M71-L75 WeakPolarHBondContact O-CB 3.48Å; M71-L75 PolarHBondContact O-N 2.9Å; L72-L75 PolarHBondContact O-N 3.49Å; F73-L75 PolarHBondContact O-N 3.45Å; L75-L77 VanDerWaalsContact C-N 3.35Å; L75-L77 PolarHBondContact O-N 2.9Å; L75-T78 PolarHBondContact O-N 2.93Å; L75-H79 VanDerWaalsContact O-CB 3.26Å; L75-H79 WeakPolarHBondContact O-CB 3.45Å; L75-H79 PolarHBondContact O-N 3Å |
| 76 | L | 97.3 | Very high | 93 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -39.4 | -177.3 | -71.3 | 169.2 | 0 | 0 | 0 | 112 | L43 W47 L72 F73 G80 A189 L192 T193 | L43-L76 HydrophobicContact CD2-CD2 4.34Å; W47-L76 HydrophobicContact CZ3-CD2 4.22Å; L72-L76 HydrophobicContact CD1-CD1 3.95Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.4Å; L72-L76 PolarHBondContact O-N 3.26Å; F73-L76 PolarHBondContact O-N 3.12Å; L76-G80 PolarHBondContact O-N 3.33Å; L76-A189 HydrophobicContact CB-CB 3.98Å; L76-L192 HydrophobicContact CD1-CB 3.64Å; L76-L192 HydrophobicContact CD2-CB 4.45Å; L76-L192 HydrophobicContact CD2-CD1 4.02Å; L76-T193 WeakPolarHBondContact CD1-OG1 2.91Å |
| 77 | L | 97.3 | Very high | 93 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 174.3 | -176.6 | 68.3 | 0 | 0 | 0 | 110.9 | F73 L75 H79 G80 V81 V185 P186 A189 | F73-L77 HydrophobicContact CE1-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CD2 4.12Å; F73-L77 WeakPolarHBondContact O-CB 3.15Å; F73-L77 PolarHBondContact O-N 3.24Å; L75-L77 VanDerWaalsContact C-N 3.35Å; L75-L77 PolarHBondContact O-N 2.9Å; L77-H79 PolarHBondContact O-N 3.35Å; L77-G80 PolarHBondContact O-N 3.16Å; L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.43Å; L77-V185 HydrophobicContact CD1-CG1 3.98Å; L77-P186 HydrophobicContact CD1-CB 4.24Å; L77-P186 HydrophobicContact CD1-CG 4.06Å; L77-A189 HydrophobicContact CB-CB 4.14Å; L77-A189 HydrophobicContact CD1-CB 4.45Å |
| 78 | T | 95.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 179.6 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | V15 M42 V74 L75 G80 V81 L82 | V15-T78 HydrophobicContact CG2-CG2 4.09Å; M42-T78 HydrophobicContact CE-CG2 3.91Å; V74-T78 WeakPolarHBondContact O-CB 3.45Å; V74-T78 PolarHBondContact O-N 3.34Å; V74-T78 PolarHBondContact O-OG1 3.43Å; L75-T78 PolarHBondContact O-N 2.93Å; T78-G80 VanDerWaalsContact C-N 3.34Å; T78-G80 PolarHBondContact O-N 3.05Å; T78-V81 PolarHBondContact O-N 2.82Å; T78-L82 HydrophobicContact CG2-CD1 3.52Å; T78-L82 HydrophobicContact CG2-CG 4.08Å; T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 VanDerWaalsContact O-CG 3.28Å; T78-L82 WeakPolarHBondContact O-CG 3.32Å; T78-L82 PolarHBondContact O-N 3.25Å |
| 79 | H | 96 | Very high | 93.4 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 174.6 | 178.2 | -90.1 | 0 | 0 | 0 | 111.4 | A39 M42 L43 L75 L77 V81 C83 S87 | A39-H79 PolarHBondContact O-NE2 2.88Å; M42-H79 HydrophobicContact CE-CB 4.03Å; L43-H79 HydrophobicContact CD2-CB 3.96Å; L43-H79 VanDerWaalsContact CG-CD2 3.45Å; L43-H79 WeakPolarHBondContact CG-CD2 3.29Å; L75-H79 VanDerWaalsContact O-CB 3.26Å; L75-H79 WeakPolarHBondContact O-CB 3.45Å; L75-H79 PolarHBondContact O-N 3Å; L77-H79 PolarHBondContact O-N 3.35Å; H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.46Å; H79-C83 PolarHBondContact CD2-SG 3.28Å; H79-C83 WeakPolarHBondContact O-CA 3.32Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.17Å; H79-S87 PolarHBondContact CE1-O 2.93Å; H79-S87 VanDerWaalsContact CE1-O 3.28Å |
| 80 | G | 93.9 | Very high | 93.6 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -31.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L76 L77 T78 | L76-G80 PolarHBondContact O-N 3.33Å; L77-G80 PolarHBondContact O-N 3.16Å; T78-G80 VanDerWaalsContact C-N 3.34Å; T78-G80 PolarHBondContact O-N 3.05Å |
| 81 | V | 94.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 56% | 0.558 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -77.7 | -47.9 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L77 T78 H79 V185 | L77-V81 WeakPolarHBondContact O-CG2 3.46Å; L77-V81 PolarHBondContact O-N 3.43Å; T78-V81 PolarHBondContact O-N 2.82Å; H79-V81 VanDerWaalsContact C-N 3.32Å; H79-V81 PolarHBondContact O-N 3.46Å; V81-V185 HydrophobicContact CG2-CG1 3.88Å |
| 82 | L | 91.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -75.9 | -45.1 | -174.6 | -62.6 | 179.3 | 0 | 0 | 0 | 111.9 | V15 V19 Q22 M42 T78 A84 | V15-L82 HydrophobicContact CG1-CD1 3.56Å; V15-L82 HydrophobicContact CG2-CD1 4.48Å; V19-L82 HydrophobicContact CG2-CD1 3.78Å; V19-L82 HydrophobicContact CG2-CD2 3.93Å; V19-L82 HydrophobicContact CG2-CG 4.3Å; Q22-L82 PolarHBondContact OE1-O 3.21Å; M42-L82 HydrophobicContact CE-CD1 4.42Å; T78-L82 HydrophobicContact CG2-CD1 3.52Å; T78-L82 HydrophobicContact CG2-CG 4.08Å; T78-L82 WeakPolarHBondContact O-CB 3.48Å; T78-L82 VanDerWaalsContact O-CG 3.28Å; T78-L82 WeakPolarHBondContact O-CG 3.32Å; T78-L82 PolarHBondContact O-N 3.25Å; L82-A84 PolarHBondContact O-N 3.06Å |
| 83 | C | 86.9 | Confident | 93.7 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 42.8 | -175.8 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | Q22 A39 H79 G85 T86 | Q22-C83 PolarHBondContact NE2-SG 3.36Å; A39-C83 HydrophobicContact CB-CB 4.09Å; H79-C83 PolarHBondContact CD2-SG 3.28Å; H79-C83 WeakPolarHBondContact O-CA 3.32Å; H79-C83 WeakPolarHBondContact O-CB 3.38Å; H79-C83 PolarHBondContact O-N 3.17Å; C83-G85 PolarHBondContact O-N 3.18Å; C83-T86 PolarHBondContact O-N 3.1Å; C83-T86 VanDerWaalsContact O-N 3.12Å; C83-T86 PolarHBondContact O-OG1 2.9Å |
| 84 | A | 81.5 | Confident | 93.6 | Very high | 85 Ų | 85 | 30.8 Ų | 30.8 | 70% | 0.702 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 106.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L82 | L82-A84 PolarHBondContact O-N 3.06Š|
| 85 | G | 81.9 | Confident | 93.6 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 61% | 0.608 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -19.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C83 K96 | C83-G85 PolarHBondContact O-N 3.18Å; G85-K96 PolarHBondContact O-NZ 3.05Å |
| 86 | T | 90.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | trans | -113.3 | 148.7 | 174.2 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | E36 C83 | E36-T86 HydrophobicContact CG-CG2 3.87Å; E36-T86 VanDerWaalsContact OE1-CA 3.23Å; E36-T86 WeakPolarHBondContact OE1-CA 3.38Å; E36-T86 WeakPolarHBondContact OE1-CB 3.34Å; C83-T86 PolarHBondContact O-N 3.1Å; C83-T86 VanDerWaalsContact O-N 3.12Å; C83-T86 PolarHBondContact O-OG1 2.9Å | ||
| 87 | S | 90.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | trans | -108.9 | -25.3 | -175.4 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | E36 H79 N89 | E36-S87 PolarHBondContact OE1-N 2.85Å; E36-S87 PolarHBondContact OE2-N 3.34Å; E36-S87 VanDerWaalsContact OE2-N 3.11Å; H79-S87 PolarHBondContact CE1-O 2.93Å; H79-S87 VanDerWaalsContact CE1-O 3.28Å; S87-N89 PolarHBondContact O-N 2.89Å; S87-N89 PolarHBondContact OG-N 2.8Å; S87-N89 VanDerWaalsContact OG-N 3.08Å; S87-N89 PolarHBondContact OG-O 3.47Å; S87-N89 VanDerWaalsContact OG-O 3.11Å | ||
| 88 | G | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 59.9 | 18.7 | -164 | 0 | 0 | 0 | 0 | 0 | 112.5 | E36 N208 S210 | E36-G88 PolarHBondContact OE2-N 2.9Å; G88-N208 PolarHBondContact O-ND2 3.44Å; G88-N208 PolarHBondContact O-OD1 3.22Å; G88-S210 PolarHBondContact O-OG 3.12Å |
| 89 | N | 97.1 | Very high | 93 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | trans | -129.3 | 113 | -175 | -175.1 | -19.6 | 0 | 0 | 0 | 111 | S87 S91 L92 V93 Q114 M207 N208 | S87-N89 PolarHBondContact O-N 2.89Å; S87-N89 PolarHBondContact OG-N 2.8Å; S87-N89 VanDerWaalsContact OG-N 3.08Å; S87-N89 PolarHBondContact OG-O 3.47Å; S87-N89 VanDerWaalsContact OG-O 3.11Å; N89-S91 VanDerWaalsContact C-N 3.29Å; N89-S91 PolarHBondContact O-N 2.96Å; N89-S91 WeakPolarHBondContact OD1-CB 3.31Å; N89-S91 PolarHBondContact OD1-N 3.35Å; N89-L92 HydrophobicContact CB-CB 4.38Å; N89-L92 HydrophobicContact CB-CD1 4.11Å; N89-L92 HydrophobicContact CB-CG 4.2Å; N89-L92 PolarHBondContact O-N 3.34Å; N89-L92 VanDerWaalsContact O-N 3.07Å; N89-V93 PolarHBondContact O-N 3.39Å; N89-Q114 VanDerWaalsContact N-NE2 3.13Å; N89-Q114 PolarHBondContact O-NE2 3.24Å; N89-M207 PolarHBondContact ND2-O 3.34Å; N89-N208 HydrophobicContact CB-CB 4.3Å; N89-N208 WeakPolarHBondContact CB-ND2 3.24Å | ||
| 90 | P | 97.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.1 | -39.1 | 178.5 | -30.1 | 36.1 | 0 | 0 | 0 | 114.1 | L92 V93 V94 V111 Q114 F115 N208 P209 S210 | P90-L92 PolarHBondContact O-N 3.47Å; P90-V93 PolarHBondContact O-N 3.43Å; P90-V94 WeakPolarHBondContact O-CG2 3.26Å; P90-V94 PolarHBondContact O-N 3.44Å; P90-V111 HydrophobicContact CB-CG1 4.38Å; P90-V111 HydrophobicContact CB-CG2 4.35Å; P90-Q114 VanDerWaalsContact CD-OE1 3.25Å; P90-Q114 HydrophobicContact CG-CB 4.35Å; P90-Q114 VanDerWaalsContact CG-OE1 3.25Å; P90-F115 HydrophobicContact CG-CE2 4.02Å; P90-F115 HydrophobicContact CG-CZ 4.35Å; P90-N208 VanDerWaalsContact CD-OD1 3.28Å; P90-N208 WeakPolarHBondContact CD-OD1 3.08Å; P90-P209 HydrophobicContact CB-CB 4.2Å; P90-P209 HydrophobicContact CB-CG 4.21Å; P90-P209 HydrophobicContact CG-CB 4.08Å; P90-S210 WeakPolarHBondContact CD-OG 3.36Å |
| 91 | S | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -34.3 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | N89 Q95 P209 S235 | N89-S91 VanDerWaalsContact C-N 3.29Å; N89-S91 PolarHBondContact O-N 2.96Å; N89-S91 WeakPolarHBondContact OD1-CB 3.31Å; N89-S91 PolarHBondContact OD1-N 3.35Å; S91-Q95 WeakPolarHBondContact O-CB 3.48Å; S91-Q95 PolarHBondContact O-N 2.85Å; S91-P209 VanDerWaalsContact OG-CD 3.26Å; S91-P209 WeakPolarHBondContact OG-CD 3.45Å; S91-P209 WeakPolarHBondContact OG-CG 3.33Å; S91-S235 PolarHBondContact OG-OG 3.47Å |
| 92 | L | 96.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.6 | -32.4 | 177.7 | -67.1 | 179.1 | 0 | 0 | 0 | 114.3 | N89 P90 Q95 K96 F169 H170 | N89-L92 HydrophobicContact CB-CB 4.38Å; N89-L92 HydrophobicContact CB-CD1 4.11Å; N89-L92 HydrophobicContact CB-CG 4.2Å; N89-L92 PolarHBondContact O-N 3.34Å; N89-L92 VanDerWaalsContact O-N 3.07Å; P90-L92 PolarHBondContact O-N 3.47Å; L92-Q95 WeakPolarHBondContact O-CB 3.4Å; L92-Q95 PolarHBondContact O-N 3.39Å; L92-K96 PolarHBondContact O-N 2.83Å; L92-F169 HydrophobicContact CD1-CE1 4.29Å; L92-F169 HydrophobicContact CD1-CZ 4.15Å; L92-F169 HydrophobicContact CD2-CE1 4.21Å; L92-F169 HydrophobicContact CG-CE1 4.43Å; L92-H170 WeakPolarHBondContact CD2-CE1 3.49Å; L92-H170 WeakPolarHBondContact CD2-ND1 3.22Å |
| 93 | V | 95.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.3 | -44.1 | 174.3 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | N89 P90 Q95 K96 F97 T107 A110 V111 | N89-V93 PolarHBondContact O-N 3.39Å; P90-V93 PolarHBondContact O-N 3.43Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.87Å; V93-K96 PolarHBondContact O-N 3.2Å; V93-F97 PolarHBondContact O-N 3.44Å; V93-T107 HydrophobicContact CG1-CG2 3.89Å; V93-A110 HydrophobicContact CG1-CB 3.74Å; V93-A110 HydrophobicContact CG2-CB 4.24Å; V93-V111 HydrophobicContact CB-CG2 4.44Å; V93-V111 HydrophobicContact CG1-CG2 4.47Å |
| 94 | V | 96.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 174 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | P90 K96 F97 L98 L236 M239 | P90-V94 WeakPolarHBondContact O-CG2 3.26Å; P90-V94 PolarHBondContact O-N 3.44Å; V94-K96 PolarHBondContact O-N 3.07Å; V94-F97 WeakPolarHBondContact O-CB 3.22Å; V94-F97 PolarHBondContact O-N 3.38Å; V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.21Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 2.85Å; V94-L236 HydrophobicContact CB-CD2 4.32Å; V94-L236 HydrophobicContact CG1-CD2 4.17Å; V94-L236 HydrophobicContact CG2-CD2 4.44Å; V94-M239 HydrophobicContact CG1-CE 4.34Å; V94-M239 HydrophobicContact CG1-SD 4.36Å |
| 95 | Q | 95.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.9 | -49.8 | 175 | -162.7 | -167.3 | -66.9 | 0 | 0 | 111.9 | S91 L92 V93 F97 L98 Q99 H170 M239 L243 | S91-Q95 WeakPolarHBondContact O-CB 3.48Å; S91-Q95 PolarHBondContact O-N 2.85Å; L92-Q95 WeakPolarHBondContact O-CB 3.4Å; L92-Q95 PolarHBondContact O-N 3.39Å; V93-Q95 VanDerWaalsContact C-N 3.29Å; V93-Q95 PolarHBondContact O-N 2.87Å; Q95-F97 VanDerWaalsContact C-N 3.3Å; Q95-F97 PolarHBondContact O-N 3.04Å; Q95-L98 PolarHBondContact O-N 2.85Å; Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.21Å; Q95-Q99 PolarHBondContact O-N 2.97Å; Q95-H170 PolarHBondContact OE1-ND1 2.98Å; Q95-M239 HydrophobicContact CB-CG 4.03Å; Q95-M239 HydrophobicContact CB-SD 3.6Å; Q95-M239 VanDerWaalsContact CB-SD 3.6Å; Q95-M239 HydrophobicContact CG-CG 3.98Å; Q95-M239 HydrophobicContact CG-SD 4.04Å; Q95-L243 HydrophobicContact CG-CD1 3.79Å; Q95-L243 HydrophobicContact CG-CD2 3.76Å; Q95-L243 HydrophobicContact CG-CG 3.95Å |
| 96 | K | 94.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 34% | 0.335 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.9 | -70.8 | 176.7 | -178.6 | 174.2 | 0 | 111.5 | G85 L92 V93 V94 Q99 L100 E101 A102 | G85-K96 PolarHBondContact O-NZ 3.05Å; L92-K96 PolarHBondContact O-N 2.83Å; V93-K96 PolarHBondContact O-N 3.2Å; V94-K96 PolarHBondContact O-N 3.07Å; K96-Q99 PolarHBondContact O-N 3.24Å; K96-L100 PolarHBondContact O-N 3.42Å; K96-E101 HydrophobicContact CB-CB 4.2Å; K96-E101 WeakPolarHBondContact O-CB 3.45Å; K96-E101 PolarHBondContact O-N 3.43Å; K96-A102 HydrophobicContact CB-CB 4.31Å |
| 97 | F | 95.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.8 | 174 | -103.5 | 0 | 0 | 0 | 112.2 | V93 V94 Q95 Q99 L100 T104 T107 R252 | V93-F97 PolarHBondContact O-N 3.44Å; V94-F97 WeakPolarHBondContact O-CB 3.22Å; V94-F97 PolarHBondContact O-N 3.38Å; Q95-F97 VanDerWaalsContact C-N 3.3Å; Q95-F97 PolarHBondContact O-N 3.04Å; F97-Q99 PolarHBondContact O-N 3.45Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-L100 VanDerWaalsContact O-N 3.08Å; F97-T104 HydrophobicContact CE2-CG2 4.48Å; F97-T107 HydrophobicContact CB-CG2 3.85Å; F97-T107 HydrophobicContact CD2-CG2 4.41Å; F97-T107 HydrophobicContact CG-CG2 4.14Å; F97-R252 VanDerWaalsContact CE2-CZ 3.49Å; F97-R252 VanDerWaalsContact O-CG 3.26Å; F97-R252 WeakPolarHBondContact O-CG 3.41Å |
| 98 | L | 93.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -27.9 | 178.7 | -69.7 | 170.7 | 0 | 0 | 0 | 113.4 | V94 Q95 L100 M239 M240 L243 I250 R252 L253 | V94-L98 HydrophobicContact CG1-CD1 3.9Å; V94-L98 HydrophobicContact CG1-CG 4.21Å; V94-L98 VanDerWaalsContact O-CG 3.3Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 2.85Å; Q95-L98 PolarHBondContact O-N 2.85Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L98-M239 HydrophobicContact CD1-CE 3.42Å; L98-M239 VanDerWaalsContact CD1-CE 3.42Å; L98-M239 HydrophobicContact CD1-SD 4.24Å; L98-M240 HydrophobicContact CD1-SD 3.31Å; L98-M240 WeakPolarHBondContact CD1-SD 3.39Å; L98-L243 HydrophobicContact CB-CD1 4.17Å; L98-L243 HydrophobicContact CD1-CD1 4.06Å; L98-I250 HydrophobicContact CB-CG2 4.04Å; L98-I250 HydrophobicContact CD2-CG2 4.16Å; L98-R252 HydrophobicContact CD2-CB 4.37Å; L98-R252 WeakPolarHBondContact O-CB 3.44Å; L98-R252 WeakPolarHBondContact O-CG 3.33Å; L98-R252 PolarHBondContact O-N 3.18Å; L98-R252 VanDerWaalsContact O-N 3.12Å; L98-L253 HydrophobicContact CD2-CD1 4.36Å; L98-L253 HydrophobicContact CD2-CG 4.42Å |
| 99 | Q | 92.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.9 | 175.8 | -66.8 | -178.9 | -66.7 | 0 | 0 | 113.7 | Q95 K96 F97 E101 R177 L243 M247 | Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.21Å; Q95-Q99 PolarHBondContact O-N 2.97Å; K96-Q99 PolarHBondContact O-N 3.24Å; F97-Q99 PolarHBondContact O-N 3.45Å; Q99-E101 HydrophobicContact CB-CG 4.09Å; Q99-E101 PolarHBondContact O-N 3.03Å; Q99-R177 VanDerWaalsContact CD-NH2 3.34Å; Q99-R177 VanDerWaalsContact NE2-NH2 3.18Å; Q99-L243 HydrophobicContact CG-CD2 3.82Å; Q99-M247 HydrophobicContact CG-SD 4.12Å; Q99-M247 PolarHBondContact NE2-SD 3.37Å; Q99-M247 VanDerWaalsContact NE2-SD 3.39Å |
| 100 | L | 91.3 | Very high | 94.4 | Very high | 106 Ų | 106 | 44.1 Ų | 44.1 | 56% | 0.555 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 17.7 | -176 | -59.9 | 163.7 | 0 | 0 | 0 | 114.3 | K96 F97 L98 P251 R252 | K96-L100 PolarHBondContact O-N 3.42Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-L100 VanDerWaalsContact O-N 3.08Å; L98-L100 VanDerWaalsContact C-N 3.29Å; L100-P251 HydrophobicContact CD1-CB 3.74Å; L100-P251 HydrophobicContact CG-CB 4.09Å; L100-R252 HydrophobicContact CD2-CG 3.68Å; L100-R252 VanDerWaalsContact CD2-NE 3.3Å; L100-R252 HydrophobicContact CG-CG 4.07Å |
| 101 | E | 90.5 | Very high | 94.4 | Very high | 108 Ų | 108 | 45.5 Ų | 45.5 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -86.3 | -13.3 | 178.7 | -61.9 | 176.3 | -163.8 | 0 | 0 | 112.7 | K96 Q99 R177 | K96-E101 HydrophobicContact CB-CB 4.2Å; K96-E101 WeakPolarHBondContact O-CB 3.45Å; K96-E101 PolarHBondContact O-N 3.43Å; Q99-E101 HydrophobicContact CB-CG 4.09Å; Q99-E101 PolarHBondContact O-N 3.03Å; E101-R177 IonicContact OE1-CZ 3.82Å; E101-R177 IonicContact OE1-NH1 3.6Å; E101-R177 PolarHBondContact OE1-NH1 3.47Å; E101-R177 IonicContact OE1-NH2 3.41Å |
| 102 | A | 90 | Very high | 94.4 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -138.6 | 148.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K96 | K96-A102 HydrophobicContact CB-CB 4.31Š|
| 103 | G | 92.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -79.6 | 164.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T107 | G103-T107 WeakPolarHBondContact O-CB 3.37Å; G103-T107 PolarHBondContact O-N 3.3Å; G103-T107 PolarHBondContact O-OG1 3.18Å | ||
| 104 | T | 93.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 55% | 0.546 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | -177.9 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | F97 T107 A108 | F97-T104 HydrophobicContact CE2-CG2 4.48Å; T104-T107 WeakPolarHBondContact O-CB 3.45Å; T104-T107 PolarHBondContact O-N 3.21Å; T104-A108 PolarHBondContact O-N 3.34Å |
| 105 | L | 93.9 | Very high | 94.6 | Very high | 122 Ų | 122 | 49.1 Ų | 49.1 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -49.5 | -177.5 | 175.6 | 66.4 | 0 | 0 | 0 | 112.5 | T107 A108 L109 | L105-T107 VanDerWaalsContact C-N 3.26Å; L105-T107 PolarHBondContact O-N 2.74Å; L105-A108 PolarHBondContact O-N 3.2Å; L105-L109 HydrophobicContact CD1-CD1 4.08Å; L105-L109 HydrophobicContact CD1-CG 4.11Å; L105-L109 HydrophobicContact CG-CD1 4.09Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.41Å |
| 106 | P | 92.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 174.2 | -26.4 | 34.8 | 0 | 0 | 0 | 113.6 | A110 | P106-A110 VanDerWaalsContact O-CB 3.27Å; P106-A110 WeakPolarHBondContact O-CB 3.46Å; P106-A110 PolarHBondContact O-N 3.16Å |
| 107 | T | 94.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | V93 F97 G103 T104 L105 A110 V111 | V93-T107 HydrophobicContact CG1-CG2 3.89Å; F97-T107 HydrophobicContact CB-CG2 3.85Å; F97-T107 HydrophobicContact CD2-CG2 4.41Å; F97-T107 HydrophobicContact CG-CG2 4.14Å; G103-T107 WeakPolarHBondContact O-CB 3.37Å; G103-T107 PolarHBondContact O-N 3.3Å; G103-T107 PolarHBondContact O-OG1 3.18Å; T104-T107 WeakPolarHBondContact O-CB 3.45Å; T104-T107 PolarHBondContact O-N 3.21Å; L105-T107 VanDerWaalsContact C-N 3.26Å; L105-T107 PolarHBondContact O-N 2.74Å; T107-A110 PolarHBondContact O-N 3.41Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 2.88Å |
| 108 | A | 96.3 | Very high | 95 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T104 L105 V111 T112 | T104-A108 PolarHBondContact O-N 3.34Å; L105-A108 PolarHBondContact O-N 3.2Å; A108-V111 PolarHBondContact O-N 2.62Å; A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.09Å; A108-T112 PolarHBondContact O-OG1 3.47Å |
| 109 | L | 95.9 | Very high | 95.2 | Very high | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.4 | -69.2 | 175.3 | 0 | 0 | 0 | 111.9 | F33 L105 T112 A113 | F33-L109 HydrophobicContact CB-CB 3.94Å; F33-L109 HydrophobicContact CD1-CB 4.33Å; F33-L109 HydrophobicContact CD1-CD1 4.26Å; F33-L109 HydrophobicContact CG-CB 4.09Å; L105-L109 HydrophobicContact CD1-CD1 4.08Å; L105-L109 HydrophobicContact CD1-CG 4.11Å; L105-L109 HydrophobicContact CG-CD1 4.09Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.41Å; L109-T112 WeakPolarHBondContact CA-OG1 3.41Å; L109-T112 PolarHBondContact O-OG1 2.84Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.87Å |
| 110 | A | 96.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E36 V93 P106 T107 A113 Q114 | E36-A110 HydrophobicContact CB-CB 4.42Å; E36-A110 HydrophobicContact CG-CB 4.01Å; V93-A110 HydrophobicContact CG1-CB 3.74Å; V93-A110 HydrophobicContact CG2-CB 4.24Å; P106-A110 VanDerWaalsContact O-CB 3.27Å; P106-A110 WeakPolarHBondContact O-CB 3.46Å; P106-A110 PolarHBondContact O-N 3.16Å; T107-A110 PolarHBondContact O-N 3.41Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.48Å; A110-Q114 WeakPolarHBondContact O-CG 3.39Å; A110-Q114 PolarHBondContact O-N 3.46Å |
| 111 | V | 97.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | P90 V93 T107 A108 A113 Q114 F115 | P90-V111 HydrophobicContact CB-CG1 4.38Å; P90-V111 HydrophobicContact CB-CG2 4.35Å; V93-V111 HydrophobicContact CB-CG2 4.44Å; V93-V111 HydrophobicContact CG1-CG2 4.47Å; T107-V111 WeakPolarHBondContact O-CG2 3.42Å; T107-V111 PolarHBondContact O-N 2.88Å; A108-V111 PolarHBondContact O-N 2.62Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.22Å; V111-Q114 PolarHBondContact O-N 3.24Å; V111-F115 HydrophobicContact CG1-CD2 3.96Å; V111-F115 HydrophobicContact CG1-CE2 3.86Å; V111-F115 WeakPolarHBondContact O-CD2 3.36Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F115 VanDerWaalsContact O-N 3.11Å |
| 112 | T | 97.3 | Very high | 96 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | A108 L109 Q114 F115 A116 | A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.09Å; A108-T112 PolarHBondContact O-OG1 3.47Å; L109-T112 WeakPolarHBondContact CA-OG1 3.41Å; L109-T112 PolarHBondContact O-OG1 2.84Å; T112-Q114 VanDerWaalsContact C-N 3.32Å; T112-Q114 PolarHBondContact O-N 3.37Å; T112-F115 PolarHBondContact O-N 3.45Å; T112-A116 WeakPolarHBondContact O-CB 3.41Å; T112-A116 PolarHBondContact O-N 2.97Å |
| 113 | A | 96.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F33 F37 L109 A110 V111 A116 G117 | F33-A113 HydrophobicContact CB-CB 4.35Å; F33-A113 HydrophobicContact CD2-CB 4.03Å; F33-A113 VanDerWaalsContact O-CB 3.22Å; F33-A113 WeakPolarHBondContact O-CB 3.34Å; F37-A113 WeakPolarHBondContact CA-O 3.44Å; F37-A113 HydrophobicContact CB-CB 4.02Å; F37-A113 WeakPolarHBondContact CD2-O 3.45Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.87Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.48Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.22Å; A113-A116 PolarHBondContact O-N 3.06Å; A113-G117 PolarHBondContact O-N 3.45Å |
| 114 | Q | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -47 | 176.5 | -71.4 | 165.8 | -17.4 | 0 | 0 | 111.7 | E36 S40 N89 P90 A110 V111 T112 A116 G117 A118 | E36-Q114 HydrophobicContact CB-CG 3.96Å; E36-Q114 PolarHBondContact OE2-NE2 3.4Å; S40-Q114 WeakPolarHBondContact CB-O 3.43Å; S40-Q114 PolarHBondContact OG-O 3.02Å; N89-Q114 VanDerWaalsContact N-NE2 3.13Å; N89-Q114 PolarHBondContact O-NE2 3.24Å; P90-Q114 VanDerWaalsContact CD-OE1 3.25Å; P90-Q114 HydrophobicContact CG-CB 4.35Å; P90-Q114 VanDerWaalsContact CG-OE1 3.25Å; A110-Q114 WeakPolarHBondContact O-CG 3.39Å; A110-Q114 PolarHBondContact O-N 3.46Å; V111-Q114 PolarHBondContact O-N 3.24Å; T112-Q114 VanDerWaalsContact C-N 3.32Å; T112-Q114 PolarHBondContact O-N 3.37Å; Q114-A116 VanDerWaalsContact C-N 3.34Å; Q114-A116 PolarHBondContact O-N 2.91Å; Q114-G117 PolarHBondContact O-N 2.91Å; Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 3.01Å |
| 115 | F | 98.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.2 | -79.3 | -74 | 0 | 0 | 0 | 112.7 | P90 V111 T112 A118 H119 P209 Y213 W232 | P90-F115 HydrophobicContact CG-CE2 4.02Å; P90-F115 HydrophobicContact CG-CZ 4.35Å; V111-F115 HydrophobicContact CG1-CD2 3.96Å; V111-F115 HydrophobicContact CG1-CE2 3.86Å; V111-F115 WeakPolarHBondContact O-CD2 3.36Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F115 VanDerWaalsContact O-N 3.11Å; T112-F115 PolarHBondContact O-N 3.45Å; F115-A118 PolarHBondContact O-N 3.29Å; F115-H119 WeakPolarHBondContact O-CB 3.34Å; F115-H119 PolarHBondContact O-N 3.42Å; F115-P209 HydrophobicContact CZ-CB 4.19Å; F115-Y213 AromaticContact CD1-CD1 3.82Å; F115-Y213 HydrophobicContact CD1-CD1 3.82Å; F115-Y213 HydrophobicContact CD1-CE1 4.48Å; F115-Y213 AromaticContact CD1-CG 3.88Å; F115-Y213 HydrophobicContact CD1-CG 3.88Å; F115-Y213 HydrophobicContact CE1-CD1 4.4Å; F115-Y213 HydrophobicContact CE1-CG 4.02Å; F115-W232 HydrophobicContact CD1-CZ2 4.46Å; F115-W232 AromaticContact CE1-CE2 3.9Å; F115-W232 HydrophobicContact CE1-CH2 4.13Å; F115-W232 AromaticContact CE1-CZ2 3.43Å; F115-W232 HydrophobicContact CE1-CZ2 3.43Å; F115-W232 VanDerWaalsContact CE1-CZ2 3.43Å; F115-W232 AromaticContact CZ-CE2 3.86Å; F115-W232 HydrophobicContact CZ-CH2 4.13Å; F115-W232 AromaticContact CZ-CZ2 3.65Å; F115-W232 HydrophobicContact CZ-CZ2 3.65Å |
| 116 | A | 98.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | F37 T112 A113 Q114 H119 L120 | F37-A116 HydrophobicContact CD2-CB 3.92Å; F37-A116 HydrophobicContact CE2-CB 4.01Å; T112-A116 WeakPolarHBondContact O-CB 3.41Å; T112-A116 PolarHBondContact O-N 2.97Å; A113-A116 PolarHBondContact O-N 3.06Å; Q114-A116 VanDerWaalsContact C-N 3.34Å; Q114-A116 PolarHBondContact O-N 2.91Å; A116-H119 PolarHBondContact O-N 3.49Å; A116-L120 PolarHBondContact O-N 2.85Å |
| 117 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F37 F41 A113 Q114 H119 L120 G121 | F37-G117 VanDerWaalsContact CD2-CA 3.4Å; F37-G117 VanDerWaalsContact CE2-CA 3.49Å; F41-G117 VanDerWaalsContact CA-O 3.29Å; F41-G117 WeakPolarHBondContact CA-O 3.45Å; A113-G117 PolarHBondContact O-N 3.45Å; Q114-G117 PolarHBondContact O-N 2.91Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.01Å; G117-L120 PolarHBondContact O-N 2.89Å; G117-G121 PolarHBondContact O-N 3.33Å |
| 118 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 Q114 F115 G121 L122 S210 Y213 | V44-A118 HydrophobicContact CB-CB 4.5Å; V44-A118 WeakPolarHBondContact CG1-O 3.28Å; V44-A118 HydrophobicContact CG2-CB 3.63Å; Q114-A118 WeakPolarHBondContact O-CB 3.35Å; Q114-A118 PolarHBondContact O-N 3.01Å; F115-A118 PolarHBondContact O-N 3.29Å; A118-G121 PolarHBondContact O-N 3.18Å; A118-L122 PolarHBondContact O-N 2.95Å; A118-S210 VanDerWaalsContact CB-O 3.3Å; A118-S210 WeakPolarHBondContact CB-O 3.41Å; A118-Y213 HydrophobicContact CB-CD1 4.3Å |
| 119 | H | 97.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 39.7 Ų | 39.7 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.3 | -44 | 178.4 | -164.5 | 79.5 | 0 | 0 | 0 | 111.9 | F115 A116 G117 G121 L122 L123 Y213 | F115-H119 WeakPolarHBondContact O-CB 3.34Å; F115-H119 PolarHBondContact O-N 3.42Å; A116-H119 PolarHBondContact O-N 3.49Å; G117-H119 VanDerWaalsContact C-N 3.34Å; G117-H119 PolarHBondContact O-N 3.01Å; H119-G121 VanDerWaalsContact C-N 3.28Å; H119-G121 PolarHBondContact O-N 2.85Å; H119-L122 WeakPolarHBondContact O-CB 3.31Å; H119-L122 PolarHBondContact O-N 3.05Å; H119-L123 WeakPolarHBondContact O-CG 3.38Å; H119-L123 PolarHBondContact O-N 3.29Å; H119-Y213 HydrophobicContact CB-CE1 4.13Å; H119-Y213 AromaticContact ND1-CE1 3.94Å; H119-Y213 AromaticContact ND1-CZ 3.9Å; H119-Y213 PolarHBondContact ND1-OH 3.26Å |
| 120 | L | 97.9 | Very high | 96.4 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 174.8 | -176.5 | 64.6 | 0 | 0 | 0 | 111.6 | F37 F41 A116 G117 L122 L123 A124 | F37-L120 HydrophobicContact CE1-CD2 4.13Å; F37-L120 HydrophobicContact CZ-CB 4.22Å; F37-L120 HydrophobicContact CZ-CD2 3.52Å; F41-L120 HydrophobicContact CD2-CB 4.02Å; F41-L120 HydrophobicContact CD2-CD2 4.01Å; F41-L120 HydrophobicContact CD2-CG 3.87Å; F41-L120 HydrophobicContact CE2-CB 4.45Å; F41-L120 HydrophobicContact CE2-CD2 4.1Å; F41-L120 HydrophobicContact CE2-CG 3.86Å; A116-L120 PolarHBondContact O-N 2.85Å; G117-L120 PolarHBondContact O-N 2.89Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.16Å; L120-L123 PolarHBondContact O-N 3.42Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.93Å |
| 121 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G117 A118 H119 A124 A125 | G117-G121 PolarHBondContact O-N 3.33Å; A118-G121 PolarHBondContact O-N 3.18Å; H119-G121 VanDerWaalsContact C-N 3.28Å; H119-G121 PolarHBondContact O-N 2.85Å; G121-A124 PolarHBondContact O-N 3.25Å; G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 2.83Å |
| 122 | L | 95.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 172 | 174.7 | 63.7 | 0 | 0 | 0 | 112.3 | L48 A118 H119 L120 A125 R126 H218 | L48-L122 HydrophobicContact CD1-CB 4.23Å; L48-L122 HydrophobicContact CD1-CD1 3.87Å; A118-L122 PolarHBondContact O-N 2.95Å; H119-L122 WeakPolarHBondContact O-CB 3.31Å; H119-L122 PolarHBondContact O-N 3.05Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.16Å; L122-A125 PolarHBondContact O-N 3.46Å; L122-R126 HydrophobicContact CD1-CG 4.36Å; L122-R126 WeakPolarHBondContact O-CG 3.36Å; L122-R126 PolarHBondContact O-N 2.58Å; L122-H218 HydrophobicContact CD2-CB 4.46Å; L122-H218 WeakPolarHBondContact CD2-ND1 3.48Å |
| 123 | L | 96.1 | Very high | 95.8 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 42% | 0.424 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.3 | -65 | 178.1 | 0 | 0 | 0 | 111.8 | H119 L120 R126 Y127 | H119-L123 WeakPolarHBondContact O-CG 3.38Å; H119-L123 PolarHBondContact O-N 3.29Å; L120-L123 PolarHBondContact O-N 3.42Å; L123-R126 PolarHBondContact O-N 2.86Å; L123-Y127 WeakPolarHBondContact O-CB 3.11Å; L123-Y127 PolarHBondContact O-N 2.93Å |
| 124 | A | 96.2 | Very high | 95.5 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 22% | 0.223 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F41 L120 G121 Y127 Y128 | F41-A124 HydrophobicContact CE2-CB 3.85Å; F41-A124 HydrophobicContact CZ-CB 4.2Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.93Å; G121-A124 PolarHBondContact O-N 3.25Å; A124-Y127 PolarHBondContact O-N 3.05Å; A124-Y128 WeakPolarHBondContact O-CB 3.39Å; A124-Y128 PolarHBondContact O-N 2.97Å |
| 125 | A | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y10 L48 G121 L122 Y127 Y128 W129 | Y10-A125 WeakPolarHBondContact OH-CA 3.31Å; Y10-A125 PolarHBondContact OH-N 2.89Å; L48-A125 HydrophobicContact CB-CB 3.71Å; L48-A125 HydrophobicContact CD1-CB 3.49Å; L48-A125 VanDerWaalsContact CD1-CB 3.49Å; L48-A125 HydrophobicContact CG-CB 4.22Å; G121-A125 WeakPolarHBondContact O-CB 3.45Å; G121-A125 PolarHBondContact O-N 2.83Å; L122-A125 PolarHBondContact O-N 3.46Å; A125-Y127 VanDerWaalsContact C-N 3.34Å; A125-Y127 PolarHBondContact O-N 3.23Å; A125-Y128 WeakPolarHBondContact O-CB 3.42Å; A125-Y128 PolarHBondContact O-N 2.74Å; A125-Y128 VanDerWaalsContact O-N 3.16Å; A125-W129 HydrophobicContact CB-CH2 4.41Å; A125-W129 HydrophobicContact CB-CZ2 4.09Å; A125-W129 VanDerWaalsContact O-CD2 3.26Å; A125-W129 PolarHBondContact O-N 3.41Å |
| 126 | R | 93.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 49.3 Ų | 49.3 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.8 | -74.4 | 178 | 179.1 | 179.7 | -1.3 | 112.3 | L122 L123 Y128 W129 S130 | L122-R126 HydrophobicContact CD1-CG 4.36Å; L122-R126 WeakPolarHBondContact O-CG 3.36Å; L122-R126 PolarHBondContact O-N 2.58Å; L123-R126 PolarHBondContact O-N 2.86Å; R126-Y128 VanDerWaalsContact C-N 3.33Å; R126-W129 HydrophobicContact CG-CE3 4.1Å; R126-W129 HydrophobicContact CG-CZ3 4.02Å; R126-W129 PolarHBondContact O-N 2.78Å; R126-S130 PolarHBondContact O-N 2.94Å |
| 127 | Y | 94.9 | Very high | 94.3 | Very high | 156 Ų | 156 | 47 Ų | 47 | 61% | 0.612 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.5 | -46.1 | 174.1 | 176.9 | -105.1 | 0 | 0 | 0 | 110.9 | L123 A124 A125 W129 S130 L131 | L123-Y127 WeakPolarHBondContact O-CB 3.11Å; L123-Y127 PolarHBondContact O-N 2.93Å; A124-Y127 PolarHBondContact O-N 3.05Å; A125-Y127 VanDerWaalsContact C-N 3.34Å; A125-Y127 PolarHBondContact O-N 3.23Å; Y127-W129 VanDerWaalsContact C-N 3.35Å; Y127-W129 PolarHBondContact O-N 3.49Å; Y127-S130 WeakPolarHBondContact O-CB 3.47Å; Y127-S130 PolarHBondContact O-N 3.46Å; Y127-S130 VanDerWaalsContact O-N 3.09Å; Y127-S130 PolarHBondContact O-OG 3.47Å; Y127-L131 HydrophobicContact CE1-CD1 4.17Å; Y127-L131 HydrophobicContact CE1-CD2 4.31Å; Y127-L131 HydrophobicContact CE1-CG 4.43Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 PolarHBondContact O-N 3Å |
| 128 | Y | 94.4 | Very high | 94 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.102 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.5 | -171.9 | -113 | 0 | 0 | 0 | 112.7 | A6 Y10 A124 A125 R126 S130 L131 L133 H137 | A6-Y128 VanDerWaalsContact C-OH 3.3Å; A6-Y128 PolarHBondContact O-OH 3.48Å; Y10-Y128 AromaticContact CD2-CD1 3.64Å; Y10-Y128 HydrophobicContact CD2-CD1 3.64Å; Y10-Y128 AromaticContact CD2-CD2 3.63Å; Y10-Y128 HydrophobicContact CD2-CD2 3.63Å; Y10-Y128 AromaticContact CD2-CE1 3.92Å; Y10-Y128 HydrophobicContact CD2-CE1 3.92Å; Y10-Y128 AromaticContact CD2-CE2 3.93Å; Y10-Y128 HydrophobicContact CD2-CE2 3.93Å; Y10-Y128 AromaticContact CD2-CG 3.49Å; Y10-Y128 HydrophobicContact CD2-CG 3.49Å; Y10-Y128 VanDerWaalsContact CD2-CG 3.49Å; Y10-Y128 HydrophobicContact CE2-CD1 4.04Å; Y10-Y128 HydrophobicContact CE2-CD2 4.18Å; Y10-Y128 AromaticContact CE2-CG 3.73Å; Y10-Y128 HydrophobicContact CE2-CG 3.73Å; Y10-Y128 AromaticContact CG-CD1 3.91Å; Y10-Y128 HydrophobicContact CG-CD1 3.91Å; Y10-Y128 HydrophobicContact CG-CD2 4.45Å; Y10-Y128 AromaticContact CG-CE1 3.83Å; Y10-Y128 HydrophobicContact CG-CE1 3.83Å; Y10-Y128 HydrophobicContact CG-CE2 4.4Å; Y10-Y128 HydrophobicContact CG-CG 4.23Å; A124-Y128 WeakPolarHBondContact O-CB 3.39Å; A124-Y128 PolarHBondContact O-N 2.97Å; A125-Y128 WeakPolarHBondContact O-CB 3.42Å; A125-Y128 PolarHBondContact O-N 2.74Å; A125-Y128 VanDerWaalsContact O-N 3.16Å; R126-Y128 VanDerWaalsContact C-N 3.33Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3.14Å; Y128-L131 HydrophobicContact CD2-CD1 4.19Å; Y128-L131 WeakPolarHBondContact O-CB 3.49Å; Y128-L131 PolarHBondContact O-N 3.27Å; Y128-L133 HydrophobicContact CD2-CD1 4.44Å; Y128-L133 HydrophobicContact CE2-CD1 3.55Å; Y128-H137 AromaticContact CE1-CD2 3.9Å; Y128-H137 AromaticContact CE1-CE1 3.71Å; Y128-H137 AromaticContact CE1-NE2 3.38Å; Y128-H137 WeakPolarHBondContact CE1-NE2 3.39Å |
| 129 | W | 93.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 173.9 | -57.4 | -25.3 | 0 | 0 | 0 | 112.3 | L48 T52 A125 R126 Y127 L131 E132 H137 K140 N141 | L48-W129 HydrophobicContact CB-CH2 4.18Å; L48-W129 HydrophobicContact CB-CZ2 3.83Å; L48-W129 HydrophobicContact CD2-CH2 4.01Å; L48-W129 HydrophobicContact CD2-CZ2 4.48Å; T52-W129 PolarHBondContact OG1-NE1 3.29Å; A125-W129 HydrophobicContact CB-CH2 4.41Å; A125-W129 HydrophobicContact CB-CZ2 4.09Å; A125-W129 VanDerWaalsContact O-CD2 3.26Å; A125-W129 PolarHBondContact O-N 3.41Å; R126-W129 HydrophobicContact CG-CE3 4.1Å; R126-W129 HydrophobicContact CG-CZ3 4.02Å; R126-W129 PolarHBondContact O-N 2.78Å; Y127-W129 VanDerWaalsContact C-N 3.35Å; Y127-W129 PolarHBondContact O-N 3.49Å; W129-L131 PolarHBondContact O-N 3.47Å; W129-E132 PolarHBondContact O-N 3.39Å; W129-H137 AromaticContact CD1-CD2 3.87Å; W129-K140 HydrophobicContact CD2-CG 3.68Å; W129-K140 HydrophobicContact CE3-CG 4.06Å; W129-K140 HydrophobicContact CG-CB 4.42Å; W129-K140 HydrophobicContact CG-CG 4.02Å; W129-K140 HydrophobicContact CH2-CG 4.35Å; W129-K140 HydrophobicContact CZ2-CD 4.48Å; W129-K140 HydrophobicContact CZ2-CG 4.01Å; W129-K140 HydrophobicContact CZ3-CG 4.39Å; W129-N141 HydrophobicContact CB-CB 4.24Å |
| 130 | S | 94.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.3 | -14.1 | 177.4 | 77.9 | 0 | 0 | 0 | 0 | 114.5 | R126 Y127 Y128 | R126-S130 PolarHBondContact O-N 2.94Å; Y127-S130 WeakPolarHBondContact O-CB 3.47Å; Y127-S130 PolarHBondContact O-N 3.46Å; Y127-S130 VanDerWaalsContact O-N 3.09Å; Y127-S130 PolarHBondContact O-OG 3.47Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3.14Å |
| 131 | L | 93.9 | Very high | 92.9 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.1 | 171.7 | -59.6 | 178.6 | 0 | 0 | 0 | 112.6 | Y127 Y128 W129 L133 | Y127-L131 HydrophobicContact CE1-CD1 4.17Å; Y127-L131 HydrophobicContact CE1-CD2 4.31Å; Y127-L131 HydrophobicContact CE1-CG 4.43Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 PolarHBondContact O-N 3Å; Y128-L131 HydrophobicContact CD2-CD1 4.19Å; Y128-L131 WeakPolarHBondContact O-CB 3.49Å; Y128-L131 PolarHBondContact O-N 3.27Å; W129-L131 PolarHBondContact O-N 3.47Å; L131-L133 HydrophobicContact CB-CD1 4.5Å; L131-L133 HydrophobicContact CB-CD2 4.09Å; L131-L133 HydrophobicContact CB-CG 3.89Å; L131-L133 PolarHBondContact O-N 3.4Å |
| 132 | E | 93.1 | Very high | 92.5 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | trans | 49.6 | 36.3 | 172.9 | -57 | -174.1 | 166.8 | 0 | 0 | 113.6 | W129 T134 M138 N141 | W129-E132 PolarHBondContact O-N 3.39Å; E132-T134 PolarHBondContact O-N 3.04Å; E132-T134 VanDerWaalsContact O-N 3.1Å; E132-M138 HydrophobicContact CB-CB 4.23Å; E132-M138 HydrophobicContact CG-CB 4.37Å; E132-N141 PolarHBondContact OE1-ND2 3.27Å | ||
| 133 | L | 90.7 | Very high | 92 | Very high | 99 Ų | 99 | 58.3 Ų | 58.3 | 52% | 0.518 | 29% | 0.291 | S | S | . | . | trans | -62.3 | -23.5 | -172.4 | -62.7 | 178.4 | 0 | 0 | 0 | 113.6 | Y128 L131 | Y128-L133 HydrophobicContact CD2-CD1 4.44Å; Y128-L133 HydrophobicContact CE2-CD1 3.55Å; L131-L133 HydrophobicContact CB-CD1 4.5Å; L131-L133 HydrophobicContact CB-CD2 4.09Å; L131-L133 HydrophobicContact CB-CG 3.89Å; L131-L133 PolarHBondContact O-N 3.4Å | ||
| 134 | T | 90.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -145.1 | 163.2 | 178.8 | 73.8 | 0 | 0 | 0 | 0 | 110.3 | A6 E132 M136 H137 M138 | A6-T134 HydrophobicContact CB-CG2 3.67Å; E132-T134 PolarHBondContact O-N 3.04Å; E132-T134 VanDerWaalsContact O-N 3.1Å; T134-M136 PolarHBondContact O-N 3.3Å; T134-H137 WeakPolarHBondContact O-CA 3.35Å; T134-H137 PolarHBondContact O-N 3.48Å; T134-H137 PolarHBondContact OG1-CE1 2.92Å; T134-H137 PolarHBondContact OG1-N 3.25Å; T134-H137 PolarHBondContact OG1-ND1 2.88Å; T134-M138 PolarHBondContact O-N 3.38Å |
| 135 | D | 89.6 | Confident | 89.9 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -55.4 | -34.8 | 176.7 | -60.5 | -29.5 | 0 | 0 | 0 | 112.3 | A60 I139 | A60-D135 HydrophobicContact CB-CB 4.48Å; D135-I139 WeakPolarHBondContact O-CB 3.38Å; D135-I139 WeakPolarHBondContact O-CD1 3.46Å; D135-I139 WeakPolarHBondContact O-CG1 3.45Å; D135-I139 PolarHBondContact O-N 3.42Å |
| 136 | M | 89.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.8 | -65.8 | -175.3 | -170 | 0 | 0 | 111.9 | T52 A60 L63 T134 K140 | T52-M136 HydrophobicContact CG2-CB 4.37Å; A60-M136 HydrophobicContact CB-CG 3.89Å; L63-M136 HydrophobicContact CD1-CE 3.64Å; L63-M136 HydrophobicContact CD1-SD 4.15Å; L63-M136 HydrophobicContact CG-CE 3.86Å; T134-M136 PolarHBondContact O-N 3.3Å; M136-K140 VanDerWaalsContact O-CB 3.24Å; M136-K140 WeakPolarHBondContact O-CB 3.31Å; M136-K140 PolarHBondContact O-N 3.34Å |
| 137 | H | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | -178.6 | -62.6 | 119.7 | 0 | 0 | 0 | 111.5 | E49 Y128 W129 T134 K140 N141 | E49-H137 IonicContact OE1-CD2 2.94Å; E49-H137 IonicContact OE1-CE1 2.66Å; E49-H137 IonicContact OE1-NE2 2.62Å; E49-H137 PolarHBondContact OE1-NE2 3.27Å; E49-H137 IonicContact OE2-CD2 3.87Å; E49-H137 IonicContact OE2-NE2 2.78Å; E49-H137 PolarHBondContact OE2-NE2 2.92Å; Y128-H137 AromaticContact CE1-CD2 3.9Å; Y128-H137 AromaticContact CE1-CE1 3.71Å; Y128-H137 AromaticContact CE1-NE2 3.38Å; Y128-H137 WeakPolarHBondContact CE1-NE2 3.39Å; W129-H137 AromaticContact CD1-CD2 3.87Å; T134-H137 WeakPolarHBondContact O-CA 3.35Å; T134-H137 PolarHBondContact O-N 3.48Å; T134-H137 PolarHBondContact OG1-CE1 2.92Å; T134-H137 PolarHBondContact OG1-N 3.25Å; T134-H137 PolarHBondContact OG1-ND1 2.88Å; H137-K140 PolarHBondContact O-N 2.75Å; H137-N141 VanDerWaalsContact O-CB 3.29Å; H137-N141 WeakPolarHBondContact O-CB 3.34Å; H137-N141 PolarHBondContact O-N 3.08Å |
| 138 | M | 90.9 | Very high | 87.6 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 173.1 | -177.1 | -172.2 | 66.2 | 0 | 0 | 111.2 | E132 T134 K140 N141 L142 | E132-M138 HydrophobicContact CB-CB 4.23Å; E132-M138 HydrophobicContact CG-CB 4.37Å; T134-M138 PolarHBondContact O-N 3.38Å; M138-K140 VanDerWaalsContact C-N 3.34Å; M138-K140 PolarHBondContact O-N 2.89Å; M138-N141 WeakPolarHBondContact O-CB 3.43Å; M138-N141 PolarHBondContact O-N 2.77Å; M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 3.3Å |
| 139 | I | 89.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 178.9 | -66.9 | 164.4 | 0 | 0 | 0 | 110.6 | V56 A60 D135 N141 L142 M143 | V56-I139 HydrophobicContact CG1-CB 3.87Å; V56-I139 HydrophobicContact CG1-CD1 3.9Å; V56-I139 HydrophobicContact CG1-CG2 3.69Å; V56-I139 HydrophobicContact CG2-CG2 3.98Å; A60-I139 HydrophobicContact CB-CD1 3.86Å; D135-I139 WeakPolarHBondContact O-CB 3.38Å; D135-I139 WeakPolarHBondContact O-CD1 3.46Å; D135-I139 WeakPolarHBondContact O-CG1 3.45Å; D135-I139 PolarHBondContact O-N 3.42Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.23Å; I139-L142 PolarHBondContact O-N 2.84Å; I139-M143 HydrophobicContact CG2-CG 4.39Å; I139-M143 HydrophobicContact CG2-SD 3.89Å; I139-M143 WeakPolarHBondContact O-CG 3.33Å; I139-M143 PolarHBondContact O-N 3.48Å |
| 140 | K | 90 | Very high | 87.1 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.7 | -170.2 | 70.1 | 177 | -173.4 | 0 | 112.2 | T52 E55 W129 M136 H137 M138 M143 S144 | T52-K140 HydrophobicContact CG2-CB 3.77Å; T52-K140 HydrophobicContact CG2-CD 4.13Å; T52-K140 HydrophobicContact CG2-CG 3.86Å; T52-K140 WeakPolarHBondContact OG1-CG 3.45Å; E55-K140 IonicContact OE1-NZ 3.62Å; E55-K140 PolarHBondContact OE1-NZ 2.92Å; E55-K140 IonicContact OE2-NZ 3.9Å; E55-K140 PolarHBondContact OE2-NZ 2.81Å; W129-K140 HydrophobicContact CD2-CG 3.68Å; W129-K140 HydrophobicContact CE3-CG 4.06Å; W129-K140 HydrophobicContact CG-CB 4.42Å; W129-K140 HydrophobicContact CG-CG 4.02Å; W129-K140 HydrophobicContact CH2-CG 4.35Å; W129-K140 HydrophobicContact CZ2-CD 4.48Å; W129-K140 HydrophobicContact CZ2-CG 4.01Å; W129-K140 HydrophobicContact CZ3-CG 4.39Å; M136-K140 VanDerWaalsContact O-CB 3.24Å; M136-K140 WeakPolarHBondContact O-CB 3.31Å; M136-K140 PolarHBondContact O-N 3.34Å; H137-K140 PolarHBondContact O-N 2.75Å; M138-K140 VanDerWaalsContact C-N 3.34Å; M138-K140 PolarHBondContact O-N 2.89Å; K140-M143 CarbonylContact O-C 3.59Å; K140-M143 PolarHBondContact O-N 3.47Å; K140-S144 WeakPolarHBondContact O-CB 3.23Å; K140-S144 PolarHBondContact O-N 3.29Å |
| 141 | N | 91.5 | Very high | 87.1 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.5 | -171.7 | 35.5 | 0 | 0 | 0 | 111 | W129 E132 H137 M138 I139 M143 S144 | W129-N141 HydrophobicContact CB-CB 4.24Å; E132-N141 PolarHBondContact OE1-ND2 3.27Å; H137-N141 VanDerWaalsContact O-CB 3.29Å; H137-N141 WeakPolarHBondContact O-CB 3.34Å; H137-N141 PolarHBondContact O-N 3.08Å; M138-N141 WeakPolarHBondContact O-CB 3.43Å; M138-N141 PolarHBondContact O-N 2.77Å; I139-N141 VanDerWaalsContact C-N 3.32Å; I139-N141 PolarHBondContact O-N 3.23Å; N141-M143 PolarHBondContact O-N 3.45Å; N141-S144 WeakPolarHBondContact O-CB 3.44Å; N141-S144 PolarHBondContact O-N 2.9Å; N141-S144 PolarHBondContact O-OG 3.4Å |
| 142 | L | 88.3 | Confident | 87.2 | Confident | 121 Ų | 121 | 64.3 Ų | 64.3 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 175.3 | -66.9 | 171.6 | 0 | 0 | 0 | 111.9 | M138 I139 S144 | M138-L142 WeakPolarHBondContact O-CG 3.43Å; M138-L142 PolarHBondContact O-N 3.3Å; I139-L142 PolarHBondContact O-N 2.84Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 2.95Å |
| 143 | M | 85.4 | Confident | 87.3 | Confident | 80 Ų | 80 | 61 Ų | 61 | 39% | 0.394 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.3 | -19.4 | 177.9 | -68 | 179 | 67.1 | 0 | 0 | 113.7 | V56 I139 K140 N141 R145 E146 C147 | V56-M143 HydrophobicContact CG2-SD 4.15Å; I139-M143 HydrophobicContact CG2-CG 4.39Å; I139-M143 HydrophobicContact CG2-SD 3.89Å; I139-M143 WeakPolarHBondContact O-CG 3.33Å; I139-M143 PolarHBondContact O-N 3.48Å; K140-M143 CarbonylContact O-C 3.59Å; K140-M143 PolarHBondContact O-N 3.47Å; N141-M143 PolarHBondContact O-N 3.45Å; M143-R145 PolarHBondContact O-N 2.68Å; M143-E146 CarbonylContact O-C 3.17Å; M143-E146 PolarHBondContact O-N 2.88Å; M143-C147 PolarHBondContact O-N 2.97Å |
| 144 | S | 79.6 | Confident | 87.6 | Confident | 30 Ų | 30 | 59 Ų | 59 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -61.5 | -22.5 | -174.1 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | K140 N141 L142 | K140-S144 WeakPolarHBondContact O-CB 3.23Å; K140-S144 PolarHBondContact O-N 3.29Å; N141-S144 WeakPolarHBondContact O-CB 3.44Å; N141-S144 PolarHBondContact O-N 2.9Å; N141-S144 PolarHBondContact O-OG 3.4Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 2.95Å |
| 145 | R | 69.5 | Low | 88 | Confident | 228 Ų | 228 | 59.7 Ų | 59.7 | 86% | 0.86 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -73.9 | -25.5 | 174.8 | -65.4 | -177.7 | 177.5 | 175.7 | 0.6 | 113.1 | M143 | M143-R145 PolarHBondContact O-N 2.68Š|
| 146 | E | 72.2 | Confident | 88.3 | Confident | 166 Ų | 166 | 59.3 Ų | 59.3 | 78% | 0.776 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -129.9 | 49.3 | -178.4 | -63.3 | -174.1 | 176.6 | 0 | 0 | 110.1 | M143 | M143-E146 CarbonylContact O-C 3.17Å; M143-E146 PolarHBondContact O-N 2.88Å |
| 147 | C | 80.8 | Confident | 88.7 | Confident | 26 Ų | 26 | 64 Ų | 64 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.9 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | M143 C219 P220 | M143-C147 PolarHBondContact O-N 2.97Å; C147-C219 HydrophobicContact CB-CB 4.18Å; C147-C219 WeakPolarHBondContact CB-SG 3.48Å; C147-C219 WeakPolarHBondContact O-CB 3.43Å; C147-C219 WeakPolarHBondContact SG-CA 3.12Å; C147-C219 WeakPolarHBondContact SG-CB 3.22Å; C147-C219 CovalentContact SG-SG 2.05Å; C147-C219 PolarHBondContact SG-SG 2.95Å; C147-P220 VanDerWaalsContact O-CD 3.3Å; C147-P220 WeakPolarHBondContact O-CD 3.46Å |
| 148 | G | 80.8 | Confident | 89 | Confident | 50 Ų | 50 | 64 Ų | 64 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -80 | 139.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 149 | T | 87.8 | Confident | 89.4 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 146.9 | 173 | -177.4 | 0 | 0 | 0 | 0 | 112 | L151 Q152 T216 F222 Y227 | T149-L151 VanDerWaalsContact CG2-O 3.31Å; T149-L151 WeakPolarHBondContact CG2-O 3.23Å; T149-L151 PolarHBondContact O-N 3.49Å; T149-L151 PolarHBondContact OG1-N 2.91Å; T149-Q152 PolarHBondContact O-NE2 3.34Å; T149-T216 PolarHBondContact OG1-OG1 3.23Å; T149-F222 HydrophobicContact CG2-CD2 4.36Å; T149-F222 HydrophobicContact CG2-CE2 4.39Å; T149-Y227 WeakPolarHBondContact CB-OH 3.28Å; T149-Y227 WeakPolarHBondContact OG1-CE1 3.25Å; T149-Y227 VanDerWaalsContact OG1-CZ 3.32Å; T149-Y227 PolarHBondContact OG1-OH 3.41Å |
| 150 | S | 90.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.2 | -9.2 | 172 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | Q51 T203 F206 T216 | Q51-S150 PolarHBondContact NE2-OG 3.48Å; S150-T203 CarbonylContact O-C 3.33Å; S150-T203 WeakPolarHBondContact O-CA 3.31Å; S150-F206 WeakPolarHBondContact OG-CZ 3.37Å; S150-T216 PolarHBondContact N-OG1 2.94Å; S150-T216 VanDerWaalsContact N-OG1 3.13Å |
| 151 | L | 94.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | trans | -89.6 | 104.3 | 175.4 | -179.8 | 57.6 | 0 | 0 | 0 | 109.7 | T149 V153 T203 F222 Y227 V230 Y231 | T149-L151 VanDerWaalsContact CG2-O 3.31Å; T149-L151 WeakPolarHBondContact CG2-O 3.23Å; T149-L151 PolarHBondContact O-N 3.49Å; T149-L151 PolarHBondContact OG1-N 2.91Å; L151-V153 HydrophobicContact CD1-CG2 3.93Å; L151-T203 HydrophobicContact CD1-CG2 3.86Å; L151-F222 HydrophobicContact CB-CD2 4.33Å; L151-F222 HydrophobicContact CB-CE2 4.14Å; L151-F222 HydrophobicContact CD2-CD1 4.29Å; L151-F222 HydrophobicContact CD2-CD2 3.8Å; L151-F222 HydrophobicContact CD2-CE1 4.25Å; L151-F222 HydrophobicContact CD2-CE2 3.75Å; L151-F222 HydrophobicContact CD2-CG 4.07Å; L151-F222 HydrophobicContact CD2-CZ 3.98Å; L151-F222 HydrophobicContact CG-CD2 4.21Å; L151-F222 HydrophobicContact CG-CE2 3.78Å; L151-F222 HydrophobicContact CG-CZ 4.13Å; L151-Y227 HydrophobicContact CB-CE1 4.06Å; L151-Y227 HydrophobicContact CD2-CD1 4.25Å; L151-Y227 HydrophobicContact CD2-CE1 4.19Å; L151-V230 HydrophobicContact CD1-CG1 4.02Å; L151-V230 HydrophobicContact CD2-CB 4.4Å; L151-V230 HydrophobicContact CD2-CG1 4.29Å; L151-V230 HydrophobicContact CD2-CG2 4Å; L151-Y231 HydrophobicContact CB-CE2 4.29Å; L151-Y231 PolarHBondContact N-OH 3.25Å | ||
| 152 | Q | 94.9 | Very high | 90.5 | Very high | 123 Ų | 123 | 65.3 Ų | 65.3 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | trans | -103.6 | 3 | -174 | -64.3 | -66.1 | -40.6 | 0 | 0 | 112.9 | T149 S201 Y202 | T149-Q152 PolarHBondContact O-NE2 3.34Å; Q152-S201 WeakPolarHBondContact CB-O 3.47Å; Q152-Y202 PolarHBondContact N-O 2.94Å | ||
| 153 | V | 96 | Very high | 90.9 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -130.4 | 172.2 | -177.7 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | L151 Q157 Y202 | L151-V153 HydrophobicContact CD1-CG2 3.93Å; V153-Q157 HydrophobicContact CB-CB 4.06Å; V153-Q157 HydrophobicContact CG2-CB 3.92Å; V153-Y202 HydrophobicContact CB-CD1 4.47Å; V153-Y202 HydrophobicContact CG1-CD1 3.72Å; V153-Y202 HydrophobicContact CG1-CE1 4.19Å; V153-Y202 HydrophobicContact CG1-CG 4.11Å; V153-Y202 HydrophobicContact CG2-CD1 4.15Å |
| 154 | S | 97 | Very high | 91.5 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | trans | -57.9 | 153.4 | 175.2 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | V156 Q157 G158 | S154-V156 PolarHBondContact O-N 3.32Å; S154-Q157 PolarHBondContact O-N 3.44Å; S154-Q157 VanDerWaalsContact O-N 3.13Å; S154-Q157 WeakPolarHBondContact OG-CB 3.33Å; S154-Q157 WeakPolarHBondContact OG-CG 3.33Å; S154-Q157 PolarHBondContact OG-N 2.93Å; S154-Q157 PolarHBondContact OG-OE1 2.78Å; S154-G158 PolarHBondContact O-N 3.35Å | ||
| 155 | V | 97.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -51.5 | -42.2 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | F159 F222 E226 V229 V230 | V155-F159 WeakPolarHBondContact O-CB 3.32Å; V155-F159 PolarHBondContact O-N 2.95Å; V155-F222 HydrophobicContact CG2-CD1 3.83Å; V155-F222 HydrophobicContact CG2-CE1 3.81Å; V155-E226 HydrophobicContact CG2-CB 3.97Å; V155-E226 HydrophobicContact CG2-CG 3.97Å; V155-V229 HydrophobicContact CG1-CG1 4.25Å; V155-V230 HydrophobicContact CB-CG2 4.3Å; V155-V230 HydrophobicContact CG1-CG2 3.8Å; V155-V230 WeakPolarHBondContact O-CG2 3.11Å |
| 156 | V | 97.7 | Very high | 93.8 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 58% | 0.582 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.8 | -48.4 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | S154 G158 F159 F160 | S154-V156 PolarHBondContact O-N 3.32Å; V156-G158 PolarHBondContact O-N 3.22Å; V156-F159 WeakPolarHBondContact O-CB 3.27Å; V156-F159 PolarHBondContact O-N 2.71Å; V156-F160 HydrophobicContact CG1-CD2 3.93Å; V156-F160 HydrophobicContact CG1-CE2 3.76Å; V156-F160 VanDerWaalsContact O-CD2 3.23Å; V156-F160 WeakPolarHBondContact O-CD2 3.43Å; V156-F160 PolarHBondContact O-N 3.4Å; V156-F160 VanDerWaalsContact O-N 3.15Å |
| 157 | Q | 97.4 | Very high | 95 | Very high | 102 Ų | 102 | 42 Ų | 42 | 48% | 0.477 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 177.5 | -74.3 | 168.8 | -36.4 | 0 | 0 | 111.1 | V153 S154 F159 F160 T161 | V153-Q157 HydrophobicContact CB-CB 4.06Å; V153-Q157 HydrophobicContact CG2-CB 3.92Å; S154-Q157 PolarHBondContact O-N 3.44Å; S154-Q157 VanDerWaalsContact O-N 3.13Å; S154-Q157 WeakPolarHBondContact OG-CB 3.33Å; S154-Q157 WeakPolarHBondContact OG-CG 3.33Å; S154-Q157 PolarHBondContact OG-N 2.93Å; S154-Q157 PolarHBondContact OG-OE1 2.78Å; Q157-F159 VanDerWaalsContact C-N 3.32Å; Q157-F159 PolarHBondContact O-N 2.96Å; Q157-F160 PolarHBondContact O-N 3.01Å; Q157-T161 PolarHBondContact O-N 3.46Å; Q157-T161 PolarHBondContact O-OG1 3.42Å; Q157-T161 VanDerWaalsContact O-OG1 3.06Å |
| 158 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S154 V156 F160 T161 E162 T203 | S154-G158 PolarHBondContact O-N 3.35Å; V156-G158 PolarHBondContact O-N 3.22Å; G158-F160 PolarHBondContact O-N 3.09Å; G158-T161 PolarHBondContact O-N 2.89Å; G158-E162 PolarHBondContact O-N 3.47Å; G158-T203 VanDerWaalsContact CA-CG2 3.41Å |
| 159 | F | 98.3 | Very high | 96.6 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 175.4 | 175.8 | -88.3 | 0 | 0 | 0 | 111.8 | V155 V156 Q157 C163 V229 L233 S234 | V155-F159 WeakPolarHBondContact O-CB 3.32Å; V155-F159 PolarHBondContact O-N 2.95Å; V156-F159 WeakPolarHBondContact O-CB 3.27Å; V156-F159 PolarHBondContact O-N 2.71Å; Q157-F159 VanDerWaalsContact C-N 3.32Å; Q157-F159 PolarHBondContact O-N 2.96Å; F159-C163 WeakPolarHBondContact O-CB 3.43Å; F159-C163 PolarHBondContact O-N 3Å; F159-V229 HydrophobicContact CD2-CG1 4Å; F159-V229 WeakPolarHBondContact CD2-O 3.49Å; F159-L233 HydrophobicContact CE2-CB 4.4Å; F159-L233 HydrophobicContact CE2-CD2 4.21Å; F159-L233 HydrophobicContact CE2-CG 4.07Å; F159-S234 WeakPolarHBondContact O-CB 3.4Å |
| 160 | F | 98.1 | Very high | 97.1 | Very high | 134 Ų | 134 | 41.3 Ų | 41.3 | 59% | 0.588 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.8 | -39.2 | -179.8 | -79 | -69.8 | 0 | 0 | 0 | 112.3 | V156 Q157 G158 C163 A164 | V156-F160 HydrophobicContact CG1-CD2 3.93Å; V156-F160 HydrophobicContact CG1-CE2 3.76Å; V156-F160 VanDerWaalsContact O-CD2 3.23Å; V156-F160 WeakPolarHBondContact O-CD2 3.43Å; V156-F160 PolarHBondContact O-N 3.4Å; V156-F160 VanDerWaalsContact O-N 3.15Å; Q157-F160 PolarHBondContact O-N 3.01Å; G158-F160 PolarHBondContact O-N 3.09Å; F160-C163 PolarHBondContact O-N 3.25Å; F160-A164 VanDerWaalsContact O-CB 3.3Å; F160-A164 WeakPolarHBondContact O-CB 3.5Å; F160-A164 PolarHBondContact O-N 3.04Å |
| 161 | T | 97.7 | Very high | 97.4 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -54.1 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | Q157 G158 C163 A164 C165 A199 T203 | Q157-T161 PolarHBondContact O-N 3.46Å; Q157-T161 PolarHBondContact O-OG1 3.42Å; Q157-T161 VanDerWaalsContact O-OG1 3.06Å; G158-T161 PolarHBondContact O-N 2.89Å; T161-C163 VanDerWaalsContact C-N 3.33Å; T161-C163 PolarHBondContact O-N 3.47Å; T161-A164 PolarHBondContact O-N 3.1Å; T161-C165 WeakPolarHBondContact O-CB 3.29Å; T161-C165 PolarHBondContact O-N 3.01Å; T161-C165 PolarHBondContact O-SG 3.29Å; T161-C165 VanDerWaalsContact O-SG 3.37Å; T161-A199 HydrophobicContact CG2-CB 4.22Å; T161-T203 HydrophobicContact CG2-CG2 4.39Å |
| 162 | E | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 178.2 | -76.4 | -70.1 | 157.3 | 0 | 0 | 111.9 | G158 C165 A166 T203 A205 F206 M207 V230 Y231 S234 | G158-E162 PolarHBondContact O-N 3.47Å; E162-C165 PolarHBondContact O-N 2.92Å; E162-A166 WeakPolarHBondContact O-CB 3.35Å; E162-A166 PolarHBondContact O-N 3.24Å; E162-T203 HydrophobicContact CG-CG2 4.03Å; E162-T203 WeakPolarHBondContact CG-OG1 3.37Å; E162-T203 VanDerWaalsContact OE1-CB 3.22Å; E162-T203 WeakPolarHBondContact OE1-CB 3.49Å; E162-T203 PolarHBondContact OE1-OG1 3.02Å; E162-A205 WeakPolarHBondContact OE1-CA 3.49Å; E162-A205 PolarHBondContact OE1-N 3.41Å; E162-F206 PolarHBondContact OE1-N 3.07Å; E162-F206 PolarHBondContact OE2-N 2.78Å; E162-M207 PolarHBondContact OE2-N 3.04Å; E162-V230 WeakPolarHBondContact CB-O 3.36Å; E162-V230 HydrophobicContact CG-CG1 4.36Å; E162-V230 WeakPolarHBondContact CG-O 3.09Å; E162-Y231 HydrophobicContact CG-CD1 3.97Å; E162-Y231 HydrophobicContact CG-CE1 4.1Å; E162-Y231 VanDerWaalsContact OE1-CE1 3.29Å; E162-Y231 WeakPolarHBondContact OE1-CE1 3.48Å; E162-S234 WeakPolarHBondContact CB-OG 3.28Å |
| 163 | C | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 178.3 | -176 | 0 | 0 | 0 | 0 | 111.6 | F159 F160 T161 A166 F167 | F159-C163 WeakPolarHBondContact O-CB 3.43Å; F159-C163 PolarHBondContact O-N 3Å; F160-C163 PolarHBondContact O-N 3.25Å; T161-C163 VanDerWaalsContact C-N 3.33Å; T161-C163 PolarHBondContact O-N 3.47Å; C163-A166 PolarHBondContact O-N 3.02Å; C163-F167 VanDerWaalsContact O-CB 3.27Å; C163-F167 WeakPolarHBondContact O-CB 3.26Å; C163-F167 PolarHBondContact O-N 3.41Å |
| 164 | A | 98.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 40.6 Ų | 40.6 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F160 T161 F167 I168 | F160-A164 VanDerWaalsContact O-CB 3.3Å; F160-A164 WeakPolarHBondContact O-CB 3.5Å; F160-A164 PolarHBondContact O-N 3.04Å; T161-A164 PolarHBondContact O-N 3.1Å; A164-F167 PolarHBondContact O-N 3.34Å; A164-I168 WeakPolarHBondContact O-CG1 3.47Å; A164-I168 PolarHBondContact O-N 2.96Å; A164-I168 VanDerWaalsContact O-N 3.07Å |
| 165 | C | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 176 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | T161 E162 F167 I168 F169 F195 A205 M207 | T161-C165 WeakPolarHBondContact O-CB 3.29Å; T161-C165 PolarHBondContact O-N 3.01Å; T161-C165 PolarHBondContact O-SG 3.29Å; T161-C165 VanDerWaalsContact O-SG 3.37Å; E162-C165 PolarHBondContact O-N 2.92Å; C165-F167 PolarHBondContact O-N 3.4Å; C165-I168 PolarHBondContact O-N 2.83Å; C165-F169 VanDerWaalsContact O-CB 3.28Å; C165-F169 WeakPolarHBondContact O-CB 3.25Å; C165-F169 PolarHBondContact O-N 3.42Å; C165-F195 HydrophobicContact CB-CD2 4.36Å; C165-A205 HydrophobicContact CB-CB 4.15Å; C165-M207 VanDerWaalsContact C-SD 3.6Å; C165-M207 HydrophobicContact CB-CG 3.81Å; C165-M207 HydrophobicContact CB-SD 3.63Å |
| 166 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E162 C163 I168 F169 H170 M207 | E162-A166 WeakPolarHBondContact O-CB 3.35Å; E162-A166 PolarHBondContact O-N 3.24Å; C163-A166 PolarHBondContact O-N 3.02Å; A166-I168 PolarHBondContact O-N 3.14Å; A166-F169 PolarHBondContact O-N 3.13Å; A166-H170 WeakPolarHBondContact O-CB 3.5Å; A166-H170 PolarHBondContact O-CD2 3.49Å; A166-H170 PolarHBondContact O-N 3.17Å; A166-M207 HydrophobicContact CB-CB 4.3Å; A166-M207 HydrophobicContact CB-CG 4.2Å |
| 167 | F | 98.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -51 | 176.2 | 168.7 | -103.3 | 0 | 0 | 0 | 112 | C163 A164 C165 L171 G238 L241 A242 L245 | C163-F167 VanDerWaalsContact O-CB 3.27Å; C163-F167 WeakPolarHBondContact O-CB 3.26Å; C163-F167 PolarHBondContact O-N 3.41Å; A164-F167 PolarHBondContact O-N 3.34Å; C165-F167 PolarHBondContact O-N 3.4Å; F167-L171 HydrophobicContact CZ-CD2 4.3Å; F167-L171 VanDerWaalsContact O-CB 3.3Å; F167-L171 WeakPolarHBondContact O-CB 3.37Å; F167-L171 PolarHBondContact O-N 3.05Å; F167-G238 WeakPolarHBondContact CA-O 3.37Å; F167-L241 HydrophobicContact CD2-CB 3.68Å; F167-L241 HydrophobicContact CE2-CB 4.09Å; F167-A242 HydrophobicContact CD2-CB 3.9Å; F167-A242 HydrophobicContact CE2-CB 4.3Å; F167-A242 WeakPolarHBondContact O-CB 3.5Å; F167-L245 HydrophobicContact CE2-CB 4.43Å; F167-L245 HydrophobicContact CE2-CD2 4.04Å; F167-L245 HydrophobicContact CZ-CD2 3.57Å |
| 168 | I | 98.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -44.2 | -180 | -61 | 165.7 | 0 | 0 | 0 | 110.5 | A164 C165 A166 L171 I172 F195 | A164-I168 WeakPolarHBondContact O-CG1 3.47Å; A164-I168 PolarHBondContact O-N 2.96Å; A164-I168 VanDerWaalsContact O-N 3.07Å; C165-I168 PolarHBondContact O-N 2.83Å; A166-I168 PolarHBondContact O-N 3.14Å; I168-L171 PolarHBondContact O-N 3.1Å; I168-I172 HydrophobicContact CG2-CD1 3.68Å; I168-I172 HydrophobicContact CG2-CG1 4.34Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 3.34Å; I168-F195 HydrophobicContact CB-CE2 4.34Å; I168-F195 HydrophobicContact CB-CZ 3.87Å; I168-F195 HydrophobicContact CD1-CZ 4.33Å; I168-F195 HydrophobicContact CG2-CE2 4.34Å; I168-F195 HydrophobicContact CG2-CZ 3.68Å |
| 169 | F | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -53.4 | 177.5 | 167.1 | -110.9 | 0 | 0 | 0 | 112.2 | L92 C165 A166 L171 I172 Q173 I188 L191 L192 F195 M207 | L92-F169 HydrophobicContact CD1-CE1 4.29Å; L92-F169 HydrophobicContact CD1-CZ 4.15Å; L92-F169 HydrophobicContact CD2-CE1 4.21Å; L92-F169 HydrophobicContact CG-CE1 4.43Å; C165-F169 VanDerWaalsContact O-CB 3.28Å; C165-F169 WeakPolarHBondContact O-CB 3.25Å; C165-F169 PolarHBondContact O-N 3.42Å; A166-F169 PolarHBondContact O-N 3.13Å; F169-L171 VanDerWaalsContact C-N 3.34Å; F169-L171 PolarHBondContact O-N 3.4Å; F169-I172 PolarHBondContact O-N 3.1Å; F169-Q173 WeakPolarHBondContact O-CB 3.16Å; F169-Q173 PolarHBondContact O-N 3.35Å; F169-I188 HydrophobicContact CE2-CD1 4.19Å; F169-I188 HydrophobicContact CE2-CG2 3.92Å; F169-L191 HydrophobicContact CD2-CD2 4.19Å; F169-L192 HydrophobicContact CD2-CD2 3.62Å; F169-L192 HydrophobicContact CD2-CG 4.23Å; F169-L192 HydrophobicContact CE2-CD1 4.15Å; F169-L192 HydrophobicContact CE2-CD2 3.71Å; F169-L192 HydrophobicContact CE2-CG 4.05Å; F169-L192 HydrophobicContact CG-CD2 4.23Å; F169-L192 HydrophobicContact CZ-CD2 4.37Å; F169-F195 HydrophobicContact CB-CE2 4.29Å; F169-M207 HydrophobicContact CB-SD 3.9Å; F169-M207 HydrophobicContact CG-SD 4.38Å |
| 170 | H | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | -179.3 | -77 | -75.6 | 0 | 0 | 0 | 111.8 | L92 Q95 A166 Q173 L174 A242 | L92-H170 WeakPolarHBondContact CD2-CE1 3.49Å; L92-H170 WeakPolarHBondContact CD2-ND1 3.22Å; Q95-H170 PolarHBondContact OE1-ND1 2.98Å; A166-H170 WeakPolarHBondContact O-CB 3.5Å; A166-H170 PolarHBondContact O-CD2 3.49Å; A166-H170 PolarHBondContact O-N 3.17Å; H170-Q173 PolarHBondContact O-N 2.93Å; H170-L174 WeakPolarHBondContact O-CB 3.45Å; H170-L174 WeakPolarHBondContact O-CD1 3.46Å; H170-L174 WeakPolarHBondContact O-CG 3.47Å; H170-L174 PolarHBondContact O-N 2.83Å; H170-A242 HydrophobicContact CB-CB 3.65Å |
| 171 | L | 96.8 | Very high | 95.7 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.9 | -174.7 | 62.6 | 0 | 0 | 0 | 111.6 | F167 I168 F169 Q173 L174 N175 A242 L245 Y246 | F167-L171 HydrophobicContact CZ-CD2 4.3Å; F167-L171 VanDerWaalsContact O-CB 3.3Å; F167-L171 WeakPolarHBondContact O-CB 3.37Å; F167-L171 PolarHBondContact O-N 3.05Å; I168-L171 PolarHBondContact O-N 3.1Å; F169-L171 VanDerWaalsContact C-N 3.34Å; F169-L171 PolarHBondContact O-N 3.4Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 2.85Å; L171-L174 PolarHBondContact O-N 3.12Å; L171-N175 PolarHBondContact O-N 2.83Å; L171-N175 PolarHBondContact O-ND2 3.27Å; L171-A242 HydrophobicContact CB-CB 4.25Å; L171-L245 HydrophobicContact CD2-CD2 4.14Å; L171-Y246 HydrophobicContact CD1-CD2 4.29Å |
| 172 | I | 96.6 | Very high | 95.5 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.7 | -70.3 | 171.2 | 0 | 0 | 0 | 110.2 | I168 F169 L174 N175 L176 I188 L191 | I168-I172 HydrophobicContact CG2-CD1 3.68Å; I168-I172 HydrophobicContact CG2-CG1 4.34Å; I168-I172 WeakPolarHBondContact O-CG1 3.21Å; I168-I172 PolarHBondContact O-N 3.34Å; F169-I172 PolarHBondContact O-N 3.1Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 3.05Å; I172-N175 PolarHBondContact O-N 3.11Å; I172-L176 HydrophobicContact CG2-CD1 3.64Å; I172-L176 HydrophobicContact CG2-CG 4.1Å; I172-L176 WeakPolarHBondContact O-CB 3.35Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 3.43Å; I172-I188 HydrophobicContact CG2-CD1 4.24Å; I172-L191 HydrophobicContact CB-CD2 4.07Å; I172-L191 HydrophobicContact CD1-CD1 3.8Å; I172-L191 HydrophobicContact CD1-CD2 3.57Å; I172-L191 HydrophobicContact CD1-CG 4.34Å; I172-L191 HydrophobicContact CG1-CD2 4.4Å; I172-L191 HydrophobicContact CG2-CD2 4.04Å |
| 173 | Q | 94.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 23% | 0.229 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 178.2 | -172.5 | 175.2 | 6.7 | 0 | 0 | 113 | F169 H170 L171 L176 R177 I188 | F169-Q173 WeakPolarHBondContact O-CB 3.16Å; F169-Q173 PolarHBondContact O-N 3.35Å; H170-Q173 PolarHBondContact O-N 2.93Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 2.85Å; Q173-L176 PolarHBondContact O-N 2.88Å; Q173-R177 PolarHBondContact O-N 2.99Å; Q173-I188 HydrophobicContact CB-CD1 4.27Å |
| 174 | L | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 173 | -73.7 | 162.9 | 0 | 0 | 0 | 111.2 | H170 L171 I172 L176 R177 A242 L243 Y246 | H170-L174 WeakPolarHBondContact O-CB 3.45Å; H170-L174 WeakPolarHBondContact O-CD1 3.46Å; H170-L174 WeakPolarHBondContact O-CG 3.47Å; H170-L174 PolarHBondContact O-N 2.83Å; L171-L174 PolarHBondContact O-N 3.12Å; I172-L174 VanDerWaalsContact C-N 3.34Å; I172-L174 PolarHBondContact O-N 3.05Å; L174-L176 PolarHBondContact O-N 3.26Å; L174-R177 VanDerWaalsContact CD2-NH2 3.27Å; L174-R177 VanDerWaalsContact O-CB 3.24Å; L174-R177 WeakPolarHBondContact O-CB 3.42Å; L174-R177 PolarHBondContact O-N 3.49Å; L174-A242 HydrophobicContact CD1-CB 4.49Å; L174-L243 HydrophobicContact CD1-CD2 3.99Å; L174-L243 HydrophobicContact CD2-CD2 4.09Å; L174-Y246 HydrophobicContact CB-CD1 3.99Å; L174-Y246 HydrophobicContact CB-CD2 3.82Å; L174-Y246 HydrophobicContact CB-CE1 4.15Å; L174-Y246 HydrophobicContact CB-CE2 3.98Å; L174-Y246 HydrophobicContact CB-CG 3.83Å; L174-Y246 HydrophobicContact CD1-CD1 4.22Å; L174-Y246 HydrophobicContact CD1-CG 3.97Å; L174-Y246 HydrophobicContact CD2-CD1 4.08Å; L174-Y246 HydrophobicContact CD2-CE1 4.35Å; L174-Y246 HydrophobicContact CG-CD1 4.33Å; L174-Y246 HydrophobicContact CG-CG 4.34Å; L174-Y246 PolarHBondContact O-OH 3.4Å |
| 175 | N | 94.6 | Very high | 95.1 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.3 | -79.3 | -73.1 | 0 | 0 | 0 | 113.3 | L171 I172 R177 | L171-N175 PolarHBondContact O-N 2.83Å; L171-N175 PolarHBondContact O-ND2 3.27Å; I172-N175 PolarHBondContact O-N 3.11Å; N175-R177 VanDerWaalsContact C-N 3.33Å |
| 176 | L | 93.9 | Very high | 95 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -85.1 | -2.3 | 178.9 | -64.5 | 179.9 | 0 | 0 | 0 | 113.6 | I172 Q173 L174 R178 R179 R184 L187 I188 | I172-L176 HydrophobicContact CG2-CD1 3.64Å; I172-L176 HydrophobicContact CG2-CG 4.1Å; I172-L176 WeakPolarHBondContact O-CB 3.35Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 3.43Å; Q173-L176 PolarHBondContact O-N 2.88Å; L174-L176 PolarHBondContact O-N 3.26Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 2.91Å; L176-R178 VanDerWaalsContact O-N 3.17Å; L176-R179 HydrophobicContact CD2-CG 4.05Å; L176-R179 WeakPolarHBondContact O-CB 3.43Å; L176-R179 PolarHBondContact O-N 3.5Å; L176-R184 HydrophobicContact CB-CG 4.05Å; L176-L187 HydrophobicContact CD1-CB 4.01Å; L176-L187 HydrophobicContact CD1-CD1 4.01Å; L176-L187 HydrophobicContact CD2-CD1 4.08Å; L176-I188 HydrophobicContact CD1-CD1 4.29Å; L176-I188 HydrophobicContact CD1-CG1 4.41Å |
| 177 | R | 90.1 | Very high | 95 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 32% | 0.317 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -40.1 | -174.7 | -177.1 | -176.3 | -66.6 | -153.8 | -13.6 | 113.4 | Q99 E101 Q173 L174 N175 | Q99-R177 VanDerWaalsContact CD-NH2 3.34Å; Q99-R177 VanDerWaalsContact NE2-NH2 3.18Å; E101-R177 IonicContact OE1-CZ 3.82Å; E101-R177 IonicContact OE1-NH1 3.6Å; E101-R177 PolarHBondContact OE1-NH1 3.47Å; E101-R177 IonicContact OE1-NH2 3.41Å; Q173-R177 PolarHBondContact O-N 2.99Å; L174-R177 VanDerWaalsContact CD2-NH2 3.27Å; L174-R177 VanDerWaalsContact O-CB 3.24Å; L174-R177 WeakPolarHBondContact O-CB 3.42Å; L174-R177 PolarHBondContact O-N 3.49Å; N175-R177 VanDerWaalsContact C-N 3.33Å |
| 178 | R | 90.1 | Very high | 94.9 | Very high | 229 Ų | 229 | 68.8 Ų | 68.8 | 86% | 0.864 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.8 | -178.4 | -60 | -174 | -172.3 | 179.8 | 2.7 | 113.8 | L176 | L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 2.91Å; L176-R178 VanDerWaalsContact O-N 3.17Å |
| 179 | R | 94.1 | Very high | 94.9 | Very high | 161 Ų | 161 | 65.5 Ų | 65.5 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -82.2 | 156 | 178.3 | -58.2 | -60.4 | -175.7 | 175.3 | 1.7 | 110.2 | L176 | L176-R179 HydrophobicContact CD2-CG 4.05Å; L176-R179 WeakPolarHBondContact O-CB 3.43Å; L176-R179 PolarHBondContact O-N 3.5Å |
| 180 | S | 93.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | trans | -62.9 | 153.6 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | L182 I183 R184 | S180-L182 PolarHBondContact O-N 3.48Å; S180-I183 PolarHBondContact O-N 3.47Å; S180-I183 VanDerWaalsContact O-N 3.11Å; S180-R184 WeakPolarHBondContact O-CB 3.44Å; S180-R184 PolarHBondContact O-N 3.49Å | ||
| 181 | A | 91.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 70.2 Ų | 70.2 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -33.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I183 R184 V185 | A181-I183 PolarHBondContact O-N 3.22Å; A181-R184 PolarHBondContact O-N 2.89Å; A181-V185 HydrophobicContact CB-CG2 4.42Å; A181-V185 VanDerWaalsContact O-CB 3.29Å; A181-V185 WeakPolarHBondContact O-CB 3.28Å; A181-V185 WeakPolarHBondContact O-CG2 3.15Å; A181-V185 PolarHBondContact O-N 2.81Å |
| 182 | L | 93.5 | Very high | 94.9 | Very high | 154 Ų | 154 | 69.7 Ų | 69.7 | 81% | 0.806 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -31.1 | 177.2 | -64.3 | 176.6 | 0 | 0 | 0 | 113.4 | S180 P186 | S180-L182 PolarHBondContact O-N 3.48Å; L182-P186 WeakPolarHBondContact O-CD 3.42Å; L182-P186 WeakPolarHBondContact O-CG 3.49Å |
| 183 | I | 93.9 | Very high | 95 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -94.1 | -45.9 | 177.1 | -63.3 | 171.7 | 0 | 0 | 0 | 109.9 | S180 A181 V185 L187 | S180-I183 PolarHBondContact O-N 3.47Å; S180-I183 VanDerWaalsContact O-N 3.11Å; A181-I183 PolarHBondContact O-N 3.22Å; I183-V185 PolarHBondContact O-N 2.97Å; I183-L187 HydrophobicContact CG2-CD1 3.62Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 2.89Å; I183-L187 VanDerWaalsContact O-CG 3.26Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.35Å |
| 184 | R | 95.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | -173.6 | -175.4 | 179.9 | 71.7 | -166.1 | 2.4 | 112.3 | L176 S180 A181 I188 | L176-R184 HydrophobicContact CB-CG 4.05Å; S180-R184 WeakPolarHBondContact O-CB 3.44Å; S180-R184 PolarHBondContact O-N 3.49Å; A181-R184 PolarHBondContact O-N 2.89Å; R184-I188 HydrophobicContact CG-CG1 4.32Å; R184-I188 WeakPolarHBondContact O-CB 3.3Å; R184-I188 WeakPolarHBondContact O-CG1 3.27Å; R184-I188 PolarHBondContact O-N 3.47Å |
| 185 | V | 96 | Very high | 95.3 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -51.2 | -172.9 | 170 | 0 | 0 | 0 | 0 | 111.8 | L77 V81 A181 I183 L187 I188 A189 | L77-V185 HydrophobicContact CD1-CG1 3.98Å; V81-V185 HydrophobicContact CG2-CG1 3.88Å; A181-V185 HydrophobicContact CB-CG2 4.42Å; A181-V185 VanDerWaalsContact O-CB 3.29Å; A181-V185 WeakPolarHBondContact O-CB 3.28Å; A181-V185 WeakPolarHBondContact O-CG2 3.15Å; A181-V185 PolarHBondContact O-N 2.81Å; I183-V185 PolarHBondContact O-N 2.97Å; V185-L187 PolarHBondContact O-N 3.23Å; V185-I188 PolarHBondContact O-N 3.39Å; V185-A189 WeakPolarHBondContact O-CB 3.41Å; V185-A189 PolarHBondContact O-N 3.09Å |
| 186 | P | 97 | Very high | 95.3 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.6 | -23.8 | 35.2 | 0 | 0 | 0 | 113.1 | L77 L182 I188 A189 V190 | L77-P186 HydrophobicContact CD1-CB 4.24Å; L77-P186 HydrophobicContact CD1-CG 4.06Å; L182-P186 WeakPolarHBondContact O-CD 3.42Å; L182-P186 WeakPolarHBondContact O-CG 3.49Å; P186-I188 PolarHBondContact O-N 2.91Å; P186-A189 PolarHBondContact O-N 2.9Å; P186-V190 WeakPolarHBondContact O-CG2 3.44Å; P186-V190 PolarHBondContact O-N 3.14Å |
| 187 | L | 97.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 70 Ų | 70 | 45% | 0.45 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 179.3 | -73.4 | 179 | 0 | 0 | 0 | 112.4 | L176 I183 V185 L191 | L176-L187 HydrophobicContact CD1-CB 4.01Å; L176-L187 HydrophobicContact CD1-CD1 4.01Å; L176-L187 HydrophobicContact CD2-CD1 4.08Å; I183-L187 HydrophobicContact CG2-CD1 3.62Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 2.89Å; I183-L187 VanDerWaalsContact O-CG 3.26Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.35Å; V185-L187 PolarHBondContact O-N 3.23Å; L187-L191 VanDerWaalsContact O-CB 3.32Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.22Å |
| 188 | I | 96.8 | Very high | 95.6 | Very high | 26 Ų | 26 | 70 Ų | 70 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 176.3 | -68.6 | -66 | 0 | 0 | 0 | 110.9 | F169 I172 Q173 L176 R184 V185 P186 L191 L192 | F169-I188 HydrophobicContact CE2-CD1 4.19Å; F169-I188 HydrophobicContact CE2-CG2 3.92Å; I172-I188 HydrophobicContact CG2-CD1 4.24Å; Q173-I188 HydrophobicContact CB-CD1 4.27Å; L176-I188 HydrophobicContact CD1-CD1 4.29Å; L176-I188 HydrophobicContact CD1-CG1 4.41Å; R184-I188 HydrophobicContact CG-CG1 4.32Å; R184-I188 WeakPolarHBondContact O-CB 3.3Å; R184-I188 WeakPolarHBondContact O-CG1 3.27Å; R184-I188 PolarHBondContact O-N 3.47Å; V185-I188 PolarHBondContact O-N 3.39Å; P186-I188 PolarHBondContact O-N 2.91Å; I188-L191 PolarHBondContact O-N 3.34Å; I188-L192 HydrophobicContact CG2-CD1 3.86Å; I188-L192 HydrophobicContact CG2-CG 4.25Å; I188-L192 WeakPolarHBondContact O-CB 3.44Å; I188-L192 WeakPolarHBondContact O-CG 3.34Å; I188-L192 PolarHBondContact O-N 3.49Å |
| 189 | A | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F73 L76 L77 V185 P186 T193 | F73-A189 HydrophobicContact CD2-CB 4.05Å; F73-A189 HydrophobicContact CE2-CB 3.86Å; L76-A189 HydrophobicContact CB-CB 3.98Å; L77-A189 HydrophobicContact CB-CB 4.14Å; L77-A189 HydrophobicContact CD1-CB 4.45Å; V185-A189 WeakPolarHBondContact O-CB 3.41Å; V185-A189 PolarHBondContact O-N 3.09Å; P186-A189 PolarHBondContact O-N 2.9Å; A189-T193 WeakPolarHBondContact O-CB 3.48Å; A189-T193 PolarHBondContact O-N 3.41Å; A189-T193 PolarHBondContact O-OG1 3.45Å |
| 190 | V | 98 | Very high | 95.7 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | F73 P186 L192 T193 F194 | F73-V190 HydrophobicContact CD2-CG2 4.18Å; F73-V190 HydrophobicContact CE2-CG2 3.58Å; F73-V190 HydrophobicContact CZ-CG2 4.36Å; P186-V190 WeakPolarHBondContact O-CG2 3.44Å; P186-V190 PolarHBondContact O-N 3.14Å; V190-L192 PolarHBondContact O-N 2.85Å; V190-T193 PolarHBondContact O-N 3.37Å; V190-F194 VanDerWaalsContact O-CB 3.28Å; V190-F194 WeakPolarHBondContact O-CB 3.44Å; V190-F194 PolarHBondContact O-N 3.45Å |
| 191 | L | 97.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | -179.1 | 179.5 | 69.3 | 0 | 0 | 0 | 112.3 | F169 I172 L187 I188 F194 F195 | F169-L191 HydrophobicContact CD2-CD2 4.19Å; I172-L191 HydrophobicContact CB-CD2 4.07Å; I172-L191 HydrophobicContact CD1-CD1 3.8Å; I172-L191 HydrophobicContact CD1-CD2 3.57Å; I172-L191 HydrophobicContact CD1-CG 4.34Å; I172-L191 HydrophobicContact CG1-CD2 4.4Å; I172-L191 HydrophobicContact CG2-CD2 4.04Å; L187-L191 VanDerWaalsContact O-CB 3.32Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 3.22Å; I188-L191 PolarHBondContact O-N 3.34Å; L191-F194 PolarHBondContact O-N 2.83Å; L191-F195 HydrophobicContact CD1-CD2 4.25Å; L191-F195 HydrophobicContact CD1-CE1 4.09Å; L191-F195 HydrophobicContact CD1-CE2 3.64Å; L191-F195 HydrophobicContact CD1-CZ 3.54Å; L191-F195 HydrophobicContact CD2-CE2 4.19Å; L191-F195 HydrophobicContact CG-CD2 4.11Å; L191-F195 HydrophobicContact CG-CE2 3.75Å; L191-F195 HydrophobicContact CG-CZ 4.19Å; L191-F195 WeakPolarHBondContact O-CG 3.38Å; L191-F195 PolarHBondContact O-N 3.38Å |
| 192 | L | 97.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 58 Ų | 58 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 179.2 | -71.7 | 177.1 | 0 | 0 | 0 | 111.1 | L76 F169 I188 V190 F194 F195 S196 M207 | L76-L192 HydrophobicContact CD1-CB 3.64Å; L76-L192 HydrophobicContact CD2-CB 4.45Å; L76-L192 HydrophobicContact CD2-CD1 4.02Å; F169-L192 HydrophobicContact CD2-CD2 3.62Å; F169-L192 HydrophobicContact CD2-CG 4.23Å; F169-L192 HydrophobicContact CE2-CD1 4.15Å; F169-L192 HydrophobicContact CE2-CD2 3.71Å; F169-L192 HydrophobicContact CE2-CG 4.05Å; F169-L192 HydrophobicContact CG-CD2 4.23Å; F169-L192 HydrophobicContact CZ-CD2 4.37Å; I188-L192 HydrophobicContact CG2-CD1 3.86Å; I188-L192 HydrophobicContact CG2-CG 4.25Å; I188-L192 WeakPolarHBondContact O-CB 3.44Å; I188-L192 WeakPolarHBondContact O-CG 3.34Å; I188-L192 PolarHBondContact O-N 3.49Å; V190-L192 PolarHBondContact O-N 2.85Å; L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 PolarHBondContact O-N 2.91Å; L192-F195 PolarHBondContact O-N 2.96Å; L192-S196 PolarHBondContact O-N 3Å; L192-S196 PolarHBondContact O-OG 3.22Å; L192-M207 HydrophobicContact CD2-CE 3.52Å; L192-M207 HydrophobicContact CD2-SD 4.23Å |
| 193 | T | 97.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 175.3 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V69 L72 F73 L76 A189 V190 S196 H197 | V69-T193 HydrophobicContact CG1-CG2 3.81Å; L72-T193 HydrophobicContact CB-CG2 4.46Å; L72-T193 HydrophobicContact CD2-CG2 4.28Å; L72-T193 HydrophobicContact CG-CG2 4.34Å; F73-T193 WeakPolarHBondContact CA-OG1 3.49Å; F73-T193 HydrophobicContact CB-CG2 4.13Å; L76-T193 WeakPolarHBondContact CD1-OG1 2.91Å; A189-T193 WeakPolarHBondContact O-CB 3.48Å; A189-T193 PolarHBondContact O-N 3.41Å; A189-T193 PolarHBondContact O-OG1 3.45Å; V190-T193 PolarHBondContact O-N 3.37Å; T193-S196 PolarHBondContact O-N 2.93Å; T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.33Å |
| 194 | F | 97.3 | Very high | 95.9 | Very high | 117 Ų | 117 | 47.5 Ų | 47.5 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 177.8 | 172.7 | -100.6 | 0 | 0 | 0 | 111.5 | V190 L191 L192 H197 V198 | V190-F194 VanDerWaalsContact O-CB 3.28Å; V190-F194 WeakPolarHBondContact O-CB 3.44Å; V190-F194 PolarHBondContact O-N 3.45Å; L191-F194 PolarHBondContact O-N 2.83Å; L192-F194 VanDerWaalsContact C-N 3.33Å; L192-F194 PolarHBondContact O-N 2.91Å; F194-H197 PolarHBondContact O-N 3.39Å; F194-V198 HydrophobicContact CD2-CG2 4.08Å; F194-V198 HydrophobicContact CE1-CG2 4.26Å; F194-V198 HydrophobicContact CE2-CG2 3.68Å; F194-V198 HydrophobicContact CZ-CG2 3.78Å; F194-V198 WeakPolarHBondContact O-CG2 3.36Å; F194-V198 PolarHBondContact O-N 3.49Å |
| 195 | F | 97.6 | Very high | 96 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.3 | -72.4 | -24.4 | 0 | 0 | 0 | 112.6 | C165 I168 F169 L191 L192 H197 V198 A199 A205 M207 | C165-F195 HydrophobicContact CB-CD2 4.36Å; I168-F195 HydrophobicContact CB-CE2 4.34Å; I168-F195 HydrophobicContact CB-CZ 3.87Å; I168-F195 HydrophobicContact CD1-CZ 4.33Å; I168-F195 HydrophobicContact CG2-CE2 4.34Å; I168-F195 HydrophobicContact CG2-CZ 3.68Å; F169-F195 HydrophobicContact CB-CE2 4.29Å; L191-F195 HydrophobicContact CD1-CD2 4.25Å; L191-F195 HydrophobicContact CD1-CE1 4.09Å; L191-F195 HydrophobicContact CD1-CE2 3.64Å; L191-F195 HydrophobicContact CD1-CZ 3.54Å; L191-F195 HydrophobicContact CD2-CE2 4.19Å; L191-F195 HydrophobicContact CG-CD2 4.11Å; L191-F195 HydrophobicContact CG-CE2 3.75Å; L191-F195 HydrophobicContact CG-CZ 4.19Å; L191-F195 WeakPolarHBondContact O-CG 3.38Å; L191-F195 PolarHBondContact O-N 3.38Å; L192-F195 PolarHBondContact O-N 2.96Å; F195-H197 VanDerWaalsContact C-N 3.25Å; F195-H197 PolarHBondContact O-N 2.95Å; F195-V198 PolarHBondContact O-N 2.99Å; F195-A199 VanDerWaalsContact O-CB 3.23Å; F195-A199 WeakPolarHBondContact O-CB 3.41Å; F195-A199 PolarHBondContact O-N 3.49Å; F195-A205 HydrophobicContact CB-CB 3.92Å; F195-M207 HydrophobicContact CB-CE 3.87Å; F195-M207 HydrophobicContact CD2-CE 3.87Å; F195-M207 HydrophobicContact CD2-SD 3.62Å; F195-M207 HydrophobicContact CE2-SD 4.24Å; F195-M207 HydrophobicContact CG-CE 4.38Å; F195-M207 HydrophobicContact CG-SD 4.49Å |
| 196 | S | 95.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -29.3 | 178.5 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | W47 L192 T193 R200 S204 A205 | W47-S196 WeakPolarHBondContact CH2-OG 3.29Å; L192-S196 PolarHBondContact O-N 3Å; L192-S196 PolarHBondContact O-OG 3.22Å; T193-S196 PolarHBondContact O-N 2.93Å; S196-R200 PolarHBondContact O-N 3.19Å; S196-S204 VanDerWaalsContact CA-O 3.31Å; S196-S204 WeakPolarHBondContact CA-O 3.45Å; S196-S204 WeakPolarHBondContact CB-O 3.42Å; S196-S204 PolarHBondContact OG-O 3.45Å; S196-A205 PolarHBondContact OG-O 3.34Å |
| 197 | H | 94.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 40.4 Ų | 40.4 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.2 | -50.5 | 173.4 | -177.9 | 69.9 | 0 | 0 | 0 | 111.8 | T193 F194 F195 R200 | T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.33Å; F194-H197 PolarHBondContact O-N 3.39Å; F195-H197 VanDerWaalsContact C-N 3.25Å; F195-H197 PolarHBondContact O-N 2.95Å; H197-R200 WeakPolarHBondContact O-CB 3.03Å; H197-R200 PolarHBondContact O-N 3.46Å |
| 198 | V | 95.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 52% | 0.521 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.8 | -39.1 | -176.5 | 173.4 | 0 | 0 | 0 | 0 | 112 | F194 F195 R200 | F194-V198 HydrophobicContact CD2-CG2 4.08Å; F194-V198 HydrophobicContact CE1-CG2 4.26Å; F194-V198 HydrophobicContact CE2-CG2 3.68Å; F194-V198 HydrophobicContact CZ-CG2 3.78Å; F194-V198 WeakPolarHBondContact O-CG2 3.36Å; F194-V198 PolarHBondContact O-N 3.49Å; F195-V198 PolarHBondContact O-N 2.99Å; V198-R200 VanDerWaalsContact C-N 3.29Å; V198-R200 PolarHBondContact O-N 3.38Å |
| 199 | A | 95.1 | Very high | 96 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 9.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T161 F195 S201 Y202 T203 S204 A205 | T161-A199 HydrophobicContact CG2-CB 4.22Å; F195-A199 VanDerWaalsContact O-CB 3.23Å; F195-A199 WeakPolarHBondContact O-CB 3.41Å; F195-A199 PolarHBondContact O-N 3.49Å; A199-S201 VanDerWaalsContact C-N 3.28Å; A199-S201 PolarHBondContact O-N 2.94Å; A199-Y202 PolarHBondContact O-N 3.36Å; A199-T203 PolarHBondContact O-N 3.46Å; A199-S204 WeakPolarHBondContact O-CA 3.39Å; A199-S204 PolarHBondContact O-N 3.34Å; A199-A205 HydrophobicContact CB-CB 3.53Å |
| 200 | R | 92.3 | Very high | 96 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 23% | 0.234 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -41 | -176.1 | -175.6 | 177.4 | -67.6 | 163.6 | -4.4 | 113 | S196 H197 V198 Y202 | S196-R200 PolarHBondContact O-N 3.19Å; H197-R200 WeakPolarHBondContact O-CB 3.03Å; H197-R200 PolarHBondContact O-N 3.46Å; V198-R200 VanDerWaalsContact C-N 3.29Å; V198-R200 PolarHBondContact O-N 3.38Å; R200-Y202 PolarHBondContact O-N 3.44Å |
| 201 | S | 92.7 | Very high | 96 | Very high | 78 Ų | 78 | 32 Ų | 32 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | Q152 A199 | Q152-S201 WeakPolarHBondContact CB-O 3.47Å; A199-S201 VanDerWaalsContact C-N 3.28Å; A199-S201 PolarHBondContact O-N 2.94Å |
| 202 | Y | 95.6 | Very high | 95.9 | Very high | 108 Ų | 108 | 30.7 Ų | 30.7 | 42% | 0.424 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -76.4 | 177.9 | -74.1 | -107.1 | 0 | 0 | 0 | 110.4 | Q152 V153 A199 R200 | Q152-Y202 PolarHBondContact N-O 2.94Å; V153-Y202 HydrophobicContact CB-CD1 4.47Å; V153-Y202 HydrophobicContact CG1-CD1 3.72Å; V153-Y202 HydrophobicContact CG1-CE1 4.19Å; V153-Y202 HydrophobicContact CG1-CG 4.11Å; V153-Y202 HydrophobicContact CG2-CD1 4.15Å; A199-Y202 PolarHBondContact O-N 3.36Å; R200-Y202 PolarHBondContact O-N 3.44Å |
| 203 | T | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -6.5 | -175 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | S150 L151 G158 T161 E162 A199 A205 V230 Y231 | S150-T203 CarbonylContact O-C 3.33Å; S150-T203 WeakPolarHBondContact O-CA 3.31Å; L151-T203 HydrophobicContact CD1-CG2 3.86Å; G158-T203 VanDerWaalsContact CA-CG2 3.41Å; T161-T203 HydrophobicContact CG2-CG2 4.39Å; E162-T203 HydrophobicContact CG-CG2 4.03Å; E162-T203 WeakPolarHBondContact CG-OG1 3.37Å; E162-T203 VanDerWaalsContact OE1-CB 3.22Å; E162-T203 WeakPolarHBondContact OE1-CB 3.49Å; E162-T203 PolarHBondContact OE1-OG1 3.02Å; A199-T203 PolarHBondContact O-N 3.46Å; T203-A205 PolarHBondContact O-N 2.84Å; T203-A205 PolarHBondContact OG1-N 2.94Å; T203-A205 VanDerWaalsContact OG1-N 3.13Å; T203-V230 HydrophobicContact CG2-CG1 4.31Å; T203-Y231 WeakPolarHBondContact O-CE1 3.45Å; T203-Y231 PolarHBondContact O-OH 3.35Å |
| 204 | S | 93.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 31 Ų | 31 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | trans | 65.4 | 9.7 | -165.2 | -58.8 | 0 | 0 | 0 | 0 | 115.8 | S196 A199 F206 | S196-S204 VanDerWaalsContact CA-O 3.31Å; S196-S204 WeakPolarHBondContact CA-O 3.45Å; S196-S204 WeakPolarHBondContact CB-O 3.42Å; S196-S204 PolarHBondContact OG-O 3.45Å; A199-S204 WeakPolarHBondContact O-CA 3.39Å; A199-S204 PolarHBondContact O-N 3.34Å; S204-F206 PolarHBondContact O-N 3.26Å | ||
| 205 | A | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 41.7 | 70.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E162 C165 F195 S196 A199 T203 M207 | E162-A205 WeakPolarHBondContact OE1-CA 3.49Å; E162-A205 PolarHBondContact OE1-N 3.41Å; C165-A205 HydrophobicContact CB-CB 4.15Å; F195-A205 HydrophobicContact CB-CB 3.92Å; S196-A205 PolarHBondContact OG-O 3.34Å; A199-A205 HydrophobicContact CB-CB 3.53Å; T203-A205 PolarHBondContact O-N 2.84Å; T203-A205 PolarHBondContact OG1-N 2.94Å; T203-A205 VanDerWaalsContact OG1-N 3.13Å; A205-M207 HydrophobicContact CB-CE 3.95Å; A205-M207 WeakPolarHBondContact O-CE 3.34Å | ||
| 206 | F | 95.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | trans | -76.8 | -37.5 | -179.8 | -65.1 | -42.6 | 0 | 0 | 0 | 111.9 | W47 S150 E162 S204 N208 L211 A212 L215 Y231 | W47-F206 AromaticContact CE2-CE1 3.9Å; W47-F206 HydrophobicContact CH2-CD1 4.39Å; W47-F206 AromaticContact CZ2-CD1 3.86Å; W47-F206 HydrophobicContact CZ2-CD1 3.86Å; W47-F206 AromaticContact CZ2-CE1 3.82Å; W47-F206 HydrophobicContact CZ2-CE1 3.82Å; W47-F206 AromaticContact NE1-CE1 3.79Å; S150-F206 WeakPolarHBondContact OG-CZ 3.37Å; E162-F206 PolarHBondContact OE1-N 3.07Å; E162-F206 PolarHBondContact OE2-N 2.78Å; S204-F206 PolarHBondContact O-N 3.26Å; F206-N208 WeakPolarHBondContact O-CB 3.46Å; F206-N208 PolarHBondContact O-N 2.67Å; F206-L211 HydrophobicContact CB-CD2 4.4Å; F206-L211 HydrophobicContact CD1-CD2 4.21Å; F206-L211 HydrophobicContact CD1-CG 4.46Å; F206-A212 HydrophobicContact CB-CB 4.23Å; F206-A212 HydrophobicContact CD2-CB 3.74Å; F206-A212 HydrophobicContact CG-CB 4.37Å; F206-L215 HydrophobicContact CD1-CD1 3.93Å; F206-L215 HydrophobicContact CE1-CD1 3.38Å; F206-L215 HydrophobicContact CE2-CB 4.25Å; F206-L215 HydrophobicContact CE2-CD1 4.26Å; F206-L215 HydrophobicContact CZ-CB 4.05Å; F206-L215 HydrophobicContact CZ-CD1 3.57Å; F206-L215 HydrophobicContact CZ-CG 4.49Å; F206-Y231 HydrophobicContact CB-CD1 4.43Å; F206-Y231 AromaticContact CD2-CD1 3.8Å; F206-Y231 HydrophobicContact CD2-CD1 3.8Å; F206-Y231 AromaticContact CD2-CE1 3.36Å; F206-Y231 HydrophobicContact CD2-CE1 3.36Å; F206-Y231 AromaticContact CE2-CE1 3.92Å; F206-Y231 HydrophobicContact CE2-CE1 3.92Å; F206-Y231 HydrophobicContact CG-CE1 4.29Å | ||
| 207 | M | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | 50.1 | 20.6 | -179.7 | -53.3 | 158.4 | -82.2 | 0 | 0 | 113.6 | N89 E162 C165 A166 F169 L192 F195 A205 S235 | N89-M207 PolarHBondContact ND2-O 3.34Å; E162-M207 PolarHBondContact OE2-N 3.04Å; C165-M207 VanDerWaalsContact C-SD 3.6Å; C165-M207 HydrophobicContact CB-CG 3.81Å; C165-M207 HydrophobicContact CB-SD 3.63Å; A166-M207 HydrophobicContact CB-CB 4.3Å; A166-M207 HydrophobicContact CB-CG 4.2Å; F169-M207 HydrophobicContact CB-SD 3.9Å; F169-M207 HydrophobicContact CG-SD 4.38Å; L192-M207 HydrophobicContact CD2-CE 3.52Å; L192-M207 HydrophobicContact CD2-SD 4.23Å; F195-M207 HydrophobicContact CB-CE 3.87Å; F195-M207 HydrophobicContact CD2-CE 3.87Å; F195-M207 HydrophobicContact CD2-SD 3.62Å; F195-M207 HydrophobicContact CE2-SD 4.24Å; F195-M207 HydrophobicContact CG-CE 4.38Å; F195-M207 HydrophobicContact CG-SD 4.49Å; A205-M207 HydrophobicContact CB-CE 3.95Å; A205-M207 WeakPolarHBondContact O-CE 3.34Å; M207-S235 PolarHBondContact O-OG 3.49Å | ||
| 208 | N | 97.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | trans | -144.8 | 106.4 | -174.2 | 177.6 | -18.5 | 0 | 0 | 0 | 108 | G88 N89 P90 F206 S210 L211 A212 | G88-N208 PolarHBondContact O-ND2 3.44Å; G88-N208 PolarHBondContact O-OD1 3.22Å; N89-N208 HydrophobicContact CB-CB 4.3Å; N89-N208 WeakPolarHBondContact CB-ND2 3.24Å; P90-N208 VanDerWaalsContact CD-OD1 3.28Å; P90-N208 WeakPolarHBondContact CD-OD1 3.08Å; F206-N208 WeakPolarHBondContact O-CB 3.46Å; F206-N208 PolarHBondContact O-N 2.67Å; N208-S210 VanDerWaalsContact C-N 3.31Å; N208-S210 PolarHBondContact O-N 2.84Å; N208-S210 PolarHBondContact OD1-N 3.43Å; N208-S210 PolarHBondContact OD1-OG 3.07Å; N208-L211 HydrophobicContact CB-CB 3.73Å; N208-L211 HydrophobicContact CB-CD2 4.32Å; N208-L211 VanDerWaalsContact CG-CB 3.5Å; N208-L211 PolarHBondContact O-N 2.92Å; N208-L211 PolarHBondContact OD1-N 3.45Å; N208-L211 VanDerWaalsContact OD1-N 3.16Å; N208-A212 PolarHBondContact O-N 3.26Å | ||
| 209 | P | 98.1 | Very high | 95 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.032 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -38.7 | -177.8 | -31.1 | 37.5 | 0 | 0 | 0 | 114.8 | P90 S91 F115 Y213 W232 | P90-P209 HydrophobicContact CB-CB 4.2Å; P90-P209 HydrophobicContact CB-CG 4.21Å; P90-P209 HydrophobicContact CG-CB 4.08Å; S91-P209 VanDerWaalsContact OG-CD 3.26Å; S91-P209 WeakPolarHBondContact OG-CD 3.45Å; S91-P209 WeakPolarHBondContact OG-CG 3.33Å; F115-P209 HydrophobicContact CZ-CB 4.19Å; P209-Y213 WeakPolarHBondContact O-CB 3.41Å; P209-Y213 PolarHBondContact O-N 3.43Å; P209-W232 HydrophobicContact CB-CB 4.4Å; P209-W232 VanDerWaalsContact CB-CD1 3.45Å; P209-W232 HydrophobicContact CB-CG 3.93Å; P209-W232 PolarHBondContact O-NE1 2.94Å |
| 210 | S | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.4 | -37.9 | -179.4 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | S40 G88 P90 A118 N208 Y213 G214 | S40-S210 PolarHBondContact OG-OG 2.05Å; G88-S210 PolarHBondContact O-OG 3.12Å; P90-S210 WeakPolarHBondContact CD-OG 3.36Å; A118-S210 VanDerWaalsContact CB-O 3.3Å; A118-S210 WeakPolarHBondContact CB-O 3.41Å; N208-S210 VanDerWaalsContact C-N 3.31Å; N208-S210 PolarHBondContact O-N 2.84Å; N208-S210 PolarHBondContact OD1-N 3.43Å; N208-S210 PolarHBondContact OD1-OG 3.07Å; S210-Y213 WeakPolarHBondContact O-CB 3.46Å; S210-Y213 PolarHBondContact O-N 3.21Å; S210-G214 PolarHBondContact O-N 2.94Å; S210-G214 VanDerWaalsContact O-N 3.13Å |
| 211 | L | 97.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -48.9 | 174.8 | -179.4 | 63.3 | 0 | 0 | 0 | 110.5 | L43 V44 W47 F206 N208 Y213 G214 L215 | L43-L211 HydrophobicContact CB-CD1 4.37Å; V44-L211 HydrophobicContact CG2-CD1 3.84Å; W47-L211 HydrophobicContact CB-CD1 4.18Å; W47-L211 HydrophobicContact CD2-CD1 4.25Å; W47-L211 HydrophobicContact CD2-CD2 4.22Å; W47-L211 HydrophobicContact CE3-CD1 4.15Å; W47-L211 HydrophobicContact CE3-CD2 3.7Å; W47-L211 HydrophobicContact CE3-CG 4.5Å; W47-L211 HydrophobicContact CG-CD1 4.29Å; W47-L211 HydrophobicContact CH2-CD2 4.14Å; W47-L211 HydrophobicContact CZ3-CD2 3.65Å; F206-L211 HydrophobicContact CB-CD2 4.4Å; F206-L211 HydrophobicContact CD1-CD2 4.21Å; F206-L211 HydrophobicContact CD1-CG 4.46Å; N208-L211 HydrophobicContact CB-CB 3.73Å; N208-L211 HydrophobicContact CB-CD2 4.32Å; N208-L211 VanDerWaalsContact CG-CB 3.5Å; N208-L211 PolarHBondContact O-N 2.92Å; N208-L211 PolarHBondContact OD1-N 3.45Å; N208-L211 VanDerWaalsContact OD1-N 3.16Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.43Å; L211-G214 PolarHBondContact O-N 3.31Å; L211-G214 VanDerWaalsContact O-N 3.14Å; L211-L215 HydrophobicContact CD1-CD1 3.64Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 3.75Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.3Å; L211-L215 PolarHBondContact O-N 2.93Å |
| 212 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F206 N208 G214 L215 T216 F217 Y231 | F206-A212 HydrophobicContact CB-CB 4.23Å; F206-A212 HydrophobicContact CD2-CB 3.74Å; F206-A212 HydrophobicContact CG-CB 4.37Å; N208-A212 PolarHBondContact O-N 3.26Å; A212-G214 PolarHBondContact O-N 2.89Å; A212-L215 PolarHBondContact O-N 3.13Å; A212-T216 WeakPolarHBondContact O-CG2 3.4Å; A212-T216 PolarHBondContact O-N 2.84Å; A212-F217 HydrophobicContact CB-CE2 4.21Å; A212-F217 WeakPolarHBondContact O-CD2 3.19Å; A212-Y231 HydrophobicContact CB-CD1 3.68Å; A212-Y231 HydrophobicContact CB-CD2 4.36Å; A212-Y231 HydrophobicContact CB-CE1 4.44Å; A212-Y231 HydrophobicContact CB-CG 3.61Å |
| 213 | Y | 97.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 16% | 0.161 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56 | -47.3 | 175.1 | 167 | -99.2 | 0 | 0 | 0 | 112.9 | F115 A118 H119 P209 S210 L211 L215 F217 H218 W232 | F115-Y213 AromaticContact CD1-CD1 3.82Å; F115-Y213 HydrophobicContact CD1-CD1 3.82Å; F115-Y213 HydrophobicContact CD1-CE1 4.48Å; F115-Y213 AromaticContact CD1-CG 3.88Å; F115-Y213 HydrophobicContact CD1-CG 3.88Å; F115-Y213 HydrophobicContact CE1-CD1 4.4Å; F115-Y213 HydrophobicContact CE1-CG 4.02Å; A118-Y213 HydrophobicContact CB-CD1 4.3Å; H119-Y213 HydrophobicContact CB-CE1 4.13Å; H119-Y213 AromaticContact ND1-CE1 3.94Å; H119-Y213 AromaticContact ND1-CZ 3.9Å; H119-Y213 PolarHBondContact ND1-OH 3.26Å; P209-Y213 WeakPolarHBondContact O-CB 3.41Å; P209-Y213 PolarHBondContact O-N 3.43Å; S210-Y213 WeakPolarHBondContact O-CB 3.46Å; S210-Y213 PolarHBondContact O-N 3.21Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.43Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.91Å; Y213-F217 HydrophobicContact CD2-CB 4.04Å; Y213-F217 HydrophobicContact CD2-CD1 4.23Å; Y213-F217 HydrophobicContact CD2-CG 4.18Å; Y213-H218 AromaticContact CE1-CE1 3.89Å; Y213-H218 AromaticContact CE2-CE1 3.53Å; Y213-H218 AromaticContact CE2-NE2 3.99Å; Y213-H218 AromaticContact CZ-CE1 3.38Å; Y213-H218 AromaticContact CZ-NE2 3.78Å; Y213-H218 PolarHBondContact O-ND1 2.67Å; Y213-H218 PolarHBondContact OH-CE1 2.94Å; Y213-H218 PolarHBondContact OH-NE2 2.85Å; Y213-W232 HydrophobicContact CD2-CZ2 4.39Å |
| 214 | G | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S210 L211 A212 | S210-G214 PolarHBondContact O-N 2.94Å; S210-G214 VanDerWaalsContact O-N 3.13Å; L211-G214 PolarHBondContact O-N 3.31Å; L211-G214 VanDerWaalsContact O-N 3.14Å; A212-G214 PolarHBondContact O-N 2.89Å |
| 215 | L | 94.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -90.9 | -32.9 | -171.2 | -62.8 | -179.8 | 0 | 0 | 0 | 115.2 | W47 L48 F206 L211 A212 Y213 | W47-L215 HydrophobicContact CB-CD1 4.29Å; W47-L215 HydrophobicContact CB-CD2 4.18Å; W47-L215 HydrophobicContact CD2-CD1 4.06Å; W47-L215 HydrophobicContact CG-CD1 3.65Å; W47-L215 HydrophobicContact CG-CD2 4.24Å; L48-L215 HydrophobicContact CB-CD2 4.48Å; L48-L215 HydrophobicContact CD2-CD2 3.38Å; L48-L215 HydrophobicContact CG-CD2 3.49Å; L48-L215 VanDerWaalsContact CG-CD2 3.49Å; F206-L215 HydrophobicContact CD1-CD1 3.93Å; F206-L215 HydrophobicContact CE1-CD1 3.38Å; F206-L215 HydrophobicContact CE2-CB 4.25Å; F206-L215 HydrophobicContact CE2-CD1 4.26Å; F206-L215 HydrophobicContact CZ-CB 4.05Å; F206-L215 HydrophobicContact CZ-CD1 3.57Å; F206-L215 HydrophobicContact CZ-CG 4.49Å; L211-L215 HydrophobicContact CD1-CD1 3.64Å; L211-L215 HydrophobicContact CD1-CG 4.05Å; L211-L215 HydrophobicContact CG-CD1 3.75Å; L211-L215 HydrophobicContact CG-CG 4.4Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.3Å; L211-L215 PolarHBondContact O-N 2.93Å; A212-L215 PolarHBondContact O-N 3.13Å; Y213-L215 VanDerWaalsContact C-N 3.34Å; Y213-L215 PolarHBondContact O-N 2.91Å |
| 216 | T | 93.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -30.3 | -168.1 | -158.4 | 0 | 0 | 0 | 0 | 115 | T149 S150 A212 H218 C219 Y227 Y231 | T149-T216 PolarHBondContact OG1-OG1 3.23Å; S150-T216 PolarHBondContact N-OG1 2.94Å; S150-T216 VanDerWaalsContact N-OG1 3.13Å; A212-T216 WeakPolarHBondContact O-CG2 3.4Å; A212-T216 PolarHBondContact O-N 2.84Å; T216-H218 PolarHBondContact O-N 2.94Å; T216-H218 VanDerWaalsContact O-N 3.12Å; T216-C219 PolarHBondContact O-N 3.26Å; T216-C219 VanDerWaalsContact O-N 3.07Å; T216-Y227 HydrophobicContact CG2-CD1 4.14Å; T216-Y227 HydrophobicContact CG2-CE1 4.4Å; T216-Y227 HydrophobicContact CG2-CG 4.47Å; T216-Y231 HydrophobicContact CG2-CD2 3.89Å; T216-Y231 HydrophobicContact CG2-CE2 3.57Å |
| 217 | F | 94 | Very high | 94.9 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.7 | -169.2 | -81.8 | -126.9 | 0 | 0 | 0 | 114.1 | A212 Y213 F224 Y227 A228 Y231 W232 | A212-F217 HydrophobicContact CB-CE2 4.21Å; A212-F217 WeakPolarHBondContact O-CD2 3.19Å; Y213-F217 HydrophobicContact CD2-CB 4.04Å; Y213-F217 HydrophobicContact CD2-CD1 4.23Å; Y213-F217 HydrophobicContact CD2-CG 4.18Å; F217-F224 AromaticContact CD1-CD2 3.69Å; F217-F224 HydrophobicContact CD1-CD2 3.69Å; F217-F224 AromaticContact CD1-CE2 3.57Å; F217-F224 HydrophobicContact CD1-CE2 3.57Å; F217-F224 HydrophobicContact CD1-CG 4.31Å; F217-F224 HydrophobicContact CD1-CZ 4.09Å; F217-F224 HydrophobicContact CE1-CD2 4.34Å; F217-F224 HydrophobicContact CE1-CE1 4.47Å; F217-F224 HydrophobicContact CE1-CE2 4.12Å; F217-F224 HydrophobicContact CE1-CZ 4.17Å; F217-Y227 HydrophobicContact CD2-CG 4.28Å; F217-Y227 HydrophobicContact CE2-CG 4.43Å; F217-Y227 HydrophobicContact CG-CD2 4.39Å; F217-Y227 HydrophobicContact CG-CG 4.47Å; F217-Y227 VanDerWaalsContact CZ-CB 3.5Å; F217-Y227 WeakPolarHBondContact CZ-O 3.39Å; F217-A228 HydrophobicContact CE1-CB 4.24Å; F217-A228 HydrophobicContact CZ-CB 4.47Å; F217-Y231 HydrophobicContact CE2-CD2 4.13Å; F217-Y231 HydrophobicContact CE2-CG 4.45Å; F217-W232 HydrophobicContact CD1-CZ2 4.47Å; F217-W232 HydrophobicContact CE1-CD2 4.43Å; F217-W232 AromaticContact CE1-CE2 3.77Å; F217-W232 AromaticContact CE1-CZ2 3.83Å; F217-W232 HydrophobicContact CE1-CZ2 3.83Å; F217-W232 AromaticContact CE1-NE1 3.89Å; F217-W232 AromaticContact CE2-NE1 3.84Å; F217-W232 AromaticContact CZ-CD1 3.71Å; F217-W232 HydrophobicContact CZ-CD2 4.24Å; F217-W232 AromaticContact CZ-CE2 3.64Å; F217-W232 HydrophobicContact CZ-CG 4.31Å; F217-W232 HydrophobicContact CZ-CZ2 4.15Å; F217-W232 AromaticContact CZ-NE1 3.28Å; F217-W232 VanDerWaalsContact CZ-NE1 3.28Å |
| 218 | H | 91.3 | Very high | 95 | Very high | 71 Ų | 71 | 39.2 Ų | 39.2 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -0 | 179.4 | -59.2 | 86 | 0 | 0 | 0 | 112.7 | L122 Y213 T216 | L122-H218 HydrophobicContact CD2-CB 4.46Å; L122-H218 WeakPolarHBondContact CD2-ND1 3.48Å; Y213-H218 AromaticContact CE1-CE1 3.89Å; Y213-H218 AromaticContact CE2-CE1 3.53Å; Y213-H218 AromaticContact CE2-NE2 3.99Å; Y213-H218 AromaticContact CZ-CE1 3.38Å; Y213-H218 AromaticContact CZ-NE2 3.78Å; Y213-H218 PolarHBondContact O-ND1 2.67Å; Y213-H218 PolarHBondContact OH-CE1 2.94Å; Y213-H218 PolarHBondContact OH-NE2 2.85Å; T216-H218 PolarHBondContact O-N 2.94Å; T216-H218 VanDerWaalsContact O-N 3.12Å |
| 219 | C | 89.8 | Confident | 95 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 10% | 0.101 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -96.1 | 145.3 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | C147 T216 | C147-C219 HydrophobicContact CB-CB 4.18Å; C147-C219 WeakPolarHBondContact CB-SG 3.48Å; C147-C219 WeakPolarHBondContact O-CB 3.43Å; C147-C219 WeakPolarHBondContact SG-CA 3.12Å; C147-C219 WeakPolarHBondContact SG-CB 3.22Å; C147-C219 CovalentContact SG-SG 2.05Å; C147-C219 PolarHBondContact SG-SG 2.95Å; T216-C219 PolarHBondContact O-N 3.26Å; T216-C219 VanDerWaalsContact O-N 3.07Å |
| 220 | P | 88 | Confident | 95 | Very high | 87 Ų | 87 | 41.4 Ų | 41.4 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -63.1 | 155.3 | 171.8 | 28.2 | -36.5 | 0 | 0 | 0 | 111.6 | C147 | C147-P220 VanDerWaalsContact O-CD 3.3Å; C147-P220 WeakPolarHBondContact O-CD 3.46Å |
| 221 | G | 88.9 | Confident | 95 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 65% | 0.649 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 141 | -55.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 222 | F | 93.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 26% | 0.263 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -127.6 | 161.9 | 177 | -62.9 | -95.8 | 0 | 0 | 0 | 111 | T149 L151 V155 E226 Y227 | T149-F222 HydrophobicContact CG2-CD2 4.36Å; T149-F222 HydrophobicContact CG2-CE2 4.39Å; L151-F222 HydrophobicContact CB-CD2 4.33Å; L151-F222 HydrophobicContact CB-CE2 4.14Å; L151-F222 HydrophobicContact CD2-CD1 4.29Å; L151-F222 HydrophobicContact CD2-CD2 3.8Å; L151-F222 HydrophobicContact CD2-CE1 4.25Å; L151-F222 HydrophobicContact CD2-CE2 3.75Å; L151-F222 HydrophobicContact CD2-CG 4.07Å; L151-F222 HydrophobicContact CD2-CZ 3.98Å; L151-F222 HydrophobicContact CG-CD2 4.21Å; L151-F222 HydrophobicContact CG-CE2 3.78Å; L151-F222 HydrophobicContact CG-CZ 4.13Å; V155-F222 HydrophobicContact CG2-CD1 3.83Å; V155-F222 HydrophobicContact CG2-CE1 3.81Å; F222-E226 HydrophobicContact CB-CB 4.04Å; F222-E226 HydrophobicContact CD1-CB 4.36Å; F222-Y227 HydrophobicContact CB-CD1 4.17Å; F222-Y227 HydrophobicContact CB-CD2 4.4Å; F222-Y227 HydrophobicContact CB-CE1 3.73Å; F222-Y227 HydrophobicContact CB-CE2 3.98Å; F222-Y227 HydrophobicContact CB-CG 4.47Å; F222-Y227 AromaticContact CD2-CE1 3.84Å; F222-Y227 HydrophobicContact CD2-CE1 3.84Å; F222-Y227 HydrophobicContact CG-CE1 4.14Å; F222-Y227 PolarHBondContact N-OH 3.38Å; F222-Y227 VanDerWaalsContact N-OH 3.15Å; F222-Y227 VanDerWaalsContact O-CE2 3.25Å; F222-Y227 WeakPolarHBondContact O-CE2 3.22Å |
| 223 | T | 95.3 | Very high | 95.1 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | trans | -72.1 | 156.6 | 174.3 | 66 | 0 | 0 | 0 | 0 | 111.2 | K225 E226 Y227 | T223-K225 PolarHBondContact O-N 2.62Å; T223-K225 VanDerWaalsContact O-N 3.13Å; T223-E226 WeakPolarHBondContact CB-OE2 3.29Å; T223-E226 WeakPolarHBondContact CG2-OE2 3.48Å; T223-E226 PolarHBondContact N-OE2 3Å; T223-E226 PolarHBondContact O-N 2.94Å; T223-E226 VanDerWaalsContact OG1-CD 3.3Å; T223-E226 VanDerWaalsContact OG1-CG 3.31Å; T223-E226 WeakPolarHBondContact OG1-CG 3.42Å; T223-E226 PolarHBondContact OG1-N 2.95Å; T223-E226 PolarHBondContact OG1-OE2 3.43Å; T223-Y227 PolarHBondContact O-N 2.91Å; T223-Y227 VanDerWaalsContact O-N 3.09Å | ||
| 224 | F | 95.9 | Very high | 95.1 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 48% | 0.478 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.5 | -38.7 | 174.9 | -175.4 | -83.3 | 0 | 0 | 0 | 112.8 | F217 A228 W232 | F217-F224 AromaticContact CD1-CD2 3.69Å; F217-F224 HydrophobicContact CD1-CD2 3.69Å; F217-F224 AromaticContact CD1-CE2 3.57Å; F217-F224 HydrophobicContact CD1-CE2 3.57Å; F217-F224 HydrophobicContact CD1-CG 4.31Å; F217-F224 HydrophobicContact CD1-CZ 4.09Å; F217-F224 HydrophobicContact CE1-CD2 4.34Å; F217-F224 HydrophobicContact CE1-CE1 4.47Å; F217-F224 HydrophobicContact CE1-CE2 4.12Å; F217-F224 HydrophobicContact CE1-CZ 4.17Å; F224-A228 WeakPolarHBondContact O-CB 3.1Å; F224-A228 PolarHBondContact O-N 2.47Å; F224-W232 HydrophobicContact CE1-CH2 4.3Å; F224-W232 HydrophobicContact CE1-CZ3 4.45Å; F224-W232 AromaticContact CZ-CH2 3.78Å; F224-W232 HydrophobicContact CZ-CH2 3.78Å; F224-W232 HydrophobicContact CZ-CZ2 4.33Å; F224-W232 HydrophobicContact CZ-CZ3 4.36Å |
| 225 | K | 97.1 | Very high | 95.2 | Very high | 167 Ų | 167 | 46.7 Ų | 46.7 | 73% | 0.726 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.4 | -41.6 | -179.8 | -67.1 | -178.5 | -177 | 175.7 | 0 | 111.8 | T223 A228 V229 | T223-K225 PolarHBondContact O-N 2.62Å; T223-K225 VanDerWaalsContact O-N 3.13Å; K225-A228 PolarHBondContact O-N 2.63Å; K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.94Å |
| 226 | E | 97.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.5 | -71.7 | 164.7 | 135.8 | 0 | 0 | 110.9 | V155 F222 T223 A228 V229 V230 | V155-E226 HydrophobicContact CG2-CB 3.97Å; V155-E226 HydrophobicContact CG2-CG 3.97Å; F222-E226 HydrophobicContact CB-CB 4.04Å; F222-E226 HydrophobicContact CD1-CB 4.36Å; T223-E226 WeakPolarHBondContact CB-OE2 3.29Å; T223-E226 WeakPolarHBondContact CG2-OE2 3.48Å; T223-E226 PolarHBondContact N-OE2 3Å; T223-E226 PolarHBondContact O-N 2.94Å; T223-E226 VanDerWaalsContact OG1-CD 3.3Å; T223-E226 VanDerWaalsContact OG1-CG 3.31Å; T223-E226 WeakPolarHBondContact OG1-CG 3.42Å; T223-E226 PolarHBondContact OG1-N 2.95Å; T223-E226 PolarHBondContact OG1-OE2 3.43Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.28Å; E226-V229 PolarHBondContact O-N 3.46Å; E226-V230 WeakPolarHBondContact O-CG2 3.31Å; E226-V230 PolarHBondContact O-N 3.26Å |
| 227 | Y | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 172.3 | -68.9 | -47.2 | 0 | 0 | 0 | 112.6 | T149 L151 T216 F217 F222 T223 V229 V230 Y231 | T149-Y227 WeakPolarHBondContact CB-OH 3.28Å; T149-Y227 WeakPolarHBondContact OG1-CE1 3.25Å; T149-Y227 VanDerWaalsContact OG1-CZ 3.32Å; T149-Y227 PolarHBondContact OG1-OH 3.41Å; L151-Y227 HydrophobicContact CB-CE1 4.06Å; L151-Y227 HydrophobicContact CD2-CD1 4.25Å; L151-Y227 HydrophobicContact CD2-CE1 4.19Å; T216-Y227 HydrophobicContact CG2-CD1 4.14Å; T216-Y227 HydrophobicContact CG2-CE1 4.4Å; T216-Y227 HydrophobicContact CG2-CG 4.47Å; F217-Y227 HydrophobicContact CD2-CG 4.28Å; F217-Y227 HydrophobicContact CE2-CG 4.43Å; F217-Y227 HydrophobicContact CG-CD2 4.39Å; F217-Y227 HydrophobicContact CG-CG 4.47Å; F217-Y227 VanDerWaalsContact CZ-CB 3.5Å; F217-Y227 WeakPolarHBondContact CZ-O 3.39Å; F222-Y227 HydrophobicContact CB-CD1 4.17Å; F222-Y227 HydrophobicContact CB-CD2 4.4Å; F222-Y227 HydrophobicContact CB-CE1 3.73Å; F222-Y227 HydrophobicContact CB-CE2 3.98Å; F222-Y227 HydrophobicContact CB-CG 4.47Å; F222-Y227 AromaticContact CD2-CE1 3.84Å; F222-Y227 HydrophobicContact CD2-CE1 3.84Å; F222-Y227 HydrophobicContact CG-CE1 4.14Å; F222-Y227 PolarHBondContact N-OH 3.38Å; F222-Y227 VanDerWaalsContact N-OH 3.15Å; F222-Y227 VanDerWaalsContact O-CE2 3.25Å; F222-Y227 WeakPolarHBondContact O-CE2 3.22Å; T223-Y227 PolarHBondContact O-N 2.91Å; T223-Y227 VanDerWaalsContact O-N 3.09Å; Y227-V229 VanDerWaalsContact C-N 3.34Å; Y227-V229 PolarHBondContact O-N 3.42Å; Y227-V230 PolarHBondContact O-N 3.47Å; Y227-Y231 HydrophobicContact CD1-CD2 4.29Å; Y227-Y231 HydrophobicContact CD1-CE2 4.05Å; Y227-Y231 WeakPolarHBondContact O-CB 3.42Å; Y227-Y231 PolarHBondContact O-N 2.89Å |
| 228 | A | 97.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -62.5 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F217 F224 K225 E226 W232 L233 | F217-A228 HydrophobicContact CE1-CB 4.24Å; F217-A228 HydrophobicContact CZ-CB 4.47Å; F224-A228 WeakPolarHBondContact O-CB 3.1Å; F224-A228 PolarHBondContact O-N 2.47Å; K225-A228 PolarHBondContact O-N 2.63Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.28Å; A228-W232 HydrophobicContact CB-CD2 4.25Å; A228-W232 HydrophobicContact CB-CE3 4.06Å; A228-W232 WeakPolarHBondContact O-CA 3.3Å; A228-W232 WeakPolarHBondContact O-CB 3.47Å; A228-W232 PolarHBondContact O-N 2.89Å; A228-L233 PolarHBondContact O-N 3.13Å |
| 229 | V | 98.1 | Very high | 96 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 35% | 0.345 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -60.7 | -50.1 | 173.3 | 169.5 | 0 | 0 | 0 | 0 | 110.2 | V155 F159 K225 E226 Y227 L233 S234 | V155-V229 HydrophobicContact CG1-CG1 4.25Å; F159-V229 HydrophobicContact CD2-CG1 4Å; F159-V229 WeakPolarHBondContact CD2-O 3.49Å; K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.94Å; E226-V229 PolarHBondContact O-N 3.46Å; Y227-V229 VanDerWaalsContact C-N 3.34Å; Y227-V229 PolarHBondContact O-N 3.42Å; V229-L233 WeakPolarHBondContact O-CB 3.21Å; V229-S234 PolarHBondContact O-N 3.37Å |
| 230 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -72 | -36 | -173.4 | 173.4 | 0 | 0 | 0 | 0 | 113.6 | L151 V155 E162 T203 E226 Y227 S234 | L151-V230 HydrophobicContact CD1-CG1 4.02Å; L151-V230 HydrophobicContact CD2-CB 4.4Å; L151-V230 HydrophobicContact CD2-CG1 4.29Å; L151-V230 HydrophobicContact CD2-CG2 4Å; V155-V230 HydrophobicContact CB-CG2 4.3Å; V155-V230 HydrophobicContact CG1-CG2 3.8Å; V155-V230 WeakPolarHBondContact O-CG2 3.11Å; E162-V230 WeakPolarHBondContact CB-O 3.36Å; E162-V230 HydrophobicContact CG-CG1 4.36Å; E162-V230 WeakPolarHBondContact CG-O 3.09Å; T203-V230 HydrophobicContact CG2-CG1 4.31Å; E226-V230 WeakPolarHBondContact O-CG2 3.31Å; E226-V230 PolarHBondContact O-N 3.26Å; Y227-V230 PolarHBondContact O-N 3.47Å; V230-S234 VanDerWaalsContact O-CB 3.25Å; V230-S234 WeakPolarHBondContact O-CB 3.48Å; V230-S234 PolarHBondContact O-OG 3.14Å |
| 231 | Y | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -111.2 | -27.7 | -171.8 | -70.4 | -74.5 | 0 | 0 | 0 | 114 | L151 E162 T203 F206 A212 T216 F217 Y227 S235 | L151-Y231 HydrophobicContact CB-CE2 4.29Å; L151-Y231 PolarHBondContact N-OH 3.25Å; E162-Y231 HydrophobicContact CG-CD1 3.97Å; E162-Y231 HydrophobicContact CG-CE1 4.1Å; E162-Y231 VanDerWaalsContact OE1-CE1 3.29Å; E162-Y231 WeakPolarHBondContact OE1-CE1 3.48Å; T203-Y231 WeakPolarHBondContact O-CE1 3.45Å; T203-Y231 PolarHBondContact O-OH 3.35Å; F206-Y231 HydrophobicContact CB-CD1 4.43Å; F206-Y231 AromaticContact CD2-CD1 3.8Å; F206-Y231 HydrophobicContact CD2-CD1 3.8Å; F206-Y231 AromaticContact CD2-CE1 3.36Å; F206-Y231 HydrophobicContact CD2-CE1 3.36Å; F206-Y231 AromaticContact CE2-CE1 3.92Å; F206-Y231 HydrophobicContact CE2-CE1 3.92Å; F206-Y231 HydrophobicContact CG-CE1 4.29Å; A212-Y231 HydrophobicContact CB-CD1 3.68Å; A212-Y231 HydrophobicContact CB-CD2 4.36Å; A212-Y231 HydrophobicContact CB-CE1 4.44Å; A212-Y231 HydrophobicContact CB-CG 3.61Å; T216-Y231 HydrophobicContact CG2-CD2 3.89Å; T216-Y231 HydrophobicContact CG2-CE2 3.57Å; F217-Y231 HydrophobicContact CE2-CD2 4.13Å; F217-Y231 HydrophobicContact CE2-CG 4.45Å; Y227-Y231 HydrophobicContact CD1-CD2 4.29Å; Y227-Y231 HydrophobicContact CD1-CE2 4.05Å; Y227-Y231 WeakPolarHBondContact O-CB 3.42Å; Y227-Y231 PolarHBondContact O-N 2.89Å; Y231-S235 WeakPolarHBondContact O-CB 3.23Å |
| 232 | W | 98.2 | Very high | 97 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 25% | 0.254 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -95.4 | -56.5 | 179.7 | -58.5 | 0.6 | 0 | 0 | 0 | 110.6 | F115 P209 Y213 F217 F224 A228 S235 L236 | F115-W232 HydrophobicContact CD1-CZ2 4.46Å; F115-W232 AromaticContact CE1-CE2 3.9Å; F115-W232 HydrophobicContact CE1-CH2 4.13Å; F115-W232 AromaticContact CE1-CZ2 3.43Å; F115-W232 HydrophobicContact CE1-CZ2 3.43Å; F115-W232 VanDerWaalsContact CE1-CZ2 3.43Å; F115-W232 AromaticContact CZ-CE2 3.86Å; F115-W232 HydrophobicContact CZ-CH2 4.13Å; F115-W232 AromaticContact CZ-CZ2 3.65Å; F115-W232 HydrophobicContact CZ-CZ2 3.65Å; P209-W232 HydrophobicContact CB-CB 4.4Å; P209-W232 VanDerWaalsContact CB-CD1 3.45Å; P209-W232 HydrophobicContact CB-CG 3.93Å; P209-W232 PolarHBondContact O-NE1 2.94Å; Y213-W232 HydrophobicContact CD2-CZ2 4.39Å; F217-W232 HydrophobicContact CD1-CZ2 4.47Å; F217-W232 HydrophobicContact CE1-CD2 4.43Å; F217-W232 AromaticContact CE1-CE2 3.77Å; F217-W232 AromaticContact CE1-CZ2 3.83Å; F217-W232 HydrophobicContact CE1-CZ2 3.83Å; F217-W232 AromaticContact CE1-NE1 3.89Å; F217-W232 AromaticContact CE2-NE1 3.84Å; F217-W232 AromaticContact CZ-CD1 3.71Å; F217-W232 HydrophobicContact CZ-CD2 4.24Å; F217-W232 AromaticContact CZ-CE2 3.64Å; F217-W232 HydrophobicContact CZ-CG 4.31Å; F217-W232 HydrophobicContact CZ-CZ2 4.15Å; F217-W232 AromaticContact CZ-NE1 3.28Å; F217-W232 VanDerWaalsContact CZ-NE1 3.28Å; F224-W232 HydrophobicContact CE1-CH2 4.3Å; F224-W232 HydrophobicContact CE1-CZ3 4.45Å; F224-W232 AromaticContact CZ-CH2 3.78Å; F224-W232 HydrophobicContact CZ-CH2 3.78Å; F224-W232 HydrophobicContact CZ-CZ2 4.33Å; F224-W232 HydrophobicContact CZ-CZ3 4.36Å; A228-W232 HydrophobicContact CB-CD2 4.25Å; A228-W232 HydrophobicContact CB-CE3 4.06Å; A228-W232 WeakPolarHBondContact O-CA 3.3Å; A228-W232 WeakPolarHBondContact O-CB 3.47Å; A228-W232 PolarHBondContact O-N 2.89Å; W232-S235 PolarHBondContact O-N 2.99Å; W232-L236 WeakPolarHBondContact O-CG 3.42Å; W232-L236 PolarHBondContact O-N 3.18Å; W232-L236 VanDerWaalsContact O-N 3.1Å |
| 233 | L | 98.2 | Very high | 97 | Very high | 91 Ų | 91 | 42.8 Ų | 42.8 | 48% | 0.476 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -66.5 | -41.6 | -176.3 | -177.3 | 63.8 | 0 | 0 | 0 | 112.1 | F159 A228 V229 T237 | F159-L233 HydrophobicContact CE2-CB 4.4Å; F159-L233 HydrophobicContact CE2-CD2 4.21Å; F159-L233 HydrophobicContact CE2-CG 4.07Å; A228-L233 PolarHBondContact O-N 3.13Å; V229-L233 WeakPolarHBondContact O-CB 3.21Å; L233-T237 VanDerWaalsContact O-CB 3.3Å; L233-T237 WeakPolarHBondContact O-CB 3.16Å; L233-T237 PolarHBondContact O-N 2.84Å; L233-T237 PolarHBondContact O-OG1 3.48Å |
| 234 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 176.6 | 68 | 0 | 0 | 0 | 0 | 112.4 | F159 E162 V229 V230 T237 G238 | F159-S234 WeakPolarHBondContact O-CB 3.4Å; E162-S234 WeakPolarHBondContact CB-OG 3.28Å; V229-S234 PolarHBondContact O-N 3.37Å; V230-S234 VanDerWaalsContact O-CB 3.25Å; V230-S234 WeakPolarHBondContact O-CB 3.48Å; V230-S234 PolarHBondContact O-OG 3.14Å; S234-T237 WeakPolarHBondContact O-CB 3.43Å; S234-T237 PolarHBondContact O-N 3.36Å; S234-G238 PolarHBondContact O-N 3.37Å |
| 235 | S | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | -178 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | S91 M207 Y231 W232 G238 M239 | S91-S235 PolarHBondContact OG-OG 3.47Å; M207-S235 PolarHBondContact O-OG 3.49Å; Y231-S235 WeakPolarHBondContact O-CB 3.23Å; W232-S235 PolarHBondContact O-N 2.99Å; S235-G238 PolarHBondContact O-N 3.49Å; S235-M239 WeakPolarHBondContact O-CB 3.31Å; S235-M239 PolarHBondContact O-N 3.01Å |
| 236 | L | 97.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 173.1 | -66.8 | 176.8 | 0 | 0 | 0 | 111.4 | V94 W232 G238 M239 M240 | V94-L236 HydrophobicContact CB-CD2 4.32Å; V94-L236 HydrophobicContact CG1-CD2 4.17Å; V94-L236 HydrophobicContact CG2-CD2 4.44Å; W232-L236 WeakPolarHBondContact O-CG 3.42Å; W232-L236 PolarHBondContact O-N 3.18Å; W232-L236 VanDerWaalsContact O-N 3.1Å; L236-G238 PolarHBondContact O-N 3.21Å; L236-M239 PolarHBondContact O-N 2.86Å; L236-M240 WeakPolarHBondContact O-CB 3.3Å; L236-M240 WeakPolarHBondContact O-CG 3.45Å; L236-M240 PolarHBondContact O-N 3.27Å |
| 237 | T | 97.7 | Very high | 95.7 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 27% | 0.27 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | L233 S234 M239 M240 L241 | L233-T237 VanDerWaalsContact O-CB 3.3Å; L233-T237 WeakPolarHBondContact O-CB 3.16Å; L233-T237 PolarHBondContact O-N 2.84Å; L233-T237 PolarHBondContact O-OG1 3.48Å; S234-T237 WeakPolarHBondContact O-CB 3.43Å; S234-T237 PolarHBondContact O-N 3.36Å; T237-M239 PolarHBondContact O-N 3.35Å; T237-M240 PolarHBondContact O-N 3.13Å; T237-L241 HydrophobicContact CG2-CD1 4.18Å; T237-L241 WeakPolarHBondContact O-CG 3.25Å; T237-L241 PolarHBondContact O-N 2.91Å |
| 238 | G | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F167 S234 S235 L236 M240 L241 A242 | F167-G238 WeakPolarHBondContact CA-O 3.37Å; S234-G238 PolarHBondContact O-N 3.37Å; S235-G238 PolarHBondContact O-N 3.49Å; L236-G238 PolarHBondContact O-N 3.21Å; G238-M240 PolarHBondContact O-N 2.91Å; G238-L241 PolarHBondContact O-N 3.07Å; G238-A242 WeakPolarHBondContact O-CB 3.33Å; G238-A242 PolarHBondContact O-N 3.31Å |
| 239 | M | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 173.7 | 178.1 | -137.7 | 57.4 | 0 | 0 | 112.2 | V94 Q95 L98 S235 L236 T237 A242 L243 | V94-M239 HydrophobicContact CG1-CE 4.34Å; V94-M239 HydrophobicContact CG1-SD 4.36Å; Q95-M239 HydrophobicContact CB-CG 4.03Å; Q95-M239 HydrophobicContact CB-SD 3.6Å; Q95-M239 VanDerWaalsContact CB-SD 3.6Å; Q95-M239 HydrophobicContact CG-CG 3.98Å; Q95-M239 HydrophobicContact CG-SD 4.04Å; L98-M239 HydrophobicContact CD1-CE 3.42Å; L98-M239 VanDerWaalsContact CD1-CE 3.42Å; L98-M239 HydrophobicContact CD1-SD 4.24Å; S235-M239 WeakPolarHBondContact O-CB 3.31Å; S235-M239 PolarHBondContact O-N 3.01Å; L236-M239 PolarHBondContact O-N 2.86Å; T237-M239 PolarHBondContact O-N 3.35Å; M239-A242 PolarHBondContact O-N 2.94Å; M239-L243 HydrophobicContact CE-CD1 4.35Å; M239-L243 WeakPolarHBondContact O-CG 3.12Å; M239-L243 PolarHBondContact O-N 3.34Å; M239-L243 HydrophobicContact SD-CD1 4.49Å |
| 240 | M | 95.9 | Very high | 93.5 | Very high | 49 Ų | 49 | 33.1 Ų | 33.1 | 24% | 0.241 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.8 | -70.7 | -67.4 | -83 | 0 | 0 | 111.6 | L98 L236 T237 G238 A242 L243 L244 I250 L253 | L98-M240 HydrophobicContact CD1-SD 3.31Å; L98-M240 WeakPolarHBondContact CD1-SD 3.39Å; L236-M240 WeakPolarHBondContact O-CB 3.3Å; L236-M240 WeakPolarHBondContact O-CG 3.45Å; L236-M240 PolarHBondContact O-N 3.27Å; T237-M240 PolarHBondContact O-N 3.13Å; G238-M240 PolarHBondContact O-N 2.91Å; M240-A242 VanDerWaalsContact C-N 3.32Å; M240-A242 PolarHBondContact O-N 3.07Å; M240-L243 PolarHBondContact O-N 3.19Å; M240-L244 WeakPolarHBondContact O-CB 3.2Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 3.09Å; M240-I250 HydrophobicContact CE-CD1 3.21Å; M240-I250 HydrophobicContact SD-CD1 3.78Å; M240-L253 HydrophobicContact CE-CD1 3.55Å |
| 241 | L | 95.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.9 | -69.7 | 173.5 | 0 | 0 | 0 | 111.5 | F167 T237 G238 L244 L245 | F167-L241 HydrophobicContact CD2-CB 3.68Å; F167-L241 HydrophobicContact CE2-CB 4.09Å; T237-L241 HydrophobicContact CG2-CD1 4.18Å; T237-L241 WeakPolarHBondContact O-CG 3.25Å; T237-L241 PolarHBondContact O-N 2.91Å; G238-L241 PolarHBondContact O-N 3.07Å; L241-L244 PolarHBondContact O-N 3.24Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 PolarHBondContact O-N 2.96Å |
| 242 | A | 96 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F167 H170 L171 L174 G238 M239 M240 L245 Y246 | F167-A242 HydrophobicContact CD2-CB 3.9Å; F167-A242 HydrophobicContact CE2-CB 4.3Å; F167-A242 WeakPolarHBondContact O-CB 3.5Å; H170-A242 HydrophobicContact CB-CB 3.65Å; L171-A242 HydrophobicContact CB-CB 4.25Å; L174-A242 HydrophobicContact CD1-CB 4.49Å; G238-A242 WeakPolarHBondContact O-CB 3.33Å; G238-A242 PolarHBondContact O-N 3.31Å; M239-A242 PolarHBondContact O-N 2.94Å; M240-A242 VanDerWaalsContact C-N 3.32Å; M240-A242 PolarHBondContact O-N 3.07Å; A242-L245 PolarHBondContact O-N 3.38Å; A242-Y246 VanDerWaalsContact O-CB 3.23Å; A242-Y246 WeakPolarHBondContact O-CB 3.35Å; A242-Y246 PolarHBondContact O-N 2.9Å |
| 243 | L | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.5 | -78.1 | 178.2 | 0 | 0 | 0 | 112 | Q95 L98 Q99 L174 M239 M240 L245 Y246 M247 | Q95-L243 HydrophobicContact CG-CD1 3.79Å; Q95-L243 HydrophobicContact CG-CD2 3.76Å; Q95-L243 HydrophobicContact CG-CG 3.95Å; L98-L243 HydrophobicContact CB-CD1 4.17Å; L98-L243 HydrophobicContact CD1-CD1 4.06Å; Q99-L243 HydrophobicContact CG-CD2 3.82Å; L174-L243 HydrophobicContact CD1-CD2 3.99Å; L174-L243 HydrophobicContact CD2-CD2 4.09Å; M239-L243 HydrophobicContact CE-CD1 4.35Å; M239-L243 WeakPolarHBondContact O-CG 3.12Å; M239-L243 PolarHBondContact O-N 3.34Å; M239-L243 HydrophobicContact SD-CD1 4.49Å; M240-L243 PolarHBondContact O-N 3.19Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3.25Å; L243-Y246 PolarHBondContact O-N 3.47Å; L243-M247 HydrophobicContact CD2-SD 4.49Å; L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 PolarHBondContact O-N 2.81Å |
| 244 | L | 91.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 177.2 | -77.3 | 167.9 | 0 | 0 | 0 | 110.8 | M240 L241 G248 I250 L258 L259 | M240-L244 WeakPolarHBondContact O-CB 3.2Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 3.09Å; L241-L244 PolarHBondContact O-N 3.24Å; L244-G248 WeakPolarHBondContact O-CA 3.31Å; L244-G248 PolarHBondContact O-N 2.98Å; L244-I250 HydrophobicContact CD1-CD1 4.28Å; L244-I250 HydrophobicContact CD2-CD1 3.88Å; L244-I250 HydrophobicContact CD2-CG1 3.64Å; L244-I250 HydrophobicContact CG-CD1 3.81Å; L244-I250 HydrophobicContact CG-CG1 3.89Å; L244-L258 HydrophobicContact CD2-CD1 4.14Å; L244-L259 HydrophobicContact CB-CD1 4.47Å; L244-L259 WeakPolarHBondContact O-CD1 3.46Å |
| 245 | L | 92.1 | Very high | 88.5 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 179.4 | -177 | 62.1 | 0 | 0 | 0 | 112.3 | F167 L171 L241 A242 L243 Y260 | F167-L245 HydrophobicContact CE2-CB 4.43Å; F167-L245 HydrophobicContact CE2-CD2 4.04Å; F167-L245 HydrophobicContact CZ-CD2 3.57Å; L171-L245 HydrophobicContact CD2-CD2 4.14Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 PolarHBondContact O-N 2.96Å; A242-L245 PolarHBondContact O-N 3.38Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3.25Å; L245-Y260 PolarHBondContact O-OH 2.95Å |
| 246 | Y | 88.8 | Confident | 87 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.9 | -43.2 | -175.6 | -175.4 | -97 | 0 | 0 | 0 | 113.3 | L171 L174 A242 L243 | L171-Y246 HydrophobicContact CD1-CD2 4.29Å; L174-Y246 HydrophobicContact CB-CD1 3.99Å; L174-Y246 HydrophobicContact CB-CD2 3.82Å; L174-Y246 HydrophobicContact CB-CE1 4.15Å; L174-Y246 HydrophobicContact CB-CE2 3.98Å; L174-Y246 HydrophobicContact CB-CG 3.83Å; L174-Y246 HydrophobicContact CD1-CD1 4.22Å; L174-Y246 HydrophobicContact CD1-CG 3.97Å; L174-Y246 HydrophobicContact CD2-CD1 4.08Å; L174-Y246 HydrophobicContact CD2-CE1 4.35Å; L174-Y246 HydrophobicContact CG-CD1 4.33Å; L174-Y246 HydrophobicContact CG-CG 4.34Å; L174-Y246 PolarHBondContact O-OH 3.4Å; A242-Y246 VanDerWaalsContact O-CB 3.23Å; A242-Y246 WeakPolarHBondContact O-CB 3.35Å; A242-Y246 PolarHBondContact O-N 2.9Å; L243-Y246 PolarHBondContact O-N 3.47Å |
| 247 | M | 84.9 | Confident | 85.7 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 30% | 0.296 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -98.2 | -22.7 | -175.3 | -60.8 | -168 | 73.7 | 0 | 0 | 113 | Q99 L243 H249 P251 N257 | Q99-M247 HydrophobicContact CG-SD 4.12Å; Q99-M247 PolarHBondContact NE2-SD 3.37Å; Q99-M247 VanDerWaalsContact NE2-SD 3.39Å; L243-M247 HydrophobicContact CD2-SD 4.49Å; L243-M247 WeakPolarHBondContact O-CB 3.38Å; L243-M247 PolarHBondContact O-N 2.81Å; M247-H249 WeakPolarHBondContact CB-O 3.38Å; M247-H249 PolarHBondContact O-CD2 3.46Å; M247-H249 PolarHBondContact O-N 2.77Å; M247-P251 HydrophobicContact CE-CG 3.98Å; M247-P251 HydrophobicContact SD-CG 4.29Å; M247-N257 PolarHBondContact O-OD1 2.85Å |
| 248 | G | 82.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 82.3 | -9.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L244 N257 L258 L259 | L244-G248 WeakPolarHBondContact O-CA 3.31Å; L244-G248 PolarHBondContact O-N 2.98Å; G248-N257 CarbonylContact O-C 3.45Å; G248-L258 PolarHBondContact O-N 3.02Å; G248-L259 PolarHBondContact O-N 3.48Å |
| 249 | H | 81.1 | Confident | 83.1 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -155.4 | 172.8 | 176.3 | 68.6 | 125.6 | 0 | 0 | 0 | 110.5 | M247 F254 R256 N257 | M247-H249 WeakPolarHBondContact CB-O 3.38Å; M247-H249 PolarHBondContact O-CD2 3.46Å; M247-H249 PolarHBondContact O-N 2.77Å; H249-F254 PolarHBondContact ND1-O 3.23Å; H249-F254 VanDerWaalsContact ND1-O 3.1Å; H249-R256 WeakPolarHBondContact CB-O 3.23Å; H249-N257 PolarHBondContact CD2-OD1 3.15Å |
| 250 | I | 83.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | trans | -114.7 | 108.1 | 171.9 | -59.4 | 177.4 | 0 | 0 | 0 | 107.2 | L98 M240 L244 R252 L253 F254 | L98-I250 HydrophobicContact CB-CG2 4.04Å; L98-I250 HydrophobicContact CD2-CG2 4.16Å; M240-I250 HydrophobicContact CE-CD1 3.21Å; M240-I250 HydrophobicContact SD-CD1 3.78Å; L244-I250 HydrophobicContact CD1-CD1 4.28Å; L244-I250 HydrophobicContact CD2-CD1 3.88Å; L244-I250 HydrophobicContact CD2-CG1 3.64Å; L244-I250 HydrophobicContact CG-CD1 3.81Å; L244-I250 HydrophobicContact CG-CG1 3.89Å; I250-R252 PolarHBondContact O-N 3.34Å; I250-L253 HydrophobicContact CB-CB 4.21Å; I250-L253 HydrophobicContact CB-CD1 4.44Å; I250-L253 HydrophobicContact CD1-CD1 4.13Å; I250-L253 HydrophobicContact CG2-CB 4.17Å; I250-L253 HydrophobicContact CG2-CD1 4Å; I250-L253 HydrophobicContact CG2-CG 4.04Å; I250-L253 PolarHBondContact O-N 2.92Å; I250-F254 HydrophobicContact CB-CD2 4.48Å; I250-F254 PolarHBondContact O-N 3.4Å; I250-F254 VanDerWaalsContact O-O 3.13Å | ||
| 251 | P | 82.1 | Confident | 80 | Confident | 30 Ų | 30 | 75.4 Ų | 75.4 | 20% | 0.195 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -38.5 | -169.6 | -30.8 | 35.3 | 0 | 0 | 0 | 115.2 | L100 M247 | L100-P251 HydrophobicContact CD1-CB 3.74Å; L100-P251 HydrophobicContact CG-CB 4.09Å; M247-P251 HydrophobicContact CE-CG 3.98Å; M247-P251 HydrophobicContact SD-CG 4.29Å |
| 252 | R | 81.9 | Confident | 78 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -27.1 | 176.9 | -87.4 | -81.5 | -171.3 | 165.2 | -8.4 | 115.6 | F97 L98 L100 I250 | F97-R252 VanDerWaalsContact CE2-CZ 3.49Å; F97-R252 VanDerWaalsContact O-CG 3.26Å; F97-R252 WeakPolarHBondContact O-CG 3.41Å; L98-R252 HydrophobicContact CD2-CB 4.37Å; L98-R252 WeakPolarHBondContact O-CB 3.44Å; L98-R252 WeakPolarHBondContact O-CG 3.33Å; L98-R252 PolarHBondContact O-N 3.18Å; L98-R252 VanDerWaalsContact O-N 3.12Å; L100-R252 HydrophobicContact CD2-CG 3.68Å; L100-R252 VanDerWaalsContact CD2-NE 3.3Å; L100-R252 HydrophobicContact CG-CG 4.07Å; I250-R252 PolarHBondContact O-N 3.34Å |
| 253 | L | 80.6 | Confident | 75.6 | Confident | 98 Ų | 98 | 88 Ų | 88 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -38.6 | -171.4 | -63.5 | 175.8 | 0 | 0 | 0 | 112.5 | L98 M240 I250 | L98-L253 HydrophobicContact CD2-CD1 4.36Å; L98-L253 HydrophobicContact CD2-CG 4.42Å; M240-L253 HydrophobicContact CE-CD1 3.55Å; I250-L253 HydrophobicContact CB-CB 4.21Å; I250-L253 HydrophobicContact CB-CD1 4.44Å; I250-L253 HydrophobicContact CD1-CD1 4.13Å; I250-L253 HydrophobicContact CG2-CB 4.17Å; I250-L253 HydrophobicContact CG2-CD1 4Å; I250-L253 HydrophobicContact CG2-CG 4.04Å; I250-L253 PolarHBondContact O-N 2.92Å |
| 254 | F | 77.1 | Confident | 73.3 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | trans | -133.4 | 116.2 | -175.5 | -56.9 | -71 | 0 | 0 | 0 | 110.1 | H249 I250 R256 L258 | H249-F254 PolarHBondContact ND1-O 3.23Å; H249-F254 VanDerWaalsContact ND1-O 3.1Å; I250-F254 HydrophobicContact CB-CD2 4.48Å; I250-F254 PolarHBondContact O-N 3.4Å; I250-F254 VanDerWaalsContact O-O 3.13Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-L258 HydrophobicContact CB-CD1 4.1Å; F254-L258 HydrophobicContact CB-CG 4.39Å; F254-L258 HydrophobicContact CD1-CD1 4.22Å; F254-L258 HydrophobicContact CD2-CD1 3.57Å; F254-L258 HydrophobicContact CE2-CD1 3.98Å; F254-L258 HydrophobicContact CG-CD1 3.7Å; F254-L258 HydrophobicContact CG-CG 4.41Å; F254-L258 HydrophobicContact CZ-CD1 4.46Å | ||
| 255 | A | 62.9 | Low | 71.2 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 85% | 0.851 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -75.5 | -19.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 256 | R | 66.7 | Low | 68.9 | Low | 214 Ų | 214 | 108.3 Ų | 108.3 | 81% | 0.808 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -101.3 | 140.5 | 179.5 | -72.1 | -174.7 | 175.7 | -179.8 | -0.4 | 111.1 | H249 F254 L258 | H249-R256 WeakPolarHBondContact CB-O 3.23Å; F254-R256 VanDerWaalsContact C-N 3.31Å; R256-L258 PolarHBondContact O-N 3.39Å; R256-L258 VanDerWaalsContact O-N 3.14Å |
| 257 | N | 69.1 | Low | 66.8 | Low | 66 Ų | 66 | 116 Ų | 116 | 35% | 0.353 | 54% | 0.535 | S | S | . | . | trans | -58.4 | 113.7 | 166.1 | -82.2 | -40.3 | 0 | 0 | 0 | 110 | M247 G248 H249 Y260 | M247-N257 PolarHBondContact O-OD1 2.85Å; G248-N257 CarbonylContact O-C 3.45Å; H249-N257 PolarHBondContact CD2-OD1 3.15Å; N257-Y260 VanDerWaalsContact CB-O 3.28Å; N257-Y260 WeakPolarHBondContact CB-O 3.44Å | ||
| 258 | L | 72.3 | Confident | 65.1 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 44% | 0.435 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -82.4 | -33.5 | 179 | -67.1 | 172.9 | 0 | 0 | 0 | 111.5 | L244 G248 F254 R256 | L244-L258 HydrophobicContact CD2-CD1 4.14Å; G248-L258 PolarHBondContact O-N 3.02Å; F254-L258 HydrophobicContact CB-CD1 4.1Å; F254-L258 HydrophobicContact CB-CG 4.39Å; F254-L258 HydrophobicContact CD1-CD1 4.22Å; F254-L258 HydrophobicContact CD2-CD1 3.57Å; F254-L258 HydrophobicContact CE2-CD1 3.98Å; F254-L258 HydrophobicContact CG-CD1 3.7Å; F254-L258 HydrophobicContact CG-CG 4.41Å; F254-L258 HydrophobicContact CZ-CD1 4.46Å; R256-L258 PolarHBondContact O-N 3.39Å; R256-L258 VanDerWaalsContact O-N 3.14Å |
| 259 | L | 69.1 | Low | 63.2 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -97.7 | -39.6 | -177.4 | -61 | -177.7 | 0 | 0 | 0 | 113.1 | L244 G248 F261 | L244-L259 HydrophobicContact CB-CD1 4.47Å; L244-L259 WeakPolarHBondContact O-CD1 3.46Å; G248-L259 PolarHBondContact O-N 3.48Å; L259-F261 PolarHBondContact O-N 3.28Å |
| 260 | Y | 67.3 | Low | 61.6 | Low | 129 Ų | 129 | 131.8 Ų | 131.8 | 51% | 0.506 | 62% | 0.623 | S | S | . | * | trans | -99.8 | 86.5 | -179.5 | -56.7 | -65 | 0 | 0 | 0 | 109.8 | L245 N257 Q262 | L245-Y260 PolarHBondContact O-OH 2.95Å; N257-Y260 VanDerWaalsContact CB-O 3.28Å; N257-Y260 WeakPolarHBondContact CB-O 3.44Å; Y260-Q262 PolarHBondContact O-N 3.47Å; Y260-Q262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | F | 61 | Low | 59.6 | Low | 180 Ų | 180 | 135.1 Ų | 135.1 | 79% | 0.789 | 66% | 0.658 | S | S | * | * | trans | -61.6 | 113.2 | 165.6 | -85.1 | -88.4 | 0 | 0 | 0 | 108.5 | L259 K263 | L259-F261 PolarHBondContact O-N 3.28Å; F261-K263 PolarHBondContact O-N 3.44Å | ||
| 262 | Q | 54.8 | Low | 57.7 | Low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -61.6 | 101.1 | 165 | -86.1 | -173.8 | -35.1 | 0 | 0 | 107.7 | Y260 T264 | Y260-Q262 PolarHBondContact O-N 3.47Å; Y260-Q262 VanDerWaalsContact O-N 3.09Å; Q262-T264 VanDerWaalsContact C-N 3.34Å; Q262-T264 PolarHBondContact O-N 3.45Å | ||
| 263 | K | 44.4 | Very low | 55.8 | Low | 175 Ų | 175 | 145.8 Ų | 145.8 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -59.5 | 104.5 | 158 | -95.9 | -179 | 177.6 | 171.7 | 0 | 106 | F261 R265 | F261-K263 PolarHBondContact O-N 3.44Å; K263-R265 PolarHBondContact O-N 3.06Å | ||
| 264 | T | 45.8 | Very low | 53.9 | Low | 135 Ų | 135 | 149.2 Ų | 149.2 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 78.6 | 167.5 | 44.9 | 0 | 0 | 0 | 0 | 109 | Q262 F266 | Q262-T264 VanDerWaalsContact C-N 3.34Å; Q262-T264 PolarHBondContact O-N 3.45Å; T264-F266 PolarHBondContact O-N 2.95Å | ||
| 265 | R | 47.1 | Very low | 52.1 | Low | 210 Ų | 210 | 152.9 Ų | 152.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -84.5 | 70.3 | 165.1 | -80.4 | -163 | -169.1 | -177.4 | 5.5 | 108.9 | K263 | K263-R265 PolarHBondContact O-N 3.06Š| ||
| 266 | F | 44 | Very low | 51 | Low | 196 Ų | 196 | 157.4 Ų | 157.4 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -140.9 | 82.3 | 152 | -90.9 | -78.5 | 0 | 0 | 0 | 107.4 | T264 V268 | T264-F266 PolarHBondContact O-N 2.95Å; F266-V268 VanDerWaalsContact C-N 3.31Å; F266-V268 PolarHBondContact O-N 2.76Å; F266-V268 VanDerWaalsContact O-N 3.15Å | ||
| 267 | R | 45.1 | Very low | 49.7 | Very low | 244 Ų | 244 | 155.8 Ų | 155.8 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -74 | 95.4 | 160.4 | -157.8 | 178.8 | -161.8 | 176.8 | 4.2 | 104.9 | P269 | R267-P269 WeakPolarHBondContact O-CD 3.33Š| ||
| 268 | V | 48.4 | Very low | 48.3 | Very low | 119 Ų | 119 | 162.3 Ų | 162.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -55.9 | 122.8 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | F266 K270 | F266-V268 VanDerWaalsContact C-N 3.31Å; F266-V268 PolarHBondContact O-N 2.76Å; F266-V268 VanDerWaalsContact O-N 3.15Å; V268-K270 PolarHBondContact O-N 3.15Å | ||
| 269 | P | 43.5 | Very low | 46.5 | Very low | 114 Ų | 114 | 171.8 Ų | 171.8 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 126.3 | 173.7 | -16.2 | 29 | 0 | 0 | 0 | 108.2 | R267 G271 | R267-P269 WeakPolarHBondContact O-CD 3.33Å; P269-G271 PolarHBondContact O-N 2.85Å | ||
| 270 | K | 46.3 | Very low | 45.4 | Very low | 201 Ų | 201 | 175.5 Ų | 175.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -58.6 | 110.9 | 164.9 | -86.6 | 180 | 172.3 | 179.7 | 0 | 106.5 | V268 D272 | V268-K270 PolarHBondContact O-N 3.15Å; K270-D272 PolarHBondContact O-N 2.74Å | ||
| 271 | G | 41.3 | Very low | 44.3 | Very low | 71 Ų | 71 | 177.9 Ų | 177.9 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | trans | -63.1 | 119.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P269 K273 | P269-G271 PolarHBondContact O-N 2.85Å; G271-K273 PolarHBondContact O-N 3.13Å | ||
| 272 | D | 43.7 | Very low | 43.3 | Very low | 149 Ų | 149 | 177.8 Ų | 177.8 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | trans | -61.2 | 117.5 | 171.7 | -80.3 | -34.3 | 0 | 0 | 0 | 109.6 | K270 H274 | K270-D272 PolarHBondContact O-N 2.74Å; D272-H274 VanDerWaalsContact C-N 3.32Å; D272-H274 PolarHBondContact O-N 3.49Å | ||
| 273 | K | 41.8 | Very low | 42.6 | Very low | 207 Ų | 207 | 178.2 Ų | 178.2 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -72.6 | 89.8 | 165.7 | -77.6 | -173.5 | 176.2 | -175.9 | 0 | 108.3 | G271 E275 | G271-K273 PolarHBondContact O-N 3.13Å; K273-E275 PolarHBondContact O-N 3.18Å | ||
| 274 | H | 39.1 | Very low | 42.5 | Very low | 171 Ų | 171 | 178.4 Ų | 178.4 | 79% | 0.792 | 85% | 0.845 | S | S | * | * | trans | -78.2 | 94.1 | 159.2 | -106.7 | -69 | 0 | 0 | 0 | 109 | D272 K276 | D272-H274 VanDerWaalsContact C-N 3.32Å; D272-H274 PolarHBondContact O-N 3.49Å; H274-K276 PolarHBondContact O-N 3.37Å; H274-K276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | E | 39.5 | Very low | 42.3 | Very low | 175 Ų | 175 | 181.3 Ų | 181.3 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -67.8 | 98.3 | 164.4 | -144.1 | 179.6 | -156.1 | 0 | 0 | 108 | K273 K277 | K273-E275 PolarHBondContact O-N 3.18Å; E275-K277 PolarHBondContact O-N 2.92Å | ||
| 276 | K | 39.8 | Very low | 42 | Very low | 197 Ų | 197 | 179.2 Ų | 179.2 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | trans | -75.7 | 103.7 | 168.9 | -83.3 | -175.8 | 176.4 | 178.1 | 0 | 108.6 | H274 | H274-K276 PolarHBondContact O-N 3.37Å; H274-K276 VanDerWaalsContact O-N 3.1Å | ||
| 277 | K | 40.6 | Very low | 41.8 | Very low | 181 Ų | 181 | 177.9 Ų | 177.9 | 79% | 0.787 | 85% | 0.849 | S | S | * | * | trans | -70 | 150.3 | 158.2 | -84.4 | -178.7 | 173.8 | 175.9 | 0 | 110.8 | E275 | E275-K277 PolarHBondContact O-N 2.92Š| ||
| 278 | K | 38.9 | Very low | 41.5 | Very low | 203 Ų | 203 | 172.4 Ų | 172.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | 89.4 | 131.3 | 169.3 | -56.4 | -179.8 | 176.5 | -179.1 | 0 | 114.2 | ||||
| 279 | K | 35.6 | Very low | 40.9 | Very low | 281 Ų | 281 | 177.3 Ų | 177.3 | 100% | 1.222 | 86% | 0.855 | S | S | * | * | cis | -132.1 | 0 | 19.4 | -86.1 | 176.3 | 169.1 | 177 | 0 | 111.1 |
Retrieved 279 of 279 residues in 54.1 ms
(Link to these results)