| 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 | 64.5 | Low | 89.5 | Confident | 199 Ų | 199 | 60.8 Ų | 60.8 | 98% | 0.98 | 32% | 0.324 | S | S | * | . | 0 | -55.1 | 0 | -159.9 | 163.9 | 73.4 | 0 | 0 | 111.8 | L3 F4 V5 | M1-L3 PolarHBondContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 3.3Å; M1-V5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | T | 78.6 | Confident | 90.2 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.7 | -43.3 | -178 | -40.9 | 0 | 0 | 0 | 0 | 114.6 | V5 S6 I56 | T2-V5 PolarHBondContact O-N 3.07Å; T2-S6 WeakPolarHBondContact O-CB 3.26Å; T2-S6 PolarHBondContact O-N 3.26Å; T2-I56 HydrophobicContact CG2-CG2 4.47Å |
| 3 | L | 85.9 | Confident | 90.8 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.3 | -169.9 | 61.7 | 0 | 0 | 0 | 112.6 | M1 S6 V7 Y83 | M1-L3 PolarHBondContact O-N 3.15Å; L3-S6 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.28Å; L3-Y83 HydrophobicContact CD1-CE2 4.22Å; L3-Y83 WeakPolarHBondContact CD1-OH 3.47Å; L3-Y83 HydrophobicContact CD2-CE2 3.71Å; L3-Y83 HydrophobicContact CG-CE2 3.89Å |
| 4 | F | 88.5 | Confident | 91.3 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.7 | -174 | -86.4 | 0 | 0 | 0 | 111 | M1 S6 V7 C8 S86 | M1-F4 PolarHBondContact O-N 3.09Å; F4-S6 VanDerWaalsContact C-N 3.32Å; F4-S6 PolarHBondContact O-N 3.2Å; F4-V7 PolarHBondContact O-N 3Å; F4-C8 WeakPolarHBondContact O-CB 3.32Å; F4-C8 PolarHBondContact O-N 3.22Å; F4-S86 VanDerWaalsContact CE2-CB 3.44Å; F4-S86 PolarHBondContact O-OG 3Å |
| 5 | V | 92.3 | Very high | 91.8 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | M1 T2 C8 M9 | M1-V5 PolarHBondContact O-N 3.3Å; M1-V5 VanDerWaalsContact O-N 3.14Å; T2-V5 PolarHBondContact O-N 3.07Å; V5-C8 PolarHBondContact O-N 3.16Å; V5-M9 WeakPolarHBondContact O-CB 3.44Å; V5-M9 PolarHBondContact O-N 3.19Å |
| 6 | S | 94.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | T2 L3 F4 C8 M9 C10 T53 S57 | T2-S6 WeakPolarHBondContact O-CB 3.26Å; T2-S6 PolarHBondContact O-N 3.26Å; L3-S6 PolarHBondContact O-N 3.26Å; F4-S6 VanDerWaalsContact C-N 3.32Å; F4-S6 PolarHBondContact O-N 3.2Å; S6-C8 VanDerWaalsContact C-N 3.35Å; S6-C8 PolarHBondContact O-N 3.46Å; S6-M9 PolarHBondContact O-N 3.37Å; S6-C10 VanDerWaalsContact O-CB 3.23Å; S6-C10 WeakPolarHBondContact O-CB 3.36Å; S6-C10 PolarHBondContact O-N 2.9Å; S6-T53 WeakPolarHBondContact OG-CB 3.46Å; S6-S57 PolarHBondContact OG-OG 3.32Å |
| 7 | V | 95.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L3 F4 C10 V11 Y83 S86 Q87 | L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.28Å; F4-V7 PolarHBondContact O-N 3Å; V7-C10 WeakPolarHBondContact O-CB 3.36Å; V7-V11 PolarHBondContact O-N 2.87Å; V7-Y83 HydrophobicContact CG1-CD1 4.22Å; V7-Y83 HydrophobicContact CG2-CD1 3.84Å; V7-Y83 HydrophobicContact CG2-CD2 4.4Å; V7-Y83 HydrophobicContact CG2-CE1 3.54Å; V7-Y83 HydrophobicContact CG2-CE2 4.15Å; V7-Y83 HydrophobicContact CG2-CG 4.27Å; V7-S86 WeakPolarHBondContact CB-OG 3.38Å; V7-Q87 HydrophobicContact CG1-CB 4.48Å; V7-Q87 HydrophobicContact CG1-CG 3.45Å; V7-Q87 VanDerWaalsContact CG1-CG 3.45Å |
| 8 | C | 95.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -51.7 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | F4 V5 S6 C10 V11 C12 S86 G90 | F4-C8 WeakPolarHBondContact O-CB 3.32Å; F4-C8 PolarHBondContact O-N 3.22Å; V5-C8 PolarHBondContact O-N 3.16Å; S6-C8 VanDerWaalsContact C-N 3.35Å; S6-C8 PolarHBondContact O-N 3.46Å; C8-C10 VanDerWaalsContact C-N 3.3Å; C8-C10 PolarHBondContact O-N 3.12Å; C8-V11 PolarHBondContact O-N 3.05Å; C8-C12 WeakPolarHBondContact O-CB 3.3Å; C8-C12 PolarHBondContact O-N 3.39Å; C8-S86 WeakPolarHBondContact CA-O 3.23Å; C8-S86 PolarHBondContact N-OG 3.44Å; C8-G90 WeakPolarHBondContact O-CA 3.49Å; C8-G90 WeakPolarHBondContact SG-CA 3.41Å |
| 9 | M | 96.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 44.5 Ų | 44.5 | 49% | 0.488 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -39.1 | -178.7 | -169.1 | 60.7 | 167 | 0 | 0 | 111.9 | V5 S6 V11 C12 V13 L52 | V5-M9 WeakPolarHBondContact O-CB 3.44Å; V5-M9 PolarHBondContact O-N 3.19Å; S6-M9 PolarHBondContact O-N 3.37Å; M9-V11 PolarHBondContact O-N 3.37Å; M9-C12 PolarHBondContact O-N 3.04Å; M9-V13 HydrophobicContact CE-CG2 4.33Å; M9-V13 HydrophobicContact CG-CG2 4.47Å; M9-V13 WeakPolarHBondContact O-CG2 3.3Å; M9-V13 PolarHBondContact O-N 3.46Å; M9-V13 HydrophobicContact SD-CG2 4.45Å; M9-L52 HydrophobicContact CG-CD2 4.08Å |
| 10 | C | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.2 | -54.7 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | S6 V7 C8 V13 M14 A49 T53 L61 | S6-C10 VanDerWaalsContact O-CB 3.23Å; S6-C10 WeakPolarHBondContact O-CB 3.36Å; S6-C10 PolarHBondContact O-N 2.9Å; V7-C10 WeakPolarHBondContact O-CB 3.36Å; C8-C10 VanDerWaalsContact C-N 3.3Å; C8-C10 PolarHBondContact O-N 3.12Å; C10-V13 PolarHBondContact O-N 3.34Å; C10-M14 PolarHBondContact O-N 3.4Å; C10-A49 WeakPolarHBondContact O-CB 3.19Å; C10-T53 HydrophobicContact CB-CG2 3.81Å; C10-T53 WeakPolarHBondContact CB-OG1 3.3Å; C10-T53 PolarHBondContact SG-OG1 2.94Å; C10-L61 WeakPolarHBondContact SG-CD1 3.39Å; C10-L61 WeakPolarHBondContact SG-CG 3.35Å |
| 11 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.5 | -35.7 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | V7 C8 M9 V13 M14 K15 Q87 A91 | V7-V11 PolarHBondContact O-N 2.87Å; C8-V11 PolarHBondContact O-N 3.05Å; M9-V11 PolarHBondContact O-N 3.37Å; V11-V13 PolarHBondContact O-N 2.98Å; V11-M14 HydrophobicContact CG1-CE 3.94Å; V11-M14 PolarHBondContact O-N 3.4Å; V11-K15 HydrophobicContact CG1-CG 4.46Å; V11-K15 WeakPolarHBondContact O-CG 3.18Å; V11-K15 PolarHBondContact O-N 2.83Å; V11-Q87 WeakPolarHBondContact CG1-O 3.2Å; V11-Q87 HydrophobicContact CG2-CB 3.83Å; V11-Q87 HydrophobicContact CG2-CG 3.75Å; V11-A91 HydrophobicContact CG1-CB 3.6Å |
| 12 | C | 98.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.054 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | C8 M9 K15 L16 G90 G94 | C8-C12 WeakPolarHBondContact O-CB 3.3Å; C8-C12 PolarHBondContact O-N 3.39Å; M9-C12 PolarHBondContact O-N 3.04Å; C12-K15 WeakPolarHBondContact O-CB 3.39Å; C12-K15 PolarHBondContact O-N 2.83Å; C12-K15 VanDerWaalsContact O-N 3.15Å; C12-L16 WeakPolarHBondContact O-CG 3.35Å; C12-L16 PolarHBondContact O-N 3.47Å; C12-G90 VanDerWaalsContact CA-O 3.3Å; C12-G90 WeakPolarHBondContact CA-O 3.37Å; C12-G94 VanDerWaalsContact SG-CA 3.56Å |
| 13 | V | 98.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 27.6 Ų | 27.6 | 12% | 0.121 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | M9 C10 V11 K15 L16 F17 A49 L52 | M9-V13 HydrophobicContact CE-CG2 4.33Å; M9-V13 HydrophobicContact CG-CG2 4.47Å; M9-V13 WeakPolarHBondContact O-CG2 3.3Å; M9-V13 PolarHBondContact O-N 3.46Å; M9-V13 HydrophobicContact SD-CG2 4.45Å; C10-V13 PolarHBondContact O-N 3.34Å; V11-V13 PolarHBondContact O-N 2.98Å; V13-K15 PolarHBondContact O-N 2.91Å; V13-L16 PolarHBondContact O-N 2.99Å; V13-F17 HydrophobicContact CG1-CD2 4.27Å; V13-F17 HydrophobicContact CG1-CE2 4.06Å; V13-F17 WeakPolarHBondContact O-CD2 3.18Å; V13-F17 PolarHBondContact O-N 2.89Å; V13-A49 HydrophobicContact CB-CB 4.3Å; V13-A49 HydrophobicContact CG1-CB 4.25Å; V13-L52 HydrophobicContact CG2-CD2 3.87Å |
| 14 | M | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55 | -39.1 | 175.2 | 180 | -164.3 | 66.3 | 0 | 0 | 111.4 | C10 V11 G18 W42 V46 A49 L61 R197 | C10-M14 PolarHBondContact O-N 3.4Å; V11-M14 HydrophobicContact CG1-CE 3.94Å; V11-M14 PolarHBondContact O-N 3.4Å; M14-G18 PolarHBondContact O-N 3.27Å; M14-W42 HydrophobicContact CE-CZ3 4.24Å; M14-W42 HydrophobicContact CG-CE3 4.24Å; M14-W42 HydrophobicContact CG-CZ3 4.12Å; M14-W42 HydrophobicContact SD-CZ3 4.43Å; M14-V46 HydrophobicContact CG-CG2 3.94Å; M14-V46 HydrophobicContact SD-CG2 3.91Å; M14-A49 HydrophobicContact CB-CB 4.18Å; M14-L61 HydrophobicContact CB-CD2 3.98Å; M14-L61 HydrophobicContact CG-CD2 4.06Å; M14-L61 HydrophobicContact SD-CB 4.34Å; M14-L61 HydrophobicContact SD-CD2 3.64Å; M14-R197 HydrophobicContact CE-CB 4.32Å |
| 15 | K | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 178.2 | -72.6 | -42.2 | -164.4 | 158.8 | 0 | 114.5 | V11 C12 V13 F17 G18 L19 W42 A91 R197 P201 | V11-K15 HydrophobicContact CG1-CG 4.46Å; V11-K15 WeakPolarHBondContact O-CG 3.18Å; V11-K15 PolarHBondContact O-N 2.83Å; C12-K15 WeakPolarHBondContact O-CB 3.39Å; C12-K15 PolarHBondContact O-N 2.83Å; C12-K15 VanDerWaalsContact O-N 3.15Å; V13-K15 PolarHBondContact O-N 2.91Å; K15-F17 VanDerWaalsContact C-N 3.29Å; K15-F17 PolarHBondContact O-N 3Å; K15-G18 PolarHBondContact O-N 3.43Å; K15-L19 HydrophobicContact CB-CD1 4.04Å; K15-L19 HydrophobicContact CB-CG 4.36Å; K15-L19 HydrophobicContact CD-CD1 4Å; K15-L19 HydrophobicContact CD-CD2 4.48Å; K15-L19 HydrophobicContact CD-CG 4.1Å; K15-L19 HydrophobicContact CG-CD1 4.3Å; K15-L19 VanDerWaalsContact O-CB 3.29Å; K15-L19 WeakPolarHBondContact O-CB 2.94Å; K15-L19 WeakPolarHBondContact O-CG 3.49Å; K15-L19 PolarHBondContact O-N 3.08Å; K15-W42 HydrophobicContact CD-CH2 3.79Å; K15-W42 HydrophobicContact CD-CZ3 3.99Å; K15-W42 VanDerWaalsContact NZ-CH2 3.35Å; K15-A91 HydrophobicContact CG-CB 4.07Å; K15-R197 VanDerWaalsContact CE-CA 3.48Å; K15-R197 WeakPolarHBondContact CE-O 3.27Å; K15-R197 VanDerWaalsContact NZ-CA 3.33Å; K15-R197 VanDerWaalsContact NZ-CG 3.32Å; K15-R197 PolarHBondContact NZ-O 2.84Å; K15-P201 HydrophobicContact CD-CG 4.45Å |
| 16 | L | 98.6 | Very high | 97.7 | Very high | 58 Ų | 58 | 23.6 Ų | 23.6 | 30% | 0.304 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 177.9 | -70.7 | 172.8 | 0 | 0 | 0 | 110.7 | C12 V13 S20 L97 V98 | C12-L16 WeakPolarHBondContact O-CG 3.35Å; C12-L16 PolarHBondContact O-N 3.47Å; V13-L16 PolarHBondContact O-N 2.99Å; L16-S20 WeakPolarHBondContact O-CB 3.39Å; L16-S20 PolarHBondContact O-N 3.14Å; L16-S20 PolarHBondContact O-OG 3.32Å; L16-L97 HydrophobicContact CD2-CB 3.74Å; L16-L97 HydrophobicContact CD2-CD1 4.11Å; L16-V98 HydrophobicContact CD2-CG2 4.01Å |
| 17 | F | 98.5 | Very high | 97.9 | Very high | 84 Ų | 84 | 24.2 Ų | 24.2 | 37% | 0.368 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66.8 | -53.7 | 178.1 | -74.6 | -86.3 | 0 | 0 | 0 | 113.1 | V13 K15 A21 S41 V44 | V13-F17 HydrophobicContact CG1-CD2 4.27Å; V13-F17 HydrophobicContact CG1-CE2 4.06Å; V13-F17 WeakPolarHBondContact O-CD2 3.18Å; V13-F17 PolarHBondContact O-N 2.89Å; K15-F17 VanDerWaalsContact C-N 3.29Å; K15-F17 PolarHBondContact O-N 3Å; F17-A21 WeakPolarHBondContact O-CB 3.14Å; F17-A21 PolarHBondContact O-N 3.45Å; F17-S41 WeakPolarHBondContact CB-O 3.36Å; F17-V44 HydrophobicContact CD1-CG1 4.11Å; F17-V44 HydrophobicContact CE1-CG1 3.98Å |
| 18 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M14 K15 A22 W42 | M14-G18 PolarHBondContact O-N 3.27Å; K15-G18 PolarHBondContact O-N 3.43Å; G18-A22 PolarHBondContact O-N 3.23Å; G18-A22 VanDerWaalsContact O-N 3.16Å; G18-W42 VanDerWaalsContact CA-CE2 3.42Å |
| 19 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -77.8 | -34.6 | -177.2 | -52.6 | -178.8 | 0 | 0 | 0 | 111.9 | K15 A21 A22 A23 W42 A95 V98 I125 F126 P201 | K15-L19 HydrophobicContact CB-CD1 4.04Å; K15-L19 HydrophobicContact CB-CG 4.36Å; K15-L19 HydrophobicContact CD-CD1 4Å; K15-L19 HydrophobicContact CD-CD2 4.48Å; K15-L19 HydrophobicContact CD-CG 4.1Å; K15-L19 HydrophobicContact CG-CD1 4.3Å; K15-L19 VanDerWaalsContact O-CB 3.29Å; K15-L19 WeakPolarHBondContact O-CB 2.94Å; K15-L19 WeakPolarHBondContact O-CG 3.49Å; K15-L19 PolarHBondContact O-N 3.08Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.14Å; L19-A22 PolarHBondContact O-N 2.83Å; L19-A23 WeakPolarHBondContact O-CB 3.44Å; L19-A23 PolarHBondContact O-N 2.87Å; L19-W42 HydrophobicContact CD2-CH2 3.71Å; L19-W42 HydrophobicContact CD2-CZ2 3.67Å; L19-W42 HydrophobicContact CG-CH2 4.19Å; L19-W42 HydrophobicContact CG-CZ2 4.42Å; L19-A95 HydrophobicContact CD1-CB 3.61Å; L19-V98 HydrophobicContact CB-CB 4.2Å; L19-V98 HydrophobicContact CB-CG1 3.94Å; L19-V98 HydrophobicContact CB-CG2 4.02Å; L19-I125 WeakPolarHBondContact CD2-O 3.43Å; L19-F126 HydrophobicContact CD1-CD1 4.28Å; L19-P201 HydrophobicContact CD1-CB 4.35Å; L19-P201 HydrophobicContact CD1-CG 4.13Å |
| 20 | S | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 174 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | L16 A23 Q24 V98 Y102 | L16-S20 WeakPolarHBondContact O-CB 3.39Å; L16-S20 PolarHBondContact O-N 3.14Å; L16-S20 PolarHBondContact O-OG 3.32Å; S20-A23 PolarHBondContact O-N 3.24Å; S20-Q24 VanDerWaalsContact O-CB 3.27Å; S20-Q24 WeakPolarHBondContact O-CB 3.37Å; S20-Q24 PolarHBondContact O-N 3.13Å; S20-V98 WeakPolarHBondContact OG-CG2 3.35Å; S20-Y102 PolarHBondContact O-OH 3.22Å |
| 21 | A | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F17 L19 A23 Q24 V25 I38 S41 | F17-A21 WeakPolarHBondContact O-CB 3.14Å; F17-A21 PolarHBondContact O-N 3.45Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.14Å; A21-A23 PolarHBondContact O-N 3Å; A21-Q24 PolarHBondContact O-N 2.84Å; A21-V25 WeakPolarHBondContact O-CG2 3.33Å; A21-V25 PolarHBondContact O-N 3.03Å; A21-I38 HydrophobicContact CB-CG1 4.48Å; A21-S41 VanDerWaalsContact CB-CB 3.42Å; A21-S41 WeakPolarHBondContact CB-OG 3.41Å |
| 22 | A | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G18 L19 V25 K26 I125 | G18-A22 PolarHBondContact O-N 3.23Å; G18-A22 VanDerWaalsContact O-N 3.16Å; L19-A22 PolarHBondContact O-N 2.83Å; A22-V25 PolarHBondContact O-N 2.79Å; A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 2.9Å; A22-I125 HydrophobicContact CB-CG2 4.43Å |
| 23 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | L19 S20 A21 V25 K26 T27 V98 Y102 I125 | L19-A23 WeakPolarHBondContact O-CB 3.44Å; L19-A23 PolarHBondContact O-N 2.87Å; S20-A23 PolarHBondContact O-N 3.24Å; A21-A23 PolarHBondContact O-N 3Å; A23-V25 PolarHBondContact O-N 3Å; A23-K26 PolarHBondContact O-N 2.98Å; A23-T27 WeakPolarHBondContact O-CB 3.48Å; A23-T27 WeakPolarHBondContact O-CG2 3.34Å; A23-T27 PolarHBondContact O-N 3.1Å; A23-T27 PolarHBondContact O-OG1 2.94Å; A23-V98 HydrophobicContact CB-CG1 4.3Å; A23-Y102 HydrophobicContact CB-CD1 3.65Å; A23-Y102 HydrophobicContact CB-CD2 3.85Å; A23-Y102 HydrophobicContact CB-CE1 4.01Å; A23-Y102 HydrophobicContact CB-CE2 4.2Å; A23-Y102 HydrophobicContact CB-CG 3.56Å; A23-I125 HydrophobicContact CB-CD1 4.39Å; A23-I125 HydrophobicContact CB-CG2 3.67Å |
| 24 | Q | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 178.1 | -178.7 | 170.6 | -63.4 | 0 | 0 | 112.2 | S20 A21 S28 K32 Y102 | S20-Q24 VanDerWaalsContact O-CB 3.27Å; S20-Q24 WeakPolarHBondContact O-CB 3.37Å; S20-Q24 PolarHBondContact O-N 3.13Å; A21-Q24 PolarHBondContact O-N 2.84Å; Q24-S28 WeakPolarHBondContact O-CB 3.47Å; Q24-S28 PolarHBondContact O-N 2.98Å; Q24-S28 PolarHBondContact O-OG 3.15Å; Q24-K32 HydrophobicContact CG-CB 3.87Å; Q24-K32 PolarHBondContact NE2-O 3.37Å; Q24-Y102 HydrophobicContact CB-CE1 4.09Å |
| 25 | V | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | A21 A22 A23 R29 E30 G33 I38 | A21-V25 WeakPolarHBondContact O-CG2 3.33Å; A21-V25 PolarHBondContact O-N 3.03Å; A22-V25 PolarHBondContact O-N 2.79Å; A23-V25 PolarHBondContact O-N 3Å; V25-R29 PolarHBondContact O-N 3.07Å; V25-E30 HydrophobicContact CG1-CG 3.89Å; V25-E30 PolarHBondContact O-N 3.45Å; V25-G33 VanDerWaalsContact CG2-C 3.44Å; V25-I38 HydrophobicContact CB-CD1 3.9Å; V25-I38 HydrophobicContact CB-CG1 4.15Å; V25-I38 HydrophobicContact CG1-CD1 4.08Å; V25-I38 HydrophobicContact CG2-CD1 3.94Å; V25-I38 HydrophobicContact CG2-CG1 3.64Å |
| 26 | K | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -57.6 | -176.6 | -167.1 | 84.4 | -178.8 | -176.1 | 0 | 111.8 | A22 A23 S28 R29 F109 E121 I125 | A22-K26 WeakPolarHBondContact O-CB 3.39Å; A22-K26 PolarHBondContact O-N 2.9Å; A23-K26 PolarHBondContact O-N 2.98Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.21Å; K26-R29 PolarHBondContact O-N 3.24Å; K26-R29 VanDerWaalsContact O-N 3.13Å; K26-F109 HydrophobicContact CG-CE1 4.35Å; K26-F109 HydrophobicContact CG-CZ 4.36Å; K26-F109 WeakPolarHBondContact O-CE2 3.4Å; K26-E121 WeakPolarHBondContact CE-O 3.48Å; K26-E121 WeakPolarHBondContact CE-OE1 3.44Å; K26-E121 IonicContact NZ-OE1 2.59Å; K26-E121 PolarHBondContact NZ-OE1 3.39Å; K26-I125 HydrophobicContact CB-CD1 4.11Å; K26-I125 HydrophobicContact CB-CG1 3.9Å; K26-I125 HydrophobicContact CG-CD1 4.14Å; K26-I125 HydrophobicContact CG-CG1 4Å |
| 27 | T | 98.4 | Very high | 98 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.7 | -27.1 | -172.7 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | A23 R29 A105 I106 F109 I125 | A23-T27 WeakPolarHBondContact O-CB 3.48Å; A23-T27 WeakPolarHBondContact O-CG2 3.34Å; A23-T27 PolarHBondContact O-N 3.1Å; A23-T27 PolarHBondContact O-OG1 2.94Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.37Å; T27-A105 HydrophobicContact CG2-CB 4.18Å; T27-I106 HydrophobicContact CG2-CG1 3.96Å; T27-F109 HydrophobicContact CG2-CB 4.21Å; T27-I125 HydrophobicContact CG2-CD1 4.26Å |
| 28 | S | 98.2 | Very high | 98 | Very high | 24 Ų | 24 | 55 Ų | 55 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1.1 | 175 | 75 | 0 | 0 | 0 | 0 | 114.4 | Q24 K26 E30 T31 K32 | Q24-S28 WeakPolarHBondContact O-CB 3.47Å; Q24-S28 PolarHBondContact O-N 2.98Å; Q24-S28 PolarHBondContact O-OG 3.15Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.21Å; S28-E30 PolarHBondContact O-N 2.95Å; S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 WeakPolarHBondContact O-CG2 3.23Å; S28-T31 PolarHBondContact O-N 3.38Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-T31 PolarHBondContact O-OG1 2.91Å; S28-T31 PolarHBondContact OG-N 2.75Å; S28-K32 PolarHBondContact OG-N 3.37Å; S28-K32 VanDerWaalsContact OG-N 3.09Å |
| 29 | R | 97.4 | Very high | 98 | Very high | 178 Ų | 178 | 56 Ų | 56 | 67% | 0.672 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 46.6 | -172.9 | -57.3 | 173 | -178.1 | -93.4 | -3.2 | 111.3 | V25 K26 T27 T31 F109 | V25-R29 PolarHBondContact O-N 3.07Å; K26-R29 PolarHBondContact O-N 3.24Å; K26-R29 VanDerWaalsContact O-N 3.13Å; T27-R29 VanDerWaalsContact C-N 3.29Å; T27-R29 PolarHBondContact O-N 3.37Å; R29-T31 PolarHBondContact O-N 3.48Å; R29-T31 VanDerWaalsContact O-N 3.1Å; R29-F109 HydrophobicContact CG-CD2 4.3Å; R29-F109 HydrophobicContact CG-CE2 3.97Å |
| 30 | E | 97.7 | Very high | 98 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 8.5 | -179.8 | -48.5 | -174.1 | -176.4 | 0 | 0 | 115.9 | V25 S28 K32 G33 | V25-E30 HydrophobicContact CG1-CG 3.89Å; V25-E30 PolarHBondContact O-N 3.45Å; S28-E30 PolarHBondContact O-N 2.95Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 2.91Å; E30-G33 CarbonylContact C-O 3.59Å; E30-G33 WeakPolarHBondContact CA-O 3.41Å |
| 31 | T | 98 | Very high | 98 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 66% | 0.663 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -17.1 | 178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | S28 R29 | S28-T31 WeakPolarHBondContact O-CB 3.36Å; S28-T31 WeakPolarHBondContact O-CG2 3.23Å; S28-T31 PolarHBondContact O-N 3.38Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-T31 PolarHBondContact O-OG1 2.91Å; S28-T31 PolarHBondContact OG-N 2.75Å; R29-T31 PolarHBondContact O-N 3.48Å; R29-T31 VanDerWaalsContact O-N 3.1Å |
| 32 | K | 97.6 | Very high | 98 | Very high | 148 Ų | 148 | 61 Ų | 61 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 9 | 177.6 | -58.9 | -63.3 | -178.1 | -177.6 | 0 | 113.3 | Q24 S28 E30 | Q24-K32 HydrophobicContact CG-CB 3.87Å; Q24-K32 PolarHBondContact NE2-O 3.37Å; S28-K32 PolarHBondContact OG-N 3.37Å; S28-K32 VanDerWaalsContact OG-N 3.09Å; E30-K32 VanDerWaalsContact C-N 3.32Å; E30-K32 PolarHBondContact O-N 2.91Å |
| 33 | G | 97.4 | Very high | 98 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | trans | 169.2 | 168.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V25 E30 | V25-G33 VanDerWaalsContact CG2-C 3.44Å; E30-G33 CarbonylContact C-O 3.59Å; E30-G33 WeakPolarHBondContact CA-O 3.41Å | ||
| 34 | Q | 96.9 | Very high | 98 | Very high | 128 Ų | 128 | 63.6 Ų | 63.6 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | trans | -132.3 | 173.1 | -178.8 | -66 | 179.7 | -14.9 | 0 | 0 | 110.8 | L36 S37 I38 | Q34-L36 PolarHBondContact O-N 3.34Å; Q34-L36 VanDerWaalsContact O-N 3.09Å; Q34-S37 PolarHBondContact N-OG 3.18Å; Q34-S37 WeakPolarHBondContact O-CA 3.48Å; Q34-S37 WeakPolarHBondContact O-CB 3.49Å; Q34-S37 PolarHBondContact O-N 2.94Å; Q34-S37 PolarHBondContact O-OG 2.81Å; Q34-I38 PolarHBondContact O-N 2.74Å | ||
| 35 | T | 96.1 | Very high | 98 | Very high | 73 Ų | 73 | 60 Ų | 60 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -48.6 | -39.7 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | S37 I38 H39 | T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 2.71Å; T35-I38 WeakPolarHBondContact O-CB 3.26Å; T35-I38 PolarHBondContact O-N 3.07Å; T35-I38 VanDerWaalsContact O-N 3.14Å; T35-H39 VanDerWaalsContact CG2-CE1 3.49Å; T35-H39 WeakPolarHBondContact CG2-CE1 3.26Å; T35-H39 PolarHBondContact O-N 3.36Å |
| 36 | L | 97 | Very high | 97.9 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 175 | -178.9 | 60.7 | 0 | 0 | 0 | 112.8 | Q34 I38 H39 L40 M183 | Q34-L36 PolarHBondContact O-N 3.34Å; Q34-L36 VanDerWaalsContact O-N 3.09Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.26Å; L36-H39 PolarHBondContact O-N 3.19Å; L36-L40 HydrophobicContact CD1-CD1 4.36Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CG-CD1 4.03Å; L36-L40 HydrophobicContact CG-CG 4.43Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.27Å; L36-M183 HydrophobicContact CD1-CE 3.77Å; L36-M183 HydrophobicContact CD1-SD 3.99Å |
| 37 | S | 97.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -33.2 | 176.9 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | Q34 T35 S41 | Q34-S37 PolarHBondContact N-OG 3.18Å; Q34-S37 WeakPolarHBondContact O-CA 3.48Å; Q34-S37 WeakPolarHBondContact O-CB 3.49Å; Q34-S37 PolarHBondContact O-N 2.94Å; Q34-S37 PolarHBondContact O-OG 2.81Å; T35-S37 VanDerWaalsContact C-N 3.31Å; T35-S37 PolarHBondContact O-N 2.71Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.28Å; S37-S41 PolarHBondContact O-OG 3.43Å |
| 38 | I | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 171.3 | -58.9 | 174.7 | 0 | 0 | 0 | 109.1 | A21 V25 Q34 T35 L36 S41 W42 | A21-I38 HydrophobicContact CB-CG1 4.48Å; V25-I38 HydrophobicContact CB-CD1 3.9Å; V25-I38 HydrophobicContact CB-CG1 4.15Å; V25-I38 HydrophobicContact CG1-CD1 4.08Å; V25-I38 HydrophobicContact CG2-CD1 3.94Å; V25-I38 HydrophobicContact CG2-CG1 3.64Å; Q34-I38 PolarHBondContact O-N 2.74Å; T35-I38 WeakPolarHBondContact O-CB 3.26Å; T35-I38 PolarHBondContact O-N 3.07Å; T35-I38 VanDerWaalsContact O-N 3.14Å; L36-I38 VanDerWaalsContact C-N 3.32Å; L36-I38 PolarHBondContact O-N 3.26Å; I38-S41 PolarHBondContact O-N 3.26Å; I38-W42 PolarHBondContact O-N 3.07Å |
| 39 | H | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | -179.2 | -63.5 | 169.3 | 0 | 0 | 0 | 112.6 | T35 L36 S41 W42 A43 L179 I182 M183 S186 | T35-H39 VanDerWaalsContact CG2-CE1 3.49Å; T35-H39 WeakPolarHBondContact CG2-CE1 3.26Å; T35-H39 PolarHBondContact O-N 3.36Å; L36-H39 PolarHBondContact O-N 3.19Å; H39-S41 VanDerWaalsContact C-N 3.28Å; H39-S41 PolarHBondContact O-N 3.03Å; H39-W42 PolarHBondContact O-N 2.95Å; H39-A43 PolarHBondContact O-N 3.43Å; H39-A43 VanDerWaalsContact O-N 3.1Å; H39-L179 HydrophobicContact CB-CD1 3.86Å; H39-I182 HydrophobicContact CB-CD1 3.79Å; H39-I182 HydrophobicContact CB-CG1 3.83Å; H39-I182 PolarHBondContact CE1-O 3.26Å; H39-I182 PolarHBondContact NE2-O 2.76Å; H39-I182 WeakPolarHBondContact O-CD1 3.48Å; H39-M183 HydrophobicContact CB-CG 4.01Å; H39-S186 PolarHBondContact CE1-OG 2.73Å; H39-S186 PolarHBondContact NE2-OG 3.14Å |
| 40 | L | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 176.1 | -71.9 | 169.5 | 0 | 0 | 0 | 111.6 | L36 A43 V44 L179 | L36-L40 HydrophobicContact CD1-CD1 4.36Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CG-CD1 4.03Å; L36-L40 HydrophobicContact CG-CG 4.43Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.27Å; L40-A43 PolarHBondContact O-N 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 3.16Å; L40-L179 HydrophobicContact CD2-CD1 4.12Å; L40-L179 HydrophobicContact CD2-CD2 3.9Å; L40-L179 HydrophobicContact CG-CD1 4.49Å |
| 41 | S | 98.5 | Very high | 97.8 | Very high | 33 Ų | 33 | 52 Ų | 52 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | F17 A21 S37 I38 H39 A43 V44 G45 | F17-S41 WeakPolarHBondContact CB-O 3.36Å; A21-S41 VanDerWaalsContact CB-CB 3.42Å; A21-S41 WeakPolarHBondContact CB-OG 3.41Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.28Å; S37-S41 PolarHBondContact O-OG 3.43Å; I38-S41 PolarHBondContact O-N 3.26Å; H39-S41 VanDerWaalsContact C-N 3.28Å; H39-S41 PolarHBondContact O-N 3.03Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3Å; S41-V44 PolarHBondContact O-N 2.85Å; S41-G45 PolarHBondContact O-N 3.21Å |
| 42 | W | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 8% | 0.076 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 171.8 | -82.7 | 107.8 | 0 | 0 | 0 | 111.9 | M14 K15 G18 L19 I38 H39 G45 V46 I182 R197 | M14-W42 HydrophobicContact CE-CZ3 4.24Å; M14-W42 HydrophobicContact CG-CE3 4.24Å; M14-W42 HydrophobicContact CG-CZ3 4.12Å; M14-W42 HydrophobicContact SD-CZ3 4.43Å; K15-W42 HydrophobicContact CD-CH2 3.79Å; K15-W42 HydrophobicContact CD-CZ3 3.99Å; K15-W42 VanDerWaalsContact NZ-CH2 3.35Å; G18-W42 VanDerWaalsContact CA-CE2 3.42Å; L19-W42 HydrophobicContact CD2-CH2 3.71Å; L19-W42 HydrophobicContact CD2-CZ2 3.67Å; L19-W42 HydrophobicContact CG-CH2 4.19Å; L19-W42 HydrophobicContact CG-CZ2 4.42Å; I38-W42 PolarHBondContact O-N 3.07Å; H39-W42 PolarHBondContact O-N 2.95Å; W42-G45 PolarHBondContact O-N 3.27Å; W42-V46 WeakPolarHBondContact O-CG2 3.21Å; W42-V46 PolarHBondContact O-N 3.1Å; W42-I182 HydrophobicContact CB-CD1 3.76Å; W42-I182 HydrophobicContact CG-CD1 4.44Å; W42-R197 HydrophobicContact CH2-CG 4.18Å; W42-R197 VanDerWaalsContact CZ2-NH2 3.32Å; W42-R197 HydrophobicContact CZ3-CG 4.17Å |
| 43 | A | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -47.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H39 L40 S41 G45 V46 M47 A175 L179 | H39-A43 PolarHBondContact O-N 3.43Å; H39-A43 VanDerWaalsContact O-N 3.1Å; L40-A43 PolarHBondContact O-N 3.32Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3Å; A43-G45 VanDerWaalsContact C-N 3.3Å; A43-G45 PolarHBondContact O-N 2.92Å; A43-V46 PolarHBondContact O-N 3.46Å; A43-M47 PolarHBondContact O-N 3.36Å; A43-A175 HydrophobicContact CB-CB 4.42Å; A43-A175 WeakPolarHBondContact CB-O 3.43Å; A43-A175 VanDerWaalsContact O-CB 3.24Å; A43-A175 WeakPolarHBondContact O-CB 3.33Å; A43-L179 HydrophobicContact CB-CB 3.74Å; A43-L179 HydrophobicContact CB-CD1 4.13Å; A43-L179 HydrophobicContact CB-CD2 4.48Å; A43-L179 HydrophobicContact CB-CG 4.33Å |
| 44 | V | 98.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | F17 L40 S41 V46 M47 S48 | F17-V44 HydrophobicContact CD1-CG1 4.11Å; F17-V44 HydrophobicContact CE1-CG1 3.98Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 3.16Å; S41-V44 PolarHBondContact O-N 2.85Å; V44-V46 PolarHBondContact O-N 2.91Å; V44-M47 WeakPolarHBondContact O-CB 3.06Å; V44-M47 PolarHBondContact O-N 3.42Å; V44-S48 WeakPolarHBondContact O-CB 3.39Å; V44-S48 PolarHBondContact O-N 3.26Å; V44-S48 PolarHBondContact O-OG 2.99Å; V44-S48 VanDerWaalsContact O-OG 3.13Å |
| 45 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S41 W42 A43 A49 | S41-G45 PolarHBondContact O-N 3.21Å; W42-G45 PolarHBondContact O-N 3.27Å; A43-G45 VanDerWaalsContact C-N 3.3Å; A43-G45 PolarHBondContact O-N 2.92Å; G45-A49 WeakPolarHBondContact O-CB 3.33Å; G45-A49 PolarHBondContact O-N 2.85Å |
| 46 | V | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.4 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | M14 W42 A43 V44 T50 L61 V174 V178 | M14-V46 HydrophobicContact CG-CG2 3.94Å; M14-V46 HydrophobicContact SD-CG2 3.91Å; W42-V46 WeakPolarHBondContact O-CG2 3.21Å; W42-V46 PolarHBondContact O-N 3.1Å; A43-V46 PolarHBondContact O-N 3.46Å; V44-V46 PolarHBondContact O-N 2.91Å; V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.49Å; V46-T50 PolarHBondContact O-N 3.48Å; V46-T50 PolarHBondContact O-OG1 3.39Å; V46-L61 HydrophobicContact CB-CD2 4.41Å; V46-L61 HydrophobicContact CG1-CD2 4.32Å; V46-L61 HydrophobicContact CG2-CD2 4.22Å; V46-V174 HydrophobicContact CG1-CG1 4.06Å; V46-V178 HydrophobicContact CG1-CG2 4.47Å; V46-V178 HydrophobicContact CG2-CG1 4.37Å |
| 47 | M | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 42.7 Ų | 42.7 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -52.5 | 178.6 | -174.2 | 173.9 | 60.5 | 0 | 0 | 111.6 | A43 V44 T50 Y51 A171 P172 A175 | A43-M47 PolarHBondContact O-N 3.36Å; V44-M47 WeakPolarHBondContact O-CB 3.06Å; V44-M47 PolarHBondContact O-N 3.42Å; M47-T50 WeakPolarHBondContact O-CB 3.33Å; M47-T50 PolarHBondContact O-N 3.22Å; M47-Y51 HydrophobicContact CG-CD2 3.85Å; M47-Y51 HydrophobicContact CG-CE2 3.67Å; M47-Y51 WeakPolarHBondContact O-CD2 3.33Å; M47-Y51 PolarHBondContact O-N 2.88Å; M47-Y51 HydrophobicContact SD-CE2 4.21Å; M47-A171 HydrophobicContact CG-CB 4.38Å; M47-P172 HydrophobicContact SD-CB 3.82Å; M47-A175 HydrophobicContact CB-CB 3.72Å; M47-A175 HydrophobicContact CG-CB 4.5Å |
| 48 | S | 98.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 43 Ų | 43 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | -178.6 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | V44 T50 Y51 L52 | V44-S48 WeakPolarHBondContact O-CB 3.39Å; V44-S48 PolarHBondContact O-N 3.26Å; V44-S48 PolarHBondContact O-OG 2.99Å; V44-S48 VanDerWaalsContact O-OG 3.13Å; S48-T50 VanDerWaalsContact C-N 3.29Å; S48-T50 PolarHBondContact O-N 2.9Å; S48-Y51 PolarHBondContact O-N 3.16Å; S48-L52 WeakPolarHBondContact O-CB 3.19Å; S48-L52 PolarHBondContact O-N 2.99Å |
| 49 | A | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C10 V13 M14 G45 T53 L61 | C10-A49 WeakPolarHBondContact O-CB 3.19Å; V13-A49 HydrophobicContact CB-CB 4.3Å; V13-A49 HydrophobicContact CG1-CB 4.25Å; M14-A49 HydrophobicContact CB-CB 4.18Å; G45-A49 WeakPolarHBondContact O-CB 3.33Å; G45-A49 PolarHBondContact O-N 2.85Å; A49-T53 PolarHBondContact O-N 3.07Å; A49-T53 PolarHBondContact O-OG1 3.29Å; A49-L61 HydrophobicContact CB-CD2 3.88Å |
| 50 | T | 96.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -53.7 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | V46 M47 S48 L52 T53 K54 A59 A171 | V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.49Å; V46-T50 PolarHBondContact O-N 3.48Å; V46-T50 PolarHBondContact O-OG1 3.39Å; M47-T50 WeakPolarHBondContact O-CB 3.33Å; M47-T50 PolarHBondContact O-N 3.22Å; S48-T50 VanDerWaalsContact C-N 3.29Å; S48-T50 PolarHBondContact O-N 2.9Å; T50-L52 VanDerWaalsContact C-N 3.27Å; T50-L52 PolarHBondContact O-N 3.05Å; T50-T53 PolarHBondContact O-N 3.43Å; T50-K54 HydrophobicContact CG2-CB 4.24Å; T50-K54 HydrophobicContact CG2-CD 4.3Å; T50-K54 WeakPolarHBondContact O-CA 3.49Å; T50-K54 WeakPolarHBondContact O-CB 3.49Å; T50-K54 PolarHBondContact O-N 3.29Å; T50-A59 HydrophobicContact CG2-CB 4.04Å; T50-A171 HydrophobicContact CG2-CB 3.66Å |
| 51 | Y | 96.4 | Very high | 96 | Very high | 127 Ų | 127 | 38.5 Ų | 38.5 | 50% | 0.498 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.3 | -39 | 178 | -79.5 | -55.6 | 0 | 0 | 0 | 113.2 | M47 S48 T53 D168 A171 P172 | M47-Y51 HydrophobicContact CG-CD2 3.85Å; M47-Y51 HydrophobicContact CG-CE2 3.67Å; M47-Y51 WeakPolarHBondContact O-CD2 3.33Å; M47-Y51 PolarHBondContact O-N 2.88Å; M47-Y51 HydrophobicContact SD-CE2 4.21Å; S48-Y51 PolarHBondContact O-N 3.16Å; Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.38Å; Y51-D168 PolarHBondContact OH-O 3.48Å; Y51-A171 HydrophobicContact CD1-CB 4Å; Y51-A171 HydrophobicContact CD2-CB 3.95Å; Y51-A171 HydrophobicContact CE1-CB 3.82Å; Y51-A171 HydrophobicContact CE2-CB 3.79Å; Y51-A171 HydrophobicContact CG-CB 4.07Å; Y51-P172 VanDerWaalsContact OH-CD 3.23Å; Y51-P172 WeakPolarHBondContact OH-CD 3.49Å |
| 52 | L | 95.4 | Very high | 96 | Very high | 97 Ų | 97 | 37.2 Ų | 37.2 | 51% | 0.508 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -33.8 | -179.2 | -177.6 | 67.6 | 0 | 0 | 0 | 113 | M9 V13 S48 T50 | M9-L52 HydrophobicContact CG-CD2 4.08Å; V13-L52 HydrophobicContact CG2-CD2 3.87Å; S48-L52 WeakPolarHBondContact O-CB 3.19Å; S48-L52 PolarHBondContact O-N 2.99Å; T50-L52 VanDerWaalsContact C-N 3.27Å; T50-L52 PolarHBondContact O-N 3.05Å |
| 53 | T | 95.3 | Very high | 96 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -128.6 | -7.6 | -164.1 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | S6 C10 A49 T50 Y51 G55 I56 S57 A59 | S6-T53 WeakPolarHBondContact OG-CB 3.46Å; C10-T53 HydrophobicContact CB-CG2 3.81Å; C10-T53 WeakPolarHBondContact CB-OG1 3.3Å; C10-T53 PolarHBondContact SG-OG1 2.94Å; A49-T53 PolarHBondContact O-N 3.07Å; A49-T53 PolarHBondContact O-OG1 3.29Å; T50-T53 PolarHBondContact O-N 3.43Å; Y51-T53 VanDerWaalsContact C-N 3.29Å; Y51-T53 PolarHBondContact O-N 3.38Å; T53-G55 VanDerWaalsContact C-N 3.3Å; T53-G55 PolarHBondContact O-N 3.32Å; T53-I56 PolarHBondContact O-N 3.17Å; T53-S57 PolarHBondContact O-N 2.97Å; T53-S57 PolarHBondContact O-OG 3.34Å; T53-A59 WeakPolarHBondContact OG1-CB 3.3Å |
| 54 | K | 91.8 | Very high | 96 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.6 | -43.6 | -177.7 | 178 | -180 | 178.1 | -171.9 | 0 | 112.4 | T50 I56 G58 A59 P167 | T50-K54 HydrophobicContact CG2-CB 4.24Å; T50-K54 HydrophobicContact CG2-CD 4.3Å; T50-K54 WeakPolarHBondContact O-CA 3.49Å; T50-K54 WeakPolarHBondContact O-CB 3.49Å; T50-K54 PolarHBondContact O-N 3.29Å; K54-I56 PolarHBondContact O-N 3.06Å; K54-G58 VanDerWaalsContact O-CA 3.26Å; K54-G58 WeakPolarHBondContact O-CA 3.35Å; K54-G58 PolarHBondContact O-N 3.45Å; K54-A59 HydrophobicContact CB-CB 4.2Å; K54-P167 PolarHBondContact NZ-O 2.93Å |
| 55 | G | 91.1 | Very high | 96 | Very high | 85 Ų | 85 | 34 Ų | 34 | 88% | 0.876 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -69.1 | -11.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T53 | T53-G55 VanDerWaalsContact C-N 3.3Å; T53-G55 PolarHBondContact O-N 3.32Å |
| 56 | I | 93.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 34 Ų | 34 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -111.3 | -50.2 | -176.2 | -54.4 | 171.1 | 0 | 0 | 0 | 111 | T2 T53 K54 | T2-I56 HydrophobicContact CG2-CG2 4.47Å; T53-I56 PolarHBondContact O-N 3.17Å; K54-I56 PolarHBondContact O-N 3.06Å |
| 57 | S | 92.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -118.3 | 2.2 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | S6 T53 A59 Y83 | S6-S57 PolarHBondContact OG-OG 3.32Å; T53-S57 PolarHBondContact O-N 2.97Å; T53-S57 PolarHBondContact O-OG 3.34Å; S57-A59 PolarHBondContact O-N 3.32Å; S57-Y83 PolarHBondContact O-OH 3.17Å |
| 58 | G | 91.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 42% | 0.423 | 20% | 0.195 | S | C | . | . | trans | 73.2 | -3.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K54 | K54-G58 VanDerWaalsContact O-CA 3.26Å; K54-G58 WeakPolarHBondContact O-CA 3.35Å; K54-G58 PolarHBondContact O-N 3.45Å | ||
| 59 | A | 94.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | trans | 48 | 63.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T50 T53 K54 S57 L61 | T50-A59 HydrophobicContact CG2-CB 4.04Å; T53-A59 WeakPolarHBondContact OG1-CB 3.3Å; K54-A59 HydrophobicContact CB-CB 4.2Å; S57-A59 PolarHBondContact O-N 3.32Å; A59-L61 HydrophobicContact CB-CD1 3.76Å; A59-L61 WeakPolarHBondContact O-CD1 3.32Å | ||
| 60 | H | 96.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | trans | -71.9 | -31.2 | 177.2 | -63.3 | -177.7 | 0 | 0 | 0 | 113 | N62 V65 S66 F69 Y83 | H60-N62 WeakPolarHBondContact O-CB 3.4Å; H60-N62 PolarHBondContact O-N 2.77Å; H60-V65 HydrophobicContact CB-CG1 4.31Å; H60-S66 VanDerWaalsContact CB-OG 3.3Å; H60-S66 WeakPolarHBondContact CB-OG 3.43Å; H60-S66 PolarHBondContact ND1-OG 3.47Å; H60-S66 VanDerWaalsContact ND1-OG 3.16Å; H60-F69 AromaticContact CD2-CD2 3.88Å; H60-F69 AromaticContact CE1-CD2 3.69Å; H60-F69 AromaticContact NE2-CD2 3.32Å; H60-F69 VanDerWaalsContact NE2-CD2 3.32Å; H60-F69 WeakPolarHBondContact NE2-CD2 3.37Å; H60-F69 AromaticContact NE2-CE2 3.85Å; H60-Y83 AromaticContact CE1-CE1 4Å; H60-Y83 AromaticContact ND1-CD1 3.83Å; H60-Y83 AromaticContact ND1-CE1 3.65Å | ||
| 61 | L | 96.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | trans | 55 | -13.5 | -175.9 | -69.1 | 78.2 | 0 | 0 | 0 | 116.6 | C10 M14 V46 A49 A59 N194 | C10-L61 WeakPolarHBondContact SG-CD1 3.39Å; C10-L61 WeakPolarHBondContact SG-CG 3.35Å; M14-L61 HydrophobicContact CB-CD2 3.98Å; M14-L61 HydrophobicContact CG-CD2 4.06Å; M14-L61 HydrophobicContact SD-CB 4.34Å; M14-L61 HydrophobicContact SD-CD2 3.64Å; V46-L61 HydrophobicContact CB-CD2 4.41Å; V46-L61 HydrophobicContact CG1-CD2 4.32Å; V46-L61 HydrophobicContact CG2-CD2 4.22Å; A49-L61 HydrophobicContact CB-CD2 3.88Å; A59-L61 HydrophobicContact CB-CD1 3.76Å; A59-L61 WeakPolarHBondContact O-CD1 3.32Å; L61-N194 PolarHBondContact O-ND2 3.39Å | ||
| 62 | N | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -142.6 | 124.7 | -160.6 | -176.1 | -13.9 | 0 | 0 | 0 | 110.1 | H60 A64 V65 S66 L193 N194 P195 | H60-N62 WeakPolarHBondContact O-CB 3.4Å; H60-N62 PolarHBondContact O-N 2.77Å; N62-A64 PolarHBondContact O-N 3.5Å; N62-A64 WeakPolarHBondContact OD1-CB 2.97Å; N62-A64 PolarHBondContact OD1-N 2.95Å; N62-V65 HydrophobicContact CB-CB 4.02Å; N62-V65 HydrophobicContact CB-CG2 3.78Å; N62-V65 PolarHBondContact O-N 3.44Å; N62-S66 PolarHBondContact O-N 3.27Å; N62-S66 PolarHBondContact O-OG 3.13Å; N62-L193 PolarHBondContact ND2-O 3.22Å; N62-N194 HydrophobicContact CB-CB 4.19Å; N62-N194 WeakPolarHBondContact CB-ND2 3.16Å; N62-N194 VanDerWaalsContact CG-CG 3.45Å; N62-N194 WeakPolarHBondContact ND2-CB 3.47Å; N62-N194 WeakPolarHBondContact OD1-CA 3.48Å; N62-P195 VanDerWaalsContact OD1-CD 3.24Å; N62-P195 WeakPolarHBondContact OD1-CD 3.28Å |
| 63 | P | 98.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.3 | -37.2 | 173.6 | -32.3 | 38.7 | 0 | 0 | 0 | 113.7 | S66 L67 C84 Q87 N194 P195 A196 | P63-S66 PolarHBondContact O-N 3.19Å; P63-L67 PolarHBondContact O-N 2.9Å; P63-C84 HydrophobicContact CB-CB 4.42Å; P63-C84 HydrophobicContact CG-CB 4.47Å; P63-Q87 VanDerWaalsContact CG-OE1 3.25Å; P63-N194 VanDerWaalsContact CD-OD1 3.28Å; P63-N194 WeakPolarHBondContact CD-OD1 3.31Å; P63-P195 HydrophobicContact CB-CB 4.12Å; P63-P195 HydrophobicContact CB-CG 4.16Å; P63-P195 HydrophobicContact CG-CB 4.04Å; P63-P195 HydrophobicContact CG-CG 4.5Å; P63-A196 HydrophobicContact CG-CB 3.72Å |
| 64 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N62 S66 L67 C68 T147 P229 I230 A233 | N62-A64 PolarHBondContact O-N 3.5Å; N62-A64 WeakPolarHBondContact OD1-CB 2.97Å; N62-A64 PolarHBondContact OD1-N 2.95Å; A64-S66 VanDerWaalsContact C-N 3.34Å; A64-L67 PolarHBondContact O-N 3.42Å; A64-C68 PolarHBondContact O-N 3.42Å; A64-C68 VanDerWaalsContact O-N 3.12Å; A64-C68 PolarHBondContact O-SG 2.94Å; A64-T147 HydrophobicContact CB-CG2 4.38Å; A64-P229 HydrophobicContact CB-CB 4.33Å; A64-I230 HydrophobicContact CB-CG1 4.43Å; A64-A233 HydrophobicContact CB-CB 3.71Å |
| 65 | V | 98.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 172.9 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | H60 N62 L67 C68 F69 L151 I154 | H60-V65 HydrophobicContact CB-CG1 4.31Å; N62-V65 HydrophobicContact CB-CB 4.02Å; N62-V65 HydrophobicContact CB-CG2 3.78Å; N62-V65 PolarHBondContact O-N 3.44Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.96Å; V65-C68 PolarHBondContact O-N 3.21Å; V65-F69 HydrophobicContact CG1-CD1 4.15Å; V65-F69 HydrophobicContact CG1-CE1 3.91Å; V65-F69 HydrophobicContact CG1-CZ 4.1Å; V65-F69 WeakPolarHBondContact O-CD1 3.16Å; V65-F69 PolarHBondContact O-N 3.32Å; V65-L151 HydrophobicContact CG2-CD1 4.32Å; V65-L151 HydrophobicContact CG2-CD2 4.04Å; V65-I154 HydrophobicContact CG1-CD1 4.4Å; V65-I154 HydrophobicContact CG2-CD1 4.26Å |
| 66 | S | 98 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 112 | H60 N62 P63 A64 F69 C70 Q87 | H60-S66 VanDerWaalsContact CB-OG 3.3Å; H60-S66 WeakPolarHBondContact CB-OG 3.43Å; H60-S66 PolarHBondContact ND1-OG 3.47Å; H60-S66 VanDerWaalsContact ND1-OG 3.16Å; N62-S66 PolarHBondContact O-N 3.27Å; N62-S66 PolarHBondContact O-OG 3.13Å; P63-S66 PolarHBondContact O-N 3.19Å; A64-S66 VanDerWaalsContact C-N 3.34Å; S66-F69 PolarHBondContact O-N 2.69Å; S66-C70 PolarHBondContact O-N 3.4Å; S66-Q87 PolarHBondContact OG-NE2 2.91Å |
| 67 | L | 98.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 174 | 175.7 | 65.6 | 0 | 0 | 0 | 111.8 | P63 A64 V65 F69 C70 I71 W77 L80 I230 L234 | P63-L67 PolarHBondContact O-N 2.9Å; A64-L67 PolarHBondContact O-N 3.42Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.96Å; L67-F69 PolarHBondContact O-N 2.92Å; L67-C70 WeakPolarHBondContact O-CB 3.33Å; L67-C70 PolarHBondContact O-N 3.05Å; L67-I71 HydrophobicContact CD1-CD1 4.37Å; L67-I71 HydrophobicContact CG-CD1 4.2Å; L67-I71 PolarHBondContact O-N 3.31Å; L67-W77 HydrophobicContact CD1-CH2 4.16Å; L67-W77 HydrophobicContact CD1-CZ3 3.92Å; L67-L80 HydrophobicContact CB-CD1 4.28Å; L67-L80 HydrophobicContact CD1-CD2 3.69Å; L67-I230 HydrophobicContact CD2-CG2 3.63Å; L67-L234 HydrophobicContact CD2-CD2 4.2Å; L67-L234 HydrophobicContact CD2-CG 4.48Å; L67-L234 HydrophobicContact CG-CD2 4.49Å |
| 68 | C | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 176.4 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | A64 V65 C70 I71 L72 L151 A233 T237 | A64-C68 PolarHBondContact O-N 3.42Å; A64-C68 VanDerWaalsContact O-N 3.12Å; A64-C68 PolarHBondContact O-SG 2.94Å; V65-C68 PolarHBondContact O-N 3.21Å; C68-C70 VanDerWaalsContact C-N 3.31Å; C68-C70 PolarHBondContact O-N 2.94Å; C68-I71 PolarHBondContact O-N 3.02Å; C68-L72 VanDerWaalsContact O-CG 3.3Å; C68-L72 WeakPolarHBondContact O-CG 3.17Å; C68-L72 PolarHBondContact O-N 2.85Å; C68-L151 HydrophobicContact CB-CD1 3.95Å; C68-A233 VanDerWaalsContact SG-CB 3.51Å; C68-A233 PolarHBondContact SG-O 2.96Å; C68-A233 VanDerWaalsContact SG-O 3.35Å; C68-T237 PolarHBondContact SG-OG1 2.84Å |
| 69 | F | 96.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -29.6 | 178.3 | -79 | 27.4 | 0 | 0 | 0 | 111.9 | H60 V65 S66 L67 G73 K74 L75 L155 | H60-F69 AromaticContact CD2-CD2 3.88Å; H60-F69 AromaticContact CE1-CD2 3.69Å; H60-F69 AromaticContact NE2-CD2 3.32Å; H60-F69 VanDerWaalsContact NE2-CD2 3.32Å; H60-F69 WeakPolarHBondContact NE2-CD2 3.37Å; H60-F69 AromaticContact NE2-CE2 3.85Å; V65-F69 HydrophobicContact CG1-CD1 4.15Å; V65-F69 HydrophobicContact CG1-CE1 3.91Å; V65-F69 HydrophobicContact CG1-CZ 4.1Å; V65-F69 WeakPolarHBondContact O-CD1 3.16Å; V65-F69 PolarHBondContact O-N 3.32Å; S66-F69 PolarHBondContact O-N 2.69Å; L67-F69 PolarHBondContact O-N 2.92Å; F69-G73 PolarHBondContact O-N 3.2Å; F69-K74 HydrophobicContact CB-CB 4Å; F69-K74 HydrophobicContact CD2-CB 4.17Å; F69-K74 HydrophobicContact CG-CB 4.16Å; F69-K74 CarbonylContact O-C 3.56Å; F69-K74 WeakPolarHBondContact O-CA 3.26Å; F69-K74 PolarHBondContact O-N 2.92Å; F69-L75 HydrophobicContact CB-CB 4.13Å; F69-L75 PolarHBondContact O-N 3.49Å; F69-L155 HydrophobicContact CE1-CD2 4.16Å |
| 70 | C | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 168.2 | -75.3 | 0 | 0 | 0 | 0 | 112.3 | S66 L67 C68 L72 G73 L75 W77 | S66-C70 PolarHBondContact O-N 3.4Å; L67-C70 WeakPolarHBondContact O-CB 3.33Å; L67-C70 PolarHBondContact O-N 3.05Å; C68-C70 VanDerWaalsContact C-N 3.31Å; C68-C70 PolarHBondContact O-N 2.94Å; C70-L72 VanDerWaalsContact C-N 3.31Å; C70-L72 PolarHBondContact O-N 3.38Å; C70-G73 PolarHBondContact O-N 2.89Å; C70-G73 VanDerWaalsContact O-N 3.1Å; C70-L75 WeakPolarHBondContact CA-O 3.47Å; C70-W77 HydrophobicContact CB-CD2 3.9Å; C70-W77 HydrophobicContact CB-CE3 3.93Å; C70-W77 HydrophobicContact CB-CH2 4.11Å; C70-W77 HydrophobicContact CB-CZ2 4.06Å; C70-W77 HydrophobicContact CB-CZ3 4.04Å |
| 71 | I | 96.4 | Very high | 96.7 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.5 | -67.8 | 168.3 | 0 | 0 | 0 | 111 | L67 C68 G73 W77 L234 | L67-I71 HydrophobicContact CD1-CD1 4.37Å; L67-I71 HydrophobicContact CG-CD1 4.2Å; L67-I71 PolarHBondContact O-N 3.31Å; C68-I71 PolarHBondContact O-N 3.02Å; I71-G73 PolarHBondContact O-N 2.91Å; I71-W77 HydrophobicContact CG1-CH2 3.71Å; I71-W77 HydrophobicContact CG1-CZ2 3.88Å; I71-L234 HydrophobicContact CD1-CD2 3.16Å |
| 72 | L | 95.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5 | 176.9 | -62.2 | 174.3 | 0 | 0 | 0 | 113.6 | C68 C70 K74 L155 T237 L241 | C68-L72 VanDerWaalsContact O-CG 3.3Å; C68-L72 WeakPolarHBondContact O-CG 3.17Å; C68-L72 PolarHBondContact O-N 2.85Å; C70-L72 VanDerWaalsContact C-N 3.31Å; C70-L72 PolarHBondContact O-N 3.38Å; L72-K74 HydrophobicContact CB-CD 4.48Å; L72-K74 HydrophobicContact CB-CG 4.21Å; L72-K74 PolarHBondContact O-N 3.35Å; L72-L155 HydrophobicContact CD1-CD1 4.41Å; L72-L155 HydrophobicContact CD1-CD2 3.45Å; L72-L155 VanDerWaalsContact CD1-CD2 3.45Å; L72-T237 HydrophobicContact CD1-CG2 4.09Å; L72-T237 HydrophobicContact CD2-CG2 3.97Å; L72-T237 HydrophobicContact CG-CG2 4.17Å; L72-L241 HydrophobicContact CD2-CD1 4.12Å; L72-L241 HydrophobicContact CD2-CD2 3.93Å; L72-L241 HydrophobicContact CD2-CG 4.47Å |
| 73 | G | 94.8 | Very high | 96.6 | Very high | 67 Ų | 67 | 54 Ų | 54 | 69% | 0.691 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F69 C70 I71 | F69-G73 PolarHBondContact O-N 3.2Å; C70-G73 PolarHBondContact O-N 2.89Å; C70-G73 VanDerWaalsContact O-N 3.1Å; I71-G73 PolarHBondContact O-N 2.91Å |
| 74 | K | 93.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -84 | -15.1 | 178.4 | -60.8 | -173.5 | 178.9 | -175.5 | 0 | 113.4 | F69 L72 | F69-K74 HydrophobicContact CB-CB 4Å; F69-K74 HydrophobicContact CD2-CB 4.17Å; F69-K74 HydrophobicContact CG-CB 4.16Å; F69-K74 CarbonylContact O-C 3.56Å; F69-K74 WeakPolarHBondContact O-CA 3.26Å; F69-K74 PolarHBondContact O-N 2.92Å; L72-K74 HydrophobicContact CB-CD 4.48Å; L72-K74 HydrophobicContact CB-CG 4.21Å; L72-K74 PolarHBondContact O-N 3.35Å |
| 75 | L | 95.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -134.1 | 141.2 | 173.3 | -177.2 | 66.5 | 0 | 0 | 0 | 109.5 | F69 C70 Q79 Y83 | F69-L75 HydrophobicContact CB-CB 4.13Å; F69-L75 PolarHBondContact O-N 3.49Å; C70-L75 WeakPolarHBondContact CA-O 3.47Å; L75-Q79 HydrophobicContact CD1-CB 3.94Å; L75-Q79 HydrophobicContact CG-CB 4.31Å; L75-Y83 HydrophobicContact CD1-CD2 4.33Å; L75-Y83 HydrophobicContact CD1-CE2 3.91Å; L75-Y83 HydrophobicContact CD2-CD2 4.46Å; L75-Y83 HydrophobicContact CD2-CG 4.35Å |
| 76 | R | 96.4 | Very high | 96.6 | Very high | 199 Ų | 199 | 57.9 Ų | 57.9 | 75% | 0.751 | 31% | 0.311 | S | S | * | . | trans | -73.4 | 135 | 176.1 | -60.3 | 178.5 | 175.1 | 179.3 | -1.6 | 109.7 | G78 Q79 | R76-G78 VanDerWaalsContact C-N 3.26Å; R76-G78 PolarHBondContact O-N 3.23Å; R76-G78 VanDerWaalsContact O-N 3.15Å; R76-Q79 HydrophobicContact CB-CG 4.16Å; R76-Q79 WeakPolarHBondContact O-CA 3.41Å; R76-Q79 WeakPolarHBondContact O-CB 3.45Å; R76-Q79 PolarHBondContact O-N 2.95Å | ||
| 77 | W | 97.4 | Very high | 96.6 | Very high | 155 Ų | 155 | 57.9 Ų | 57.9 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -51.9 | -40.4 | 179.5 | -75.6 | 99 | 0 | 0 | 0 | 114.3 | L67 C70 I71 Q79 L80 | L67-W77 HydrophobicContact CD1-CH2 4.16Å; L67-W77 HydrophobicContact CD1-CZ3 3.92Å; C70-W77 HydrophobicContact CB-CD2 3.9Å; C70-W77 HydrophobicContact CB-CE3 3.93Å; C70-W77 HydrophobicContact CB-CH2 4.11Å; C70-W77 HydrophobicContact CB-CZ2 4.06Å; C70-W77 HydrophobicContact CB-CZ3 4.04Å; I71-W77 HydrophobicContact CG1-CH2 3.71Å; I71-W77 HydrophobicContact CG1-CZ2 3.88Å; W77-Q79 PolarHBondContact O-N 2.9Å; W77-Q79 VanDerWaalsContact O-N 3.13Å; W77-L80 HydrophobicContact CE3-CD2 4.23Å; W77-L80 HydrophobicContact CZ3-CD2 4.14Å; W77-L80 WeakPolarHBondContact O-CB 3.39Å; W77-L80 PolarHBondContact O-N 2.96Å; W77-L80 VanDerWaalsContact O-N 3.1Å |
| 78 | G | 96.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 73% | 0.732 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64 | -15.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R76 | R76-G78 VanDerWaalsContact C-N 3.26Å; R76-G78 PolarHBondContact O-N 3.23Å; R76-G78 VanDerWaalsContact O-N 3.15Å |
| 79 | Q | 95.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -91.6 | -14.7 | 176.5 | -61.8 | 177.5 | -64.9 | 0 | 0 | 113 | L75 R76 W77 P82 Y83 | L75-Q79 HydrophobicContact CD1-CB 3.94Å; L75-Q79 HydrophobicContact CG-CB 4.31Å; R76-Q79 HydrophobicContact CB-CG 4.16Å; R76-Q79 WeakPolarHBondContact O-CA 3.41Å; R76-Q79 WeakPolarHBondContact O-CB 3.45Å; R76-Q79 PolarHBondContact O-N 2.95Å; W77-Q79 PolarHBondContact O-N 2.9Å; W77-Q79 VanDerWaalsContact O-N 3.13Å; Q79-P82 WeakPolarHBondContact O-CD 3.41Å; Q79-Y83 HydrophobicContact CB-CD2 4.24Å; Q79-Y83 HydrophobicContact CB-CE2 4.48Å; Q79-Y83 WeakPolarHBondContact O-CB 3.49Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.3Å; Q79-Y83 PolarHBondContact O-N 3.29Å |
| 80 | L | 96.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -54.6 | -174.1 | -179.2 | 58.4 | 0 | 0 | 0 | 112.3 | L67 W77 Y83 C84 | L67-L80 HydrophobicContact CB-CD1 4.28Å; L67-L80 HydrophobicContact CD1-CD2 3.69Å; W77-L80 HydrophobicContact CE3-CD2 4.23Å; W77-L80 HydrophobicContact CZ3-CD2 4.14Å; W77-L80 WeakPolarHBondContact O-CB 3.39Å; W77-L80 PolarHBondContact O-N 2.96Å; W77-L80 VanDerWaalsContact O-N 3.1Å; L80-Y83 WeakPolarHBondContact O-CB 3.25Å; L80-Y83 PolarHBondContact O-N 3.44Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; L80-C84 PolarHBondContact O-N 3.25Å; L80-C84 PolarHBondContact O-SG 3.31Å |
| 81 | L | 96.4 | Very high | 96.9 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.7 | -47.5 | -178.2 | 178 | 65.4 | 0 | 0 | 0 | 111.9 | Y83 C84 V85 | L81-Y83 VanDerWaalsContact C-N 3.27Å; L81-Y83 PolarHBondContact O-N 3.35Å; L81-C84 PolarHBondContact O-N 2.88Å; L81-V85 HydrophobicContact CD1-CG2 4.06Å; L81-V85 HydrophobicContact CG-CG2 4.42Å; L81-V85 WeakPolarHBondContact O-CG2 3.23Å; L81-V85 PolarHBondContact O-N 3.25Å |
| 82 | P | 96.2 | Very high | 97 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 42% | 0.416 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.7 | -39.4 | 171.3 | -28.2 | 34.3 | 0 | 0 | 0 | 114.1 | Q79 S86 | Q79-P82 WeakPolarHBondContact O-CD 3.41Å; P82-S86 WeakPolarHBondContact O-CB 3.46Å; P82-S86 PolarHBondContact O-N 2.95Å |
| 83 | Y | 96.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -52.6 | 174.5 | -102.9 | -110.9 | 0 | 0 | 0 | 111.3 | L3 V7 S57 H60 L75 Q79 L80 L81 V85 S86 Q87 | L3-Y83 HydrophobicContact CD1-CE2 4.22Å; L3-Y83 WeakPolarHBondContact CD1-OH 3.47Å; L3-Y83 HydrophobicContact CD2-CE2 3.71Å; L3-Y83 HydrophobicContact CG-CE2 3.89Å; V7-Y83 HydrophobicContact CG1-CD1 4.22Å; V7-Y83 HydrophobicContact CG2-CD1 3.84Å; V7-Y83 HydrophobicContact CG2-CD2 4.4Å; V7-Y83 HydrophobicContact CG2-CE1 3.54Å; V7-Y83 HydrophobicContact CG2-CE2 4.15Å; V7-Y83 HydrophobicContact CG2-CG 4.27Å; S57-Y83 PolarHBondContact O-OH 3.17Å; H60-Y83 AromaticContact CE1-CE1 4Å; H60-Y83 AromaticContact ND1-CD1 3.83Å; H60-Y83 AromaticContact ND1-CE1 3.65Å; L75-Y83 HydrophobicContact CD1-CD2 4.33Å; L75-Y83 HydrophobicContact CD1-CE2 3.91Å; L75-Y83 HydrophobicContact CD2-CD2 4.46Å; L75-Y83 HydrophobicContact CD2-CG 4.35Å; Q79-Y83 HydrophobicContact CB-CD2 4.24Å; Q79-Y83 HydrophobicContact CB-CE2 4.48Å; Q79-Y83 WeakPolarHBondContact O-CB 3.49Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.3Å; Q79-Y83 PolarHBondContact O-N 3.29Å; L80-Y83 WeakPolarHBondContact O-CB 3.25Å; L80-Y83 PolarHBondContact O-N 3.44Å; L80-Y83 VanDerWaalsContact O-N 3.16Å; L81-Y83 VanDerWaalsContact C-N 3.27Å; L81-Y83 PolarHBondContact O-N 3.35Å; Y83-V85 PolarHBondContact O-N 3.12Å; Y83-S86 WeakPolarHBondContact O-CB 3.19Å; Y83-S86 PolarHBondContact O-N 2.95Å; Y83-Q87 WeakPolarHBondContact O-CB 3.2Å; Y83-Q87 WeakPolarHBondContact O-CG 3.49Å; Y83-Q87 PolarHBondContact O-N 3.48Å |
| 84 | C | 98.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | -178.1 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | P63 L80 L81 S86 Q87 I88 | P63-C84 HydrophobicContact CB-CB 4.42Å; P63-C84 HydrophobicContact CG-CB 4.47Å; L80-C84 PolarHBondContact O-N 3.25Å; L80-C84 PolarHBondContact O-SG 3.31Å; L81-C84 PolarHBondContact O-N 2.88Å; C84-S86 VanDerWaalsContact C-N 3.35Å; C84-S86 PolarHBondContact O-N 3.37Å; C84-Q87 PolarHBondContact O-N 3.13Å; C84-I88 WeakPolarHBondContact O-CD1 3.45Å; C84-I88 VanDerWaalsContact O-CG1 3.28Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.25Å |
| 85 | V | 98 | Very high | 97.6 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L81 Y83 Q87 I88 F89 | L81-V85 HydrophobicContact CD1-CG2 4.06Å; L81-V85 HydrophobicContact CG-CG2 4.42Å; L81-V85 WeakPolarHBondContact O-CG2 3.23Å; L81-V85 PolarHBondContact O-N 3.25Å; Y83-V85 PolarHBondContact O-N 3.12Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.86Å; V85-I88 PolarHBondContact O-N 3.43Å; V85-F89 WeakPolarHBondContact O-CB 3.28Å; V85-F89 PolarHBondContact O-N 3.42Å |
| 86 | S | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 177.5 | -172 | 0 | 0 | 0 | 0 | 112.9 | F4 V7 C8 P82 Y83 C84 G90 | F4-S86 VanDerWaalsContact CE2-CB 3.44Å; F4-S86 PolarHBondContact O-OG 3Å; V7-S86 WeakPolarHBondContact CB-OG 3.38Å; C8-S86 WeakPolarHBondContact CA-O 3.23Å; C8-S86 PolarHBondContact N-OG 3.44Å; P82-S86 WeakPolarHBondContact O-CB 3.46Å; P82-S86 PolarHBondContact O-N 2.95Å; Y83-S86 WeakPolarHBondContact O-CB 3.19Å; Y83-S86 PolarHBondContact O-N 2.95Å; C84-S86 VanDerWaalsContact C-N 3.35Å; C84-S86 PolarHBondContact O-N 3.37Å; S86-G90 PolarHBondContact O-N 2.71Å |
| 87 | Q | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 177.8 | -72.1 | 164 | -14.6 | 0 | 0 | 110.7 | V7 V11 P63 S66 Y83 C84 V85 F89 G90 A91 A196 | V7-Q87 HydrophobicContact CG1-CB 4.48Å; V7-Q87 HydrophobicContact CG1-CG 3.45Å; V7-Q87 VanDerWaalsContact CG1-CG 3.45Å; V11-Q87 WeakPolarHBondContact CG1-O 3.2Å; V11-Q87 HydrophobicContact CG2-CB 3.83Å; V11-Q87 HydrophobicContact CG2-CG 3.75Å; P63-Q87 VanDerWaalsContact CG-OE1 3.25Å; S66-Q87 PolarHBondContact OG-NE2 2.91Å; Y83-Q87 WeakPolarHBondContact O-CB 3.2Å; Y83-Q87 WeakPolarHBondContact O-CG 3.49Å; Y83-Q87 PolarHBondContact O-N 3.48Å; C84-Q87 PolarHBondContact O-N 3.13Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.86Å; Q87-F89 VanDerWaalsContact C-N 3.34Å; Q87-F89 PolarHBondContact O-N 2.98Å; Q87-G90 PolarHBondContact O-N 2.82Å; Q87-A91 WeakPolarHBondContact O-CB 3.44Å; Q87-A91 PolarHBondContact O-N 3.4Å; Q87-A196 HydrophobicContact CB-CB 3.62Å |
| 88 | I | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 177.3 | -67.4 | 162.2 | 0 | 0 | 0 | 110.1 | C84 V85 A91 Y92 A196 L199 L203 | C84-I88 WeakPolarHBondContact O-CD1 3.45Å; C84-I88 VanDerWaalsContact O-CG1 3.28Å; C84-I88 WeakPolarHBondContact O-CG1 3.45Å; C84-I88 PolarHBondContact O-N 3.25Å; V85-I88 PolarHBondContact O-N 3.43Å; I88-A91 WeakPolarHBondContact O-CB 3.48Å; I88-A91 PolarHBondContact O-N 3.5Å; I88-Y92 PolarHBondContact O-N 3.04Å; I88-A196 HydrophobicContact CG1-CB 4.01Å; I88-L199 HydrophobicContact CD1-CD2 4Å; I88-L199 HydrophobicContact CG2-CG 4.49Å; I88-L203 HydrophobicContact CG2-CD1 4.18Å |
| 89 | F | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 39 Ų | 39 | 46% | 0.456 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.7 | -175.8 | -110.7 | 0 | 0 | 0 | 111.9 | V85 Q87 A91 Y92 V93 | V85-F89 WeakPolarHBondContact O-CB 3.28Å; V85-F89 PolarHBondContact O-N 3.42Å; Q87-F89 VanDerWaalsContact C-N 3.34Å; Q87-F89 PolarHBondContact O-N 2.98Å; F89-A91 VanDerWaalsContact C-N 3.27Å; F89-A91 PolarHBondContact O-N 2.93Å; F89-Y92 WeakPolarHBondContact O-CB 3.4Å; F89-Y92 PolarHBondContact O-N 3.38Å; F89-V93 HydrophobicContact CD1-CG2 4.31Å; F89-V93 HydrophobicContact CD2-CG2 4.5Å; F89-V93 HydrophobicContact CE1-CG2 3.9Å; F89-V93 HydrophobicContact CE2-CG2 4.1Å; F89-V93 HydrophobicContact CZ-CG2 3.79Å; F89-V93 WeakPolarHBondContact O-CG2 3.48Å; F89-V93 PolarHBondContact O-N 3.5Å |
| 90 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C8 C12 S86 Q87 V93 G94 | C8-G90 WeakPolarHBondContact O-CA 3.49Å; C8-G90 WeakPolarHBondContact SG-CA 3.41Å; C12-G90 VanDerWaalsContact CA-O 3.3Å; C12-G90 WeakPolarHBondContact CA-O 3.37Å; S86-G90 PolarHBondContact O-N 2.71Å; Q87-G90 PolarHBondContact O-N 2.82Å; G90-V93 PolarHBondContact O-N 3.4Å; G90-G94 PolarHBondContact O-N 3Å |
| 91 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V11 K15 Q87 I88 F89 A95 A196 P201 | V11-A91 HydrophobicContact CG1-CB 3.6Å; K15-A91 HydrophobicContact CG-CB 4.07Å; Q87-A91 WeakPolarHBondContact O-CB 3.44Å; Q87-A91 PolarHBondContact O-N 3.4Å; I88-A91 WeakPolarHBondContact O-CB 3.48Å; I88-A91 PolarHBondContact O-N 3.5Å; F89-A91 VanDerWaalsContact C-N 3.27Å; F89-A91 PolarHBondContact O-N 2.93Å; A91-A95 VanDerWaalsContact O-CB 3.3Å; A91-A95 WeakPolarHBondContact O-CB 3.28Å; A91-A95 PolarHBondContact O-N 3.15Å; A91-A196 WeakPolarHBondContact CB-O 3.39Å; A91-P201 HydrophobicContact CB-CG 4.46Å |
| 92 | Y | 98.8 | Very high | 98.4 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -49.6 | 173.3 | -180 | -77.5 | 0 | 0 | 0 | 111 | I88 F89 G94 A95 A96 G200 L203 L204 T207 | I88-Y92 PolarHBondContact O-N 3.04Å; F89-Y92 WeakPolarHBondContact O-CB 3.4Å; F89-Y92 PolarHBondContact O-N 3.38Å; Y92-G94 PolarHBondContact O-N 3.42Å; Y92-A95 PolarHBondContact O-N 2.91Å; Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.21Å; Y92-G200 WeakPolarHBondContact CD2-O 3.3Å; Y92-L203 HydrophobicContact CD2-CB 3.93Å; Y92-L203 HydrophobicContact CE2-CB 4.24Å; Y92-L204 HydrophobicContact CD2-CB 3.98Å; Y92-L204 HydrophobicContact CE1-CD1 4.29Å; Y92-L204 VanDerWaalsContact CE2-CA 3.43Å; Y92-L204 HydrophobicContact CE2-CB 3.92Å; Y92-L204 HydrophobicContact CE2-CD1 4.32Å; Y92-T207 PolarHBondContact OH-OG1 3.22Å |
| 93 | V | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111 | F89 G90 A95 A96 L97 | F89-V93 HydrophobicContact CD1-CG2 4.31Å; F89-V93 HydrophobicContact CD2-CG2 4.5Å; F89-V93 HydrophobicContact CE1-CG2 3.9Å; F89-V93 HydrophobicContact CE2-CG2 4.1Å; F89-V93 HydrophobicContact CZ-CG2 3.79Å; F89-V93 WeakPolarHBondContact O-CG2 3.48Å; F89-V93 PolarHBondContact O-N 3.5Å; G90-V93 PolarHBondContact O-N 3.4Å; V93-A95 VanDerWaalsContact C-N 3.31Å; V93-A95 PolarHBondContact O-N 3.12Å; V93-A96 WeakPolarHBondContact O-CB 3.3Å; V93-A96 PolarHBondContact O-N 3.34Å; V93-A96 VanDerWaalsContact O-N 3.13Å; V93-L97 HydrophobicContact CG1-CD1 4.33Å; V93-L97 WeakPolarHBondContact O-CG 3.34Å; V93-L97 PolarHBondContact O-N 3.37Å |
| 94 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C12 G90 Y92 L97 V98 | C12-G94 VanDerWaalsContact SG-CA 3.56Å; G90-G94 PolarHBondContact O-N 3Å; Y92-G94 PolarHBondContact O-N 3.42Å; G94-L97 PolarHBondContact O-N 3.36Å; G94-V98 WeakPolarHBondContact O-CG2 3.49Å; G94-V98 PolarHBondContact O-N 3.18Å; G94-V98 VanDerWaalsContact O-N 3.12Å |
| 95 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L19 A91 Y92 V93 L97 V98 Y99 F126 P201 L204 | L19-A95 HydrophobicContact CD1-CB 3.61Å; A91-A95 VanDerWaalsContact O-CB 3.3Å; A91-A95 WeakPolarHBondContact O-CB 3.28Å; A91-A95 PolarHBondContact O-N 3.15Å; Y92-A95 PolarHBondContact O-N 2.91Å; V93-A95 VanDerWaalsContact C-N 3.31Å; V93-A95 PolarHBondContact O-N 3.12Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3.08Å; A95-V98 PolarHBondContact O-N 3Å; A95-Y99 PolarHBondContact O-N 3.21Å; A95-F126 HydrophobicContact CB-CD1 4.04Å; A95-P201 HydrophobicContact CB-CB 3.72Å; A95-P201 HydrophobicContact CB-CG 3.96Å; A95-L204 HydrophobicContact CB-CB 4.36Å; A95-L204 HydrophobicContact CB-CD2 3.43Å; A95-L204 VanDerWaalsContact CB-CD2 3.43Å; A95-L204 WeakPolarHBondContact O-CD2 3.37Å |
| 96 | A | 98.9 | Very high | 98.7 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y92 V93 Y99 A100 L204 | Y92-A96 WeakPolarHBondContact O-CB 3.4Å; Y92-A96 PolarHBondContact O-N 3.21Å; V93-A96 WeakPolarHBondContact O-CB 3.3Å; V93-A96 PolarHBondContact O-N 3.34Å; V93-A96 VanDerWaalsContact O-N 3.13Å; A96-Y99 PolarHBondContact O-N 3.27Å; A96-A100 PolarHBondContact O-N 3.17Å; A96-L204 HydrophobicContact CB-CD1 3.84Å; A96-L204 HydrophobicContact CB-CD2 4.36Å; A96-L204 VanDerWaalsContact N-CD2 3.32Å |
| 97 | L | 98.9 | Very high | 98.8 | Very high | 89 Ų | 89 | 46 Ų | 46 | 47% | 0.466 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.1 | -69 | 172.7 | 0 | 0 | 0 | 111.9 | L16 V93 G94 A95 A100 L101 | L16-L97 HydrophobicContact CD2-CB 3.74Å; L16-L97 HydrophobicContact CD2-CD1 4.11Å; V93-L97 HydrophobicContact CG1-CD1 4.33Å; V93-L97 WeakPolarHBondContact O-CG 3.34Å; V93-L97 PolarHBondContact O-N 3.37Å; G94-L97 PolarHBondContact O-N 3.36Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3.08Å; L97-A100 PolarHBondContact O-N 3.14Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.22Å |
| 98 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111.6 | L16 L19 S20 A23 G94 A95 A100 L101 Y102 F126 | L16-V98 HydrophobicContact CD2-CG2 4.01Å; L19-V98 HydrophobicContact CB-CB 4.2Å; L19-V98 HydrophobicContact CB-CG1 3.94Å; L19-V98 HydrophobicContact CB-CG2 4.02Å; S20-V98 WeakPolarHBondContact OG-CG2 3.35Å; A23-V98 HydrophobicContact CB-CG1 4.3Å; G94-V98 WeakPolarHBondContact O-CG2 3.49Å; G94-V98 PolarHBondContact O-N 3.18Å; G94-V98 VanDerWaalsContact O-N 3.12Å; A95-V98 PolarHBondContact O-N 3Å; V98-A100 VanDerWaalsContact C-N 3.35Å; V98-A100 PolarHBondContact O-N 3.43Å; V98-L101 PolarHBondContact O-N 3.02Å; V98-Y102 HydrophobicContact CG1-CD2 4.07Å; V98-Y102 PolarHBondContact O-N 3.41Å; V98-F126 HydrophobicContact CG1-CE1 4.4Å |
| 99 | Y | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.6 | 175.6 | -113.1 | 0 | 0 | 0 | 111.4 | A95 A96 Y102 Y103 I106 M107 F126 A208 W210 | A95-Y99 PolarHBondContact O-N 3.21Å; A96-Y99 PolarHBondContact O-N 3.27Å; Y99-Y102 CarbonylContact O-C 3.55Å; Y99-Y102 PolarHBondContact O-N 2.83Å; Y99-Y103 AromaticContact CE1-CD2 3.99Å; Y99-Y103 HydrophobicContact CE1-CD2 3.99Å; Y99-Y103 HydrophobicContact CE1-CE2 4.37Å; Y99-Y103 HydrophobicContact CE2-CD2 4.18Å; Y99-Y103 AromaticContact CZ-CD2 3.68Å; Y99-Y103 AromaticContact CZ-CE2 3.94Å; Y99-Y103 VanDerWaalsContact O-CA 3.26Å; Y99-Y103 WeakPolarHBondContact O-CA 3.44Å; Y99-Y103 WeakPolarHBondContact O-CB 3.5Å; Y99-Y103 PolarHBondContact O-N 2.92Å; Y99-Y103 WeakPolarHBondContact OH-CE2 3.2Å; Y99-I106 HydrophobicContact CD2-CD1 3.98Å; Y99-M107 HydrophobicContact CE2-CE 4.5Å; Y99-M107 WeakPolarHBondContact OH-CE 3.41Å; Y99-F126 HydrophobicContact CD2-CZ 4.01Å; Y99-F126 HydrophobicContact CG-CZ 4.39Å; Y99-A208 HydrophobicContact CE1-CB 4.34Å; Y99-W210 AromaticContact CD2-CH2 3.64Å; Y99-W210 HydrophobicContact CD2-CH2 3.64Å; Y99-W210 HydrophobicContact CD2-CZ3 4.03Å; Y99-W210 AromaticContact CE2-CH2 3.44Å; Y99-W210 HydrophobicContact CE2-CH2 3.44Å; Y99-W210 VanDerWaalsContact CE2-CH2 3.44Å; Y99-W210 AromaticContact CE2-CZ3 3.72Å; Y99-W210 HydrophobicContact CE2-CZ3 3.72Å |
| 100 | A | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A96 L97 V98 Y102 Y103 | A96-A100 PolarHBondContact O-N 3.17Å; L97-A100 PolarHBondContact O-N 3.14Å; V98-A100 VanDerWaalsContact C-N 3.35Å; V98-A100 PolarHBondContact O-N 3.43Å; A100-Y102 PolarHBondContact O-N 3.29Å; A100-Y103 PolarHBondContact O-N 3.45Å |
| 101 | L | 98.6 | Very high | 98.7 | Very high | 122 Ų | 122 | 51.5 Ų | 51.5 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65 | -36.7 | 180 | 179.9 | 62.9 | 0 | 0 | 0 | 112.9 | L97 V98 | L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.22Å; V98-L101 PolarHBondContact O-N 3.02Å |
| 102 | Y | 98.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 14.2 | -177.7 | -78.9 | -95 | 0 | 0 | 0 | 113.1 | S20 A23 Q24 V98 Y99 A100 D104 A105 I106 | S20-Y102 PolarHBondContact O-OH 3.22Å; A23-Y102 HydrophobicContact CB-CD1 3.65Å; A23-Y102 HydrophobicContact CB-CD2 3.85Å; A23-Y102 HydrophobicContact CB-CE1 4.01Å; A23-Y102 HydrophobicContact CB-CE2 4.2Å; A23-Y102 HydrophobicContact CB-CG 3.56Å; Q24-Y102 HydrophobicContact CB-CE1 4.09Å; V98-Y102 HydrophobicContact CG1-CD2 4.07Å; V98-Y102 PolarHBondContact O-N 3.41Å; Y99-Y102 CarbonylContact O-C 3.55Å; Y99-Y102 PolarHBondContact O-N 2.83Å; A100-Y102 PolarHBondContact O-N 3.29Å; Y102-D104 PolarHBondContact O-N 3.01Å; Y102-A105 HydrophobicContact CD1-CB 4.26Å; Y102-A105 PolarHBondContact O-N 3.41Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; Y102-I106 WeakPolarHBondContact O-CB 3.31Å; Y102-I106 VanDerWaalsContact O-CG1 3.31Å; Y102-I106 WeakPolarHBondContact O-CG1 3.42Å; Y102-I106 PolarHBondContact O-N 3.44Å |
| 103 | Y | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -52.6 | -54.6 | -172.9 | 179.6 | -91.1 | 0 | 0 | 0 | 111.9 | Y99 A100 A105 I106 M107 | Y99-Y103 AromaticContact CE1-CD2 3.99Å; Y99-Y103 HydrophobicContact CE1-CD2 3.99Å; Y99-Y103 HydrophobicContact CE1-CE2 4.37Å; Y99-Y103 HydrophobicContact CE2-CD2 4.18Å; Y99-Y103 AromaticContact CZ-CD2 3.68Å; Y99-Y103 AromaticContact CZ-CE2 3.94Å; Y99-Y103 VanDerWaalsContact O-CA 3.26Å; Y99-Y103 WeakPolarHBondContact O-CA 3.44Å; Y99-Y103 WeakPolarHBondContact O-CB 3.5Å; Y99-Y103 PolarHBondContact O-N 2.92Å; Y99-Y103 WeakPolarHBondContact OH-CE2 3.2Å; A100-Y103 PolarHBondContact O-N 3.45Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.24Å; Y103-I106 PolarHBondContact O-N 2.92Å; Y103-M107 HydrophobicContact CD1-CG 4.2Å; Y103-M107 HydrophobicContact CD2-CE 4.12Å; Y103-M107 HydrophobicContact CE1-CG 3.82Å; Y103-M107 HydrophobicContact CE2-CE 3.48Å; Y103-M107 VanDerWaalsContact CE2-CE 3.48Å; Y103-M107 HydrophobicContact CE2-CG 4.26Å; Y103-M107 WeakPolarHBondContact O-CG 3.42Å; Y103-M107 PolarHBondContact O-N 3.13Å |
| 104 | D | 98.8 | Very high | 98.6 | Very high | 129 Ų | 129 | 53.6 Ų | 53.6 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | -178.4 | -62.9 | -35.2 | 0 | 0 | 0 | 112 | Y102 I106 M107 E108 | Y102-D104 PolarHBondContact O-N 3.01Å; D104-I106 PolarHBondContact O-N 3.44Å; D104-M107 PolarHBondContact O-N 3.38Å; D104-E108 VanDerWaalsContact O-CB 3.29Å; D104-E108 WeakPolarHBondContact O-CB 2.92Å; D104-E108 PolarHBondContact O-N 3.45Å |
| 105 | A | 98.7 | Very high | 98.6 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T27 Y102 Y103 F109 | T27-A105 HydrophobicContact CG2-CB 4.18Å; Y102-A105 HydrophobicContact CD1-CB 4.26Å; Y102-A105 PolarHBondContact O-N 3.41Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; Y103-A105 VanDerWaalsContact C-N 3.34Å; Y103-A105 PolarHBondContact O-N 3.24Å; A105-F109 WeakPolarHBondContact O-CB 3.38Å; A105-F109 PolarHBondContact O-N 3.18Å |
| 106 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 175.1 | -71.7 | 167.9 | 0 | 0 | 0 | 109.8 | T27 Y99 Y102 Y103 D104 F109 S110 L114 T122 I125 F126 W210 | T27-I106 HydrophobicContact CG2-CG1 3.96Å; Y99-I106 HydrophobicContact CD2-CD1 3.98Å; Y102-I106 WeakPolarHBondContact O-CB 3.31Å; Y102-I106 VanDerWaalsContact O-CG1 3.31Å; Y102-I106 WeakPolarHBondContact O-CG1 3.42Å; Y102-I106 PolarHBondContact O-N 3.44Å; Y103-I106 PolarHBondContact O-N 2.92Å; D104-I106 PolarHBondContact O-N 3.44Å; I106-F109 PolarHBondContact O-N 2.82Å; I106-S110 VanDerWaalsContact O-CB 3.23Å; I106-S110 WeakPolarHBondContact O-CB 3.42Å; I106-S110 PolarHBondContact O-N 2.89Å; I106-S110 PolarHBondContact O-OG 2.99Å; I106-L114 HydrophobicContact CG2-CD2 3.71Å; I106-T122 HydrophobicContact CG2-CG2 4.2Å; I106-I125 HydrophobicContact CD1-CD1 4.4Å; I106-I125 HydrophobicContact CG1-CD1 4.13Å; I106-F126 HydrophobicContact CD1-CE2 4.11Å; I106-F126 HydrophobicContact CD1-CZ 3.88Å; I106-W210 HydrophobicContact CG2-CH2 4.47Å; I106-W210 HydrophobicContact CG2-CZ2 4.29Å |
| 107 | M | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 18% | 0.177 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 179.9 | -68.3 | -57 | 164.3 | 0 | 0 | 111.8 | Y99 Y103 D104 S110 G111 G112 L114 | Y99-M107 HydrophobicContact CE2-CE 4.5Å; Y99-M107 WeakPolarHBondContact OH-CE 3.41Å; Y103-M107 HydrophobicContact CD1-CG 4.2Å; Y103-M107 HydrophobicContact CD2-CE 4.12Å; Y103-M107 HydrophobicContact CE1-CG 3.82Å; Y103-M107 HydrophobicContact CE2-CE 3.48Å; Y103-M107 VanDerWaalsContact CE2-CE 3.48Å; Y103-M107 HydrophobicContact CE2-CG 4.26Å; Y103-M107 WeakPolarHBondContact O-CG 3.42Å; Y103-M107 PolarHBondContact O-N 3.13Å; D104-M107 PolarHBondContact O-N 3.38Å; M107-S110 PolarHBondContact O-N 3.1Å; M107-S110 PolarHBondContact O-OG 3.11Å; M107-G111 WeakPolarHBondContact O-CA 3.45Å; M107-G111 PolarHBondContact O-N 3.07Å; M107-G112 PolarHBondContact O-N 3.46Å; M107-L114 HydrophobicContact CE-CD1 4.06Å; M107-L114 HydrophobicContact CE-CD2 3.9Å; M107-L114 HydrophobicContact CE-CG 4.23Å; M107-L114 HydrophobicContact SD-CD2 4.22Å |
| 108 | E | 98.6 | Very high | 98.1 | Very high | 165 Ų | 165 | 57.9 Ų | 57.9 | 77% | 0.771 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.2 | -48.9 | 174.5 | 179.5 | 63.1 | -165.4 | 0 | 0 | 111.5 | D104 S110 G111 | D104-E108 VanDerWaalsContact O-CB 3.29Å; D104-E108 WeakPolarHBondContact O-CB 2.92Å; D104-E108 PolarHBondContact O-N 3.45Å; E108-S110 VanDerWaalsContact C-N 3.33Å; E108-S110 PolarHBondContact O-N 2.87Å; E108-G111 PolarHBondContact O-N 2.96Å |
| 109 | F | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 64.1 Ų | 64.1 | 10% | 0.096 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -179.3 | 176.8 | -91.4 | 0 | 0 | 0 | 112.6 | K26 T27 R29 A105 I106 T122 | K26-F109 HydrophobicContact CG-CE1 4.35Å; K26-F109 HydrophobicContact CG-CZ 4.36Å; K26-F109 WeakPolarHBondContact O-CE2 3.4Å; T27-F109 HydrophobicContact CG2-CB 4.21Å; R29-F109 HydrophobicContact CG-CD2 4.3Å; R29-F109 HydrophobicContact CG-CE2 3.97Å; A105-F109 WeakPolarHBondContact O-CB 3.38Å; A105-F109 PolarHBondContact O-N 3.18Å; I106-F109 PolarHBondContact O-N 2.82Å; F109-T122 HydrophobicContact CD1-CG2 3.59Å; F109-T122 HydrophobicContact CE1-CG2 4.01Å |
| 110 | S | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 8% | 0.077 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -88.4 | -7 | -174.8 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | I106 M107 E108 G112 V113 | I106-S110 VanDerWaalsContact O-CB 3.23Å; I106-S110 WeakPolarHBondContact O-CB 3.42Å; I106-S110 PolarHBondContact O-N 2.89Å; I106-S110 PolarHBondContact O-OG 2.99Å; M107-S110 PolarHBondContact O-N 3.1Å; M107-S110 PolarHBondContact O-OG 3.11Å; E108-S110 VanDerWaalsContact C-N 3.33Å; E108-S110 PolarHBondContact O-N 2.87Å; S110-G112 PolarHBondContact O-N 2.78Å; S110-V113 WeakPolarHBondContact CB-O 3.46Å; S110-V113 PolarHBondContact O-N 3.23Å |
| 111 | G | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 28.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M107 E108 V113 | M107-G111 WeakPolarHBondContact O-CA 3.45Å; M107-G111 PolarHBondContact O-N 3.07Å; E108-G111 PolarHBondContact O-N 2.96Å; G111-V113 VanDerWaalsContact C-N 3.3Å; G111-V113 PolarHBondContact O-N 3.26Å |
| 112 | G | 97.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 5.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M107 S110 | M107-G112 PolarHBondContact O-N 3.46Å; S110-G112 PolarHBondContact O-N 2.78Å |
| 113 | V | 98 | Very high | 97.6 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | trans | -114.1 | 109.8 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | S110 G111 T115 | S110-V113 WeakPolarHBondContact CB-O 3.46Å; S110-V113 PolarHBondContact O-N 3.23Å; G111-V113 VanDerWaalsContact C-N 3.3Å; G111-V113 PolarHBondContact O-N 3.26Å; V113-T115 HydrophobicContact CG1-CG2 3.83Å; V113-T115 PolarHBondContact O-N 3.13Å | ||
| 114 | L | 98.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | trans | -82.9 | 102 | -177.3 | -57 | -179.5 | 0 | 0 | 0 | 111 | I106 M107 W210 | I106-L114 HydrophobicContact CG2-CD2 3.71Å; M107-L114 HydrophobicContact CE-CD1 4.06Å; M107-L114 HydrophobicContact CE-CD2 3.9Å; M107-L114 HydrophobicContact CE-CG 4.23Å; M107-L114 HydrophobicContact SD-CD2 4.22Å; L114-W210 HydrophobicContact CB-CD2 3.76Å; L114-W210 HydrophobicContact CB-CE3 4.26Å; L114-W210 HydrophobicContact CB-CG 3.93Å; L114-W210 HydrophobicContact CB-CZ2 4.29Å; L114-W210 HydrophobicContact CD1-CD2 4.07Å; L114-W210 HydrophobicContact CD1-CE3 3.71Å; L114-W210 HydrophobicContact CD1-CH2 3.91Å; L114-W210 HydrophobicContact CD1-CZ2 4.23Å; L114-W210 HydrophobicContact CD1-CZ3 3.63Å; L114-W210 HydrophobicContact CD2-CH2 3.97Å; L114-W210 HydrophobicContact CD2-CZ2 3.7Å; L114-W210 HydrophobicContact CG-CD2 4.37Å; L114-W210 HydrophobicContact CG-CE3 4.49Å; L114-W210 HydrophobicContact CG-CH2 4.42Å; L114-W210 HydrophobicContact CG-CZ2 4.29Å | ||
| 115 | T | 98 | Very high | 97.5 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | trans | -113.1 | 156.3 | -178.8 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | V113 Y117 E121 T122 W210 | V113-T115 HydrophobicContact CG1-CG2 3.83Å; V113-T115 PolarHBondContact O-N 3.13Å; T115-Y117 PolarHBondContact OG1-O 2.92Å; T115-Y117 VanDerWaalsContact OG1-O 3.04Å; T115-E121 WeakPolarHBondContact OG1-CA 3.4Å; T115-T122 PolarHBondContact O-N 3.42Å; T115-W210 VanDerWaalsContact O-CD1 3.27Å; T115-W210 PolarHBondContact O-NE1 2.93Å | ||
| 116 | V | 97.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -88.4 | -30.3 | 178.9 | 179 | 0 | 0 | 0 | 0 | 112.8 | S123 Y129 W210 E213 V214 | V116-S123 VanDerWaalsContact CA-OG 3.32Å; V116-S123 WeakPolarHBondContact CA-OG 3.46Å; V116-S123 PolarHBondContact O-OG 3.25Å; V116-Y129 HydrophobicContact CG1-CD1 4.15Å; V116-Y129 HydrophobicContact CG1-CE1 3.48Å; V116-Y129 VanDerWaalsContact CG1-CE1 3.48Å; V116-Y129 HydrophobicContact CG1-CE2 4.44Å; V116-W210 HydrophobicContact CG2-CB 4.35Å; V116-E213 HydrophobicContact CB-CB 4.18Å; V116-E213 HydrophobicContact CG2-CB 3.75Å; V116-V214 HydrophobicContact CG2-CB 4.43Å; V116-V214 HydrophobicContact CG2-CG1 3.57Å |
| 117 | Y | 94.4 | Very high | 97.5 | Very high | 131 Ų | 131 | 43.8 Ų | 43.8 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -137.6 | 169.1 | -179.5 | 62.9 | -87.6 | 0 | 0 | 0 | 110.5 | T115 E213 | T115-Y117 PolarHBondContact OG1-O 2.92Å; T115-Y117 VanDerWaalsContact OG1-O 3.04Å; Y117-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y117-E213 WeakPolarHBondContact CE1-OE2 3.49Å |
| 118 | G | 94.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 96.1 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S120 E121 | G118-S120 VanDerWaalsContact C-N 3.26Å; G118-S120 PolarHBondContact O-N 3.45Å; G118-E121 WeakPolarHBondContact O-CB 3.37Å; G118-E121 WeakPolarHBondContact O-CG 3.24Å; G118-E121 PolarHBondContact O-N 3.01Å |
| 119 | P | 93.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 35.8 Ų | 35.8 | 86% | 0.857 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.7 | -167.8 | 25.4 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 120 | S | 96.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 18.8 | 179.8 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | G118 | G118-S120 VanDerWaalsContact C-N 3.26Å; G118-S120 PolarHBondContact O-N 3.45Å |
| 121 | E | 97.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | trans | -62.5 | 144.4 | 177.7 | 74.9 | 79.7 | -156.8 | 0 | 0 | 111.7 | K26 T115 G118 S123 S124 | K26-E121 WeakPolarHBondContact CE-O 3.48Å; K26-E121 WeakPolarHBondContact CE-OE1 3.44Å; K26-E121 IonicContact NZ-OE1 2.59Å; K26-E121 PolarHBondContact NZ-OE1 3.39Å; T115-E121 WeakPolarHBondContact OG1-CA 3.4Å; G118-E121 WeakPolarHBondContact O-CB 3.37Å; G118-E121 WeakPolarHBondContact O-CG 3.24Å; G118-E121 PolarHBondContact O-N 3.01Å; E121-S123 PolarHBondContact OE2-N 3.21Å; E121-S123 PolarHBondContact OE2-OG 2.92Å; E121-S124 VanDerWaalsContact CD-OG 3.27Å; E121-S124 VanDerWaalsContact OE1-CB 3.27Å; E121-S124 WeakPolarHBondContact OE1-CB 3.28Å; E121-S124 PolarHBondContact OE1-OG 3.35Å; E121-S124 WeakPolarHBondContact OE2-CB 3.49Å; E121-S124 PolarHBondContact OE2-N 3.34Å; E121-S124 PolarHBondContact OE2-OG 3.37Å | ||
| 122 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -127.8 | -2.1 | -178 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | I106 F109 T115 S124 I125 W210 | I106-T122 HydrophobicContact CG2-CG2 4.2Å; F109-T122 HydrophobicContact CD1-CG2 3.59Å; F109-T122 HydrophobicContact CE1-CG2 4.01Å; T115-T122 PolarHBondContact O-N 3.42Å; T122-S124 VanDerWaalsContact C-N 3.28Å; T122-S124 PolarHBondContact O-N 2.88Å; T122-I125 HydrophobicContact CG2-CD1 4.38Å; T122-I125 VanDerWaalsContact O-CB 3.3Å; T122-I125 WeakPolarHBondContact O-CB 3.44Å; T122-I125 WeakPolarHBondContact O-CG1 3.47Å; T122-I125 PolarHBondContact O-N 3.33Å; T122-W210 WeakPolarHBondContact OG1-CZ2 3.45Å; T122-W210 PolarHBondContact OG1-NE1 2.76Å | ||
| 123 | S | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -67.4 | -30.7 | -178 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | V116 E121 I125 F126 A127 Y129 | V116-S123 VanDerWaalsContact CA-OG 3.32Å; V116-S123 WeakPolarHBondContact CA-OG 3.46Å; V116-S123 PolarHBondContact O-OG 3.25Å; E121-S123 PolarHBondContact OE2-N 3.21Å; E121-S123 PolarHBondContact OE2-OG 2.92Å; S123-I125 PolarHBondContact O-N 3.31Å; S123-F126 PolarHBondContact O-N 3.38Å; S123-A127 PolarHBondContact O-N 2.83Å; S123-Y129 WeakPolarHBondContact OG-CE2 3.42Å |
| 124 | S | 98 | Very high | 96.5 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -67.5 | -14.3 | 179.1 | 66.9 | 0 | 0 | 0 | 0 | 114 | E121 T122 F126 A127 | E121-S124 VanDerWaalsContact CD-OG 3.27Å; E121-S124 VanDerWaalsContact OE1-CB 3.27Å; E121-S124 WeakPolarHBondContact OE1-CB 3.28Å; E121-S124 PolarHBondContact OE1-OG 3.35Å; E121-S124 WeakPolarHBondContact OE2-CB 3.49Å; E121-S124 PolarHBondContact OE2-N 3.34Å; E121-S124 PolarHBondContact OE2-OG 3.37Å; T122-S124 VanDerWaalsContact C-N 3.28Å; T122-S124 PolarHBondContact O-N 2.88Å; S124-F126 PolarHBondContact O-N 3.33Å; S124-A127 WeakPolarHBondContact CA-O 3.47Å |
| 125 | I | 98.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -58.9 | -38.4 | 168.5 | -64.8 | 171.4 | 0 | 0 | 0 | 109.9 | L19 A22 A23 K26 T27 I106 T122 S123 | L19-I125 WeakPolarHBondContact CD2-O 3.43Å; A22-I125 HydrophobicContact CB-CG2 4.43Å; A23-I125 HydrophobicContact CB-CD1 4.39Å; A23-I125 HydrophobicContact CB-CG2 3.67Å; K26-I125 HydrophobicContact CB-CD1 4.11Å; K26-I125 HydrophobicContact CB-CG1 3.9Å; K26-I125 HydrophobicContact CG-CD1 4.14Å; K26-I125 HydrophobicContact CG-CG1 4Å; T27-I125 HydrophobicContact CG2-CD1 4.26Å; I106-I125 HydrophobicContact CD1-CD1 4.4Å; I106-I125 HydrophobicContact CG1-CD1 4.13Å; T122-I125 HydrophobicContact CG2-CD1 4.38Å; T122-I125 VanDerWaalsContact O-CB 3.3Å; T122-I125 WeakPolarHBondContact O-CB 3.44Å; T122-I125 WeakPolarHBondContact O-CG1 3.47Å; T122-I125 PolarHBondContact O-N 3.33Å; S123-I125 PolarHBondContact O-N 3.31Å |
| 126 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -51.4 | -167.7 | -62.2 | -77.7 | 0 | 0 | 0 | 112.7 | L19 A95 V98 Y99 I106 S123 S124 P201 L204 T205 W210 | L19-F126 HydrophobicContact CD1-CD1 4.28Å; A95-F126 HydrophobicContact CB-CD1 4.04Å; V98-F126 HydrophobicContact CG1-CE1 4.4Å; Y99-F126 HydrophobicContact CD2-CZ 4.01Å; Y99-F126 HydrophobicContact CG-CZ 4.39Å; I106-F126 HydrophobicContact CD1-CE2 4.11Å; I106-F126 HydrophobicContact CD1-CZ 3.88Å; S123-F126 PolarHBondContact O-N 3.38Å; S124-F126 PolarHBondContact O-N 3.33Å; F126-P201 HydrophobicContact CB-CB 3.85Å; F126-P201 WeakPolarHBondContact O-CB 3.24Å; F126-L204 HydrophobicContact CD1-CD2 4.16Å; F126-L204 HydrophobicContact CE1-CD2 4.19Å; F126-T205 HydrophobicContact CB-CG2 3.61Å; F126-T205 HydrophobicContact CD2-CG2 3.59Å; F126-T205 HydrophobicContact CG-CG2 3.75Å; F126-W210 HydrophobicContact CD2-CH2 4.36Å; F126-W210 HydrophobicContact CD2-CZ2 4.28Å; F126-W210 AromaticContact CE2-CH2 3.7Å; F126-W210 HydrophobicContact CE2-CH2 3.7Å; F126-W210 AromaticContact CE2-CZ2 3.83Å; F126-W210 HydrophobicContact CE2-CZ2 3.83Å; F126-W210 HydrophobicContact CZ-CH2 4.4Å |
| 127 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -120.1 | 159.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | S123 S124 Y129 R202 | S123-A127 PolarHBondContact O-N 2.83Å; S124-A127 WeakPolarHBondContact CA-O 3.47Å; A127-Y129 HydrophobicContact CB-CE2 4.21Å; A127-R202 HydrophobicContact CB-CB 3.85Å; A127-R202 HydrophobicContact CB-CG 4.33Å |
| 128 | T | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | trans | -85.4 | 147.3 | 178.3 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | C189 A192 D198 R202 W221 | T128-C189 VanDerWaalsContact CB-O 3.32Å; T128-C189 WeakPolarHBondContact CB-O 3.37Å; T128-C189 PolarHBondContact OG1-O 3.44Å; T128-A192 HydrophobicContact CG2-CB 3.78Å; T128-D198 PolarHBondContact N-OD2 2.83Å; T128-D198 PolarHBondContact OG1-OD2 3.38Å; T128-R202 PolarHBondContact O-NH2 3.32Å; T128-W221 PolarHBondContact O-NE1 3.01Å; T128-W221 VanDerWaalsContact O-NE1 3.08Å; T128-W221 PolarHBondContact OG1-NE1 3.17Å | ||
| 129 | Y | 97.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | trans | -134.4 | 145.7 | 171.6 | -63.5 | -86.3 | 0 | 0 | 0 | 108 | V116 S123 A127 R202 F218 | V116-Y129 HydrophobicContact CG1-CD1 4.15Å; V116-Y129 HydrophobicContact CG1-CE1 3.48Å; V116-Y129 VanDerWaalsContact CG1-CE1 3.48Å; V116-Y129 HydrophobicContact CG1-CE2 4.44Å; S123-Y129 WeakPolarHBondContact OG-CE2 3.42Å; A127-Y129 HydrophobicContact CB-CE2 4.21Å; Y129-R202 VanDerWaalsContact CZ-NH1 3.33Å; Y129-R202 PolarHBondContact OH-NH1 3.04Å; Y129-F218 AromaticContact CD1-CD2 3.72Å; Y129-F218 HydrophobicContact CD1-CD2 3.72Å; Y129-F218 AromaticContact CD1-CE2 3.8Å; Y129-F218 HydrophobicContact CD1-CE2 3.8Å; Y129-F218 HydrophobicContact CG-CD2 4.38Å; Y129-F218 HydrophobicContact CG-CE2 4.13Å | ||
| 130 | P | 97.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | trans | -73.6 | 151.7 | 179 | 32.5 | -33.1 | 0 | 0 | 0 | 110.2 | L134 C189 F218 W221 | P130-L134 HydrophobicContact CB-CB 4.4Å; P130-L134 HydrophobicContact CB-CD2 4.03Å; P130-C189 HydrophobicContact CB-CB 3.95Å; P130-F218 HydrophobicContact CG-CB 3.6Å; P130-F218 HydrophobicContact CG-CD1 3.71Å; P130-F218 HydrophobicContact CG-CG 3.73Å; P130-F218 WeakPolarHBondContact O-CE1 3.45Å; P130-W221 HydrophobicContact CB-CD2 4.39Å; P130-W221 HydrophobicContact CB-CE3 4.23Å; P130-W221 HydrophobicContact CB-CZ3 4.33Å; P130-W221 HydrophobicContact CG-CB 4.47Å; P130-W221 HydrophobicContact CG-CD2 3.9Å; P130-W221 HydrophobicContact CG-CE3 3.91Å; P130-W221 HydrophobicContact CG-CG 4.14Å; P130-W221 HydrophobicContact CG-CZ3 4.49Å | ||
| 131 | T | 94.6 | Very high | 97 | Very high | 58 Ų | 58 | 43 Ų | 43 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | trans | -64.3 | 146.7 | 168.8 | -56 | 0 | 0 | 0 | 0 | 109.8 | Y133 L134 A187 N188 | T131-Y133 HydrophobicContact CG2-CD1 3.49Å; T131-Y133 VanDerWaalsContact CG2-CD1 3.49Å; T131-Y133 HydrophobicContact CG2-CE1 3.32Å; T131-Y133 HydrophobicContact CG2-CG 4.46Å; T131-Y133 PolarHBondContact O-N 3.4Å; T131-Y133 VanDerWaalsContact O-N 3.09Å; T131-L134 VanDerWaalsContact O-CB 3.31Å; T131-L134 WeakPolarHBondContact O-CB 3.45Å; T131-L134 PolarHBondContact O-N 3Å; T131-A187 PolarHBondContact OG1-O 3.16Å; T131-N188 PolarHBondContact N-O 3.42Å; T131-N188 PolarHBondContact OG1-O 2.86Å | ||
| 132 | E | 90.8 | Very high | 97.1 | Very high | 173 Ų | 173 | 42.8 Ų | 42.8 | 81% | 0.808 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.2 | -169.3 | -64.2 | -175.7 | 170.7 | 0 | 0 | 114.8 | L134 | E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 2.87Å |
| 133 | Y | 92.4 | Very high | 97.1 | Very high | 151 Ų | 151 | 42.8 Ų | 42.8 | 59% | 0.592 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14.5 | 178.7 | 67.6 | -106.3 | 0 | 0 | 0 | 113.5 | T131 P135 N188 | T131-Y133 HydrophobicContact CG2-CD1 3.49Å; T131-Y133 VanDerWaalsContact CG2-CD1 3.49Å; T131-Y133 HydrophobicContact CG2-CE1 3.32Å; T131-Y133 HydrophobicContact CG2-CG 4.46Å; T131-Y133 PolarHBondContact O-N 3.4Å; T131-Y133 VanDerWaalsContact O-N 3.09Å; Y133-P135 WeakPolarHBondContact O-CD 3.41Å; Y133-N188 PolarHBondContact OH-OD1 3.14Å |
| 134 | L | 95.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | trans | -85 | 117 | -166.9 | -170.3 | 74.5 | 0 | 0 | 0 | 110.9 | P130 T131 E132 N188 C189 | P130-L134 HydrophobicContact CB-CB 4.4Å; P130-L134 HydrophobicContact CB-CD2 4.03Å; T131-L134 VanDerWaalsContact O-CB 3.31Å; T131-L134 WeakPolarHBondContact O-CB 3.45Å; T131-L134 PolarHBondContact O-N 3Å; E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 2.87Å; L134-N188 HydrophobicContact CD1-CB 4.18Å; L134-N188 HydrophobicContact CD2-CB 3.81Å; L134-N188 WeakPolarHBondContact CD2-O 3.47Å; L134-C189 HydrophobicContact CD2-CB 3.94Å | ||
| 135 | P | 96.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | trans | -68.3 | 150.9 | 173.6 | 29.1 | -34.3 | 0 | 0 | 0 | 110.8 | Y133 G137 G138 G139 | Y133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-G137 VanDerWaalsContact C-N 3.26Å; P135-G137 PolarHBondContact O-N 2.89Å; P135-G138 WeakPolarHBondContact O-CA 3.29Å; P135-G138 PolarHBondContact O-N 3.4Å; P135-G139 PolarHBondContact O-N 3.34Å | ||
| 136 | L | 96.7 | Very high | 97.1 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.8 | -42.7 | -177.5 | -168.8 | 68.9 | 0 | 0 | 0 | 112.7 | G138 G139 F140 W221 W223 V224 | L136-G138 VanDerWaalsContact C-N 3.34Å; L136-G138 PolarHBondContact O-N 3.4Å; L136-G139 PolarHBondContact O-N 2.96Å; L136-F140 WeakPolarHBondContact O-CB 3.35Å; L136-F140 PolarHBondContact O-N 3.4Å; L136-W221 HydrophobicContact CD1-CE3 3.9Å; L136-W221 HydrophobicContact CD1-CZ3 4.43Å; L136-W223 HydrophobicContact CD2-CZ2 3.84Å; L136-W223 HydrophobicContact CG-CZ2 4.33Å; L136-V224 HydrophobicContact CD1-CG2 3.66Å; L136-V224 HydrophobicContact CG-CG2 4.25Å |
| 137 | G | 97.8 | Very high | 97.1 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.2 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P135 F140 L141 | P135-G137 VanDerWaalsContact C-N 3.26Å; P135-G137 PolarHBondContact O-N 2.89Å; G137-F140 PolarHBondContact O-N 2.83Å; G137-L141 PolarHBondContact O-N 3.09Å |
| 138 | G | 97.5 | Very high | 97.1 | Very high | 29 Ų | 29 | 45.2 Ų | 45.2 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | P135 L136 F140 L141 D142 | P135-G138 WeakPolarHBondContact O-CA 3.29Å; P135-G138 PolarHBondContact O-N 3.4Å; L136-G138 VanDerWaalsContact C-N 3.34Å; L136-G138 PolarHBondContact O-N 3.4Å; G138-F140 VanDerWaalsContact C-N 3.32Å; G138-F140 PolarHBondContact O-N 3.18Å; G138-L141 PolarHBondContact O-N 2.93Å; G138-D142 WeakPolarHBondContact O-CB 3.24Å; G138-D142 PolarHBondContact O-N 2.71Å |
| 139 | G | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P135 L136 D142 Q143 | P135-G139 PolarHBondContact O-N 3.34Å; L136-G139 PolarHBondContact O-N 2.96Å; G139-D142 PolarHBondContact O-N 3.24Å; G139-Q143 WeakPolarHBondContact O-CG 3.05Å; G139-Q143 PolarHBondContact O-N 2.88Å; G139-Q143 VanDerWaalsContact O-N 3.08Å |
| 140 | F | 98.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 23% | 0.228 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 172.9 | -169.9 | -87 | 0 | 0 | 0 | 111.6 | L136 G137 G138 D142 Q143 V144 W223 V224 V227 A228 I231 | L136-F140 WeakPolarHBondContact O-CB 3.35Å; L136-F140 PolarHBondContact O-N 3.4Å; G137-F140 PolarHBondContact O-N 2.83Å; G138-F140 VanDerWaalsContact C-N 3.32Å; G138-F140 PolarHBondContact O-N 3.18Å; F140-D142 VanDerWaalsContact C-N 3.34Å; F140-D142 PolarHBondContact O-N 2.63Å; F140-Q143 PolarHBondContact O-N 3.01Å; F140-V144 HydrophobicContact CD1-CG2 3.97Å; F140-V144 HydrophobicContact CE1-CG2 3.7Å; F140-V144 HydrophobicContact CZ-CG2 4.37Å; F140-V144 WeakPolarHBondContact O-CG2 3.39Å; F140-V144 PolarHBondContact O-N 3.09Å; F140-W223 AromaticContact CD2-CH2 3.85Å; F140-W223 HydrophobicContact CD2-CH2 3.85Å; F140-W223 AromaticContact CD2-CZ3 3.73Å; F140-W223 HydrophobicContact CD2-CZ3 3.73Å; F140-W223 HydrophobicContact CE2-CH2 4.05Å; F140-W223 AromaticContact CE2-CZ3 3.55Å; F140-W223 HydrophobicContact CE2-CZ3 3.55Å; F140-V224 HydrophobicContact CB-CG1 4.22Å; F140-V224 HydrophobicContact CD2-CG1 4.03Å; F140-V224 HydrophobicContact CD2-CG2 4.35Å; F140-V227 HydrophobicContact CE2-CB 4.47Å; F140-V227 HydrophobicContact CE2-CG1 4.21Å; F140-V227 HydrophobicContact CZ-CG1 4.42Å; F140-A228 HydrophobicContact CD1-CB 4.47Å; F140-A228 HydrophobicContact CD2-CB 3.71Å; F140-A228 HydrophobicContact CE1-CB 4.47Å; F140-A228 HydrophobicContact CE2-CB 3.68Å; F140-A228 HydrophobicContact CG-CB 4.11Å; F140-A228 HydrophobicContact CZ-CB 4.11Å; F140-I231 HydrophobicContact CE1-CD1 4.39Å; F140-I231 HydrophobicContact CZ-CD1 3.8Å |
| 141 | L | 98.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 46 Ų | 46 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 176.5 | 179.1 | 62.7 | 0 | 0 | 0 | 111.5 | G137 G138 Q143 V144 V145 | G137-L141 PolarHBondContact O-N 3.09Å; G138-L141 PolarHBondContact O-N 2.93Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 2.74Å; L141-V144 PolarHBondContact O-N 3.45Å; L141-V145 HydrophobicContact CD1-CG2 3.92Å; L141-V145 HydrophobicContact CG-CG2 4.25Å; L141-V145 WeakPolarHBondContact O-CG2 3.24Å; L141-V145 PolarHBondContact O-N 3.24Å |
| 142 | D | 98.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.1 | -47.9 | 176.4 | 179.9 | 90.7 | 0 | 0 | 0 | 112 | G138 G139 F140 V145 G146 N188 C189 | G138-D142 WeakPolarHBondContact O-CB 3.24Å; G138-D142 PolarHBondContact O-N 2.71Å; G139-D142 PolarHBondContact O-N 3.24Å; F140-D142 VanDerWaalsContact C-N 3.34Å; F140-D142 PolarHBondContact O-N 2.63Å; D142-V145 PolarHBondContact O-N 3.3Å; D142-G146 PolarHBondContact O-N 3.49Å; D142-N188 PolarHBondContact OD1-ND2 3.35Å; D142-C189 PolarHBondContact OD2-SG 3.49Å |
| 143 | Q | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -34.1 | 178.4 | -69.6 | -54 | -68.6 | 0 | 0 | 113.6 | G139 F140 L141 T147 C189 A192 W221 V224 A228 | G139-Q143 WeakPolarHBondContact O-CG 3.05Å; G139-Q143 PolarHBondContact O-N 2.88Å; G139-Q143 VanDerWaalsContact O-N 3.08Å; F140-Q143 PolarHBondContact O-N 3.01Å; L141-Q143 VanDerWaalsContact C-N 3.32Å; L141-Q143 PolarHBondContact O-N 2.74Å; Q143-T147 WeakPolarHBondContact O-CB 3.28Å; Q143-T147 PolarHBondContact O-N 2.91Å; Q143-T147 VanDerWaalsContact O-N 3.14Å; Q143-T147 PolarHBondContact O-OG1 2.93Å; Q143-C189 PolarHBondContact NE2-SG 3.34Å; Q143-A192 VanDerWaalsContact OE1-N 3.1Å; Q143-W221 HydrophobicContact CG-CH2 4.29Å; Q143-W221 HydrophobicContact CG-CZ2 4.49Å; Q143-V224 HydrophobicContact CG-CG1 4.31Å; Q143-A228 HydrophobicContact CB-CB 3.49Å; Q143-A228 VanDerWaalsContact CB-CB 3.49Å |
| 144 | V | 98.7 | Very high | 97.6 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.127 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 172.6 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | F140 L141 G148 A228 I231 G232 | F140-V144 HydrophobicContact CD1-CG2 3.97Å; F140-V144 HydrophobicContact CE1-CG2 3.7Å; F140-V144 HydrophobicContact CZ-CG2 4.37Å; F140-V144 WeakPolarHBondContact O-CG2 3.39Å; F140-V144 PolarHBondContact O-N 3.09Å; L141-V144 PolarHBondContact O-N 3.45Å; V144-G148 PolarHBondContact O-N 3.12Å; V144-A228 HydrophobicContact CG2-CB 4.02Å; V144-I231 HydrophobicContact CG1-CG2 4.49Å; V144-I231 HydrophobicContact CG2-CB 4.27Å; V144-I231 HydrophobicContact CG2-CG2 4.21Å; V144-G232 WeakPolarHBondContact O-CA 3.46Å |
| 145 | V | 98.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.8 | -48.8 | -177.1 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L141 D142 T147 G148 T149 M185 | L141-V145 HydrophobicContact CD1-CG2 3.92Å; L141-V145 HydrophobicContact CG-CG2 4.25Å; L141-V145 WeakPolarHBondContact O-CG2 3.24Å; L141-V145 PolarHBondContact O-N 3.24Å; D142-V145 PolarHBondContact O-N 3.3Å; V145-T147 VanDerWaalsContact C-N 3.32Å; V145-T147 PolarHBondContact O-N 2.88Å; V145-G148 PolarHBondContact O-N 2.96Å; V145-T149 PolarHBondContact O-N 2.98Å; V145-T149 PolarHBondContact O-OG1 2.98Å; V145-M185 HydrophobicContact CB-CE 4.06Å; V145-M185 HydrophobicContact CG1-CE 3.63Å |
| 146 | G | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D142 L150 | D142-G146 PolarHBondContact O-N 3.49Å; G146-L150 PolarHBondContact O-N 3.5Å; G146-L150 VanDerWaalsContact O-N 3.13Å |
| 147 | T | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.8 | -33.9 | 179.4 | -44.2 | 0 | 0 | 0 | 0 | 111.9 | A64 Q143 V145 L150 L151 L193 P229 A233 | A64-T147 HydrophobicContact CB-CG2 4.38Å; Q143-T147 WeakPolarHBondContact O-CB 3.28Å; Q143-T147 PolarHBondContact O-N 2.91Å; Q143-T147 VanDerWaalsContact O-N 3.14Å; Q143-T147 PolarHBondContact O-OG1 2.93Å; V145-T147 VanDerWaalsContact C-N 3.32Å; V145-T147 PolarHBondContact O-N 2.88Å; T147-L150 WeakPolarHBondContact O-CB 3.34Å; T147-L150 PolarHBondContact O-N 3.43Å; T147-L151 HydrophobicContact CG2-CD2 4.14Å; T147-L151 WeakPolarHBondContact O-CD2 3.45Å; T147-L151 PolarHBondContact O-N 3.47Å; T147-L151 VanDerWaalsContact O-N 3.09Å; T147-L193 WeakPolarHBondContact CG2-O 3.43Å; T147-L193 WeakPolarHBondContact OG1-CA 3.37Å; T147-P229 HydrophobicContact CG2-CB 3.9Å; T147-P229 VanDerWaalsContact CG2-O 3.23Å; T147-P229 WeakPolarHBondContact CG2-O 3.32Å; T147-P229 WeakPolarHBondContact OG1-CA 3.38Å; T147-P229 WeakPolarHBondContact OG1-CB 3.44Å; T147-A233 HydrophobicContact CG2-CB 4.05Å |
| 148 | G | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V144 V145 L150 L151 L152 G232 G236 | V144-G148 PolarHBondContact O-N 3.12Å; V145-G148 PolarHBondContact O-N 2.96Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.36Å; G148-L151 PolarHBondContact O-N 3.45Å; G148-L152 VanDerWaalsContact O-CB 3.31Å; G148-L152 WeakPolarHBondContact O-CB 3.23Å; G148-L152 PolarHBondContact O-N 3.46Å; G148-G232 WeakPolarHBondContact CA-O 3.02Å; G148-G236 WeakPolarHBondContact O-CA 3.49Å |
| 149 | T | 98.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 31% | 0.307 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | V145 L151 L152 C153 I181 | V145-T149 PolarHBondContact O-N 2.98Å; V145-T149 PolarHBondContact O-OG1 2.98Å; T149-L151 PolarHBondContact O-N 2.91Å; T149-L152 PolarHBondContact O-N 3.26Å; T149-C153 WeakPolarHBondContact O-CB 3.23Å; T149-C153 PolarHBondContact O-N 3.49Å; T149-C153 PolarHBondContact O-SG 2.86Å; T149-C153 VanDerWaalsContact O-SG 3.33Å; T149-I181 HydrophobicContact CG2-CD1 4.19Å; T149-I181 HydrophobicContact CG2-CG1 4.17Å |
| 150 | L | 98.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.3 | -52.4 | 174.7 | 175.9 | 63.8 | 0 | 0 | 0 | 111.3 | G146 T147 G148 C153 I154 V177 V178 I181 | G146-L150 PolarHBondContact O-N 3.5Å; G146-L150 VanDerWaalsContact O-N 3.13Å; T147-L150 WeakPolarHBondContact O-CB 3.34Å; T147-L150 PolarHBondContact O-N 3.43Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.36Å; L150-C153 PolarHBondContact O-N 2.9Å; L150-I154 HydrophobicContact CD1-CG2 3.96Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 WeakPolarHBondContact O-CG2 3.31Å; L150-I154 PolarHBondContact O-N 3.37Å; L150-I154 VanDerWaalsContact O-N 3.08Å; L150-V177 HydrophobicContact CD1-CG1 3.98Å; L150-V178 HydrophobicContact CD1-CG2 3.89Å; L150-I181 HydrophobicContact CB-CD1 3.77Å; L150-I181 HydrophobicContact CD1-CD1 4.36Å |
| 151 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -42.4 | -178 | -88.3 | -62.9 | 0 | 0 | 0 | 112.2 | V65 C68 T147 G148 T149 C153 I154 L155 A233 | V65-L151 HydrophobicContact CG2-CD1 4.32Å; V65-L151 HydrophobicContact CG2-CD2 4.04Å; C68-L151 HydrophobicContact CB-CD1 3.95Å; T147-L151 HydrophobicContact CG2-CD2 4.14Å; T147-L151 WeakPolarHBondContact O-CD2 3.45Å; T147-L151 PolarHBondContact O-N 3.47Å; T147-L151 VanDerWaalsContact O-N 3.09Å; G148-L151 PolarHBondContact O-N 3.45Å; T149-L151 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact C-N 3.25Å; L151-C153 PolarHBondContact O-N 2.89Å; L151-I154 HydrophobicContact CD1-CD1 4.19Å; L151-I154 HydrophobicContact CD1-CG1 4.41Å; L151-I154 PolarHBondContact O-N 3.42Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.13Å; L151-A233 HydrophobicContact CD2-CB 3.52Å; L151-A233 HydrophobicContact CG-CB 3.71Å |
| 152 | L | 95.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.5 | -42.2 | 177 | -175.2 | 65.7 | 0 | 0 | 0 | 111.7 | G148 T149 L239 Y240 | G148-L152 VanDerWaalsContact O-CB 3.31Å; G148-L152 WeakPolarHBondContact O-CB 3.23Å; G148-L152 PolarHBondContact O-N 3.46Å; T149-L152 PolarHBondContact O-N 3.26Å; L152-L239 HydrophobicContact CD1-CB 4.27Å; L152-Y240 HydrophobicContact CD1-CD2 4.48Å |
| 153 | C | 96.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 32% | 0.324 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -77.9 | -36.8 | -178.4 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | T149 L150 L151 S156 V177 | T149-C153 WeakPolarHBondContact O-CB 3.23Å; T149-C153 PolarHBondContact O-N 3.49Å; T149-C153 PolarHBondContact O-SG 2.86Å; T149-C153 VanDerWaalsContact O-SG 3.33Å; L150-C153 PolarHBondContact O-N 2.9Å; L151-C153 VanDerWaalsContact C-N 3.25Å; L151-C153 PolarHBondContact O-N 2.89Å; C153-S156 PolarHBondContact O-OG 3.04Å; C153-S156 VanDerWaalsContact O-OG 3.07Å; C153-V177 HydrophobicContact CB-CG1 3.75Å; C153-V177 HydrophobicContact CB-CG2 3.95Å |
| 154 | I | 96 | Very high | 95.3 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -83.5 | -23.3 | -174.1 | 70.7 | 176.9 | 0 | 0 | 0 | 113.6 | V65 L150 L151 L157 V174 | V65-I154 HydrophobicContact CG1-CD1 4.4Å; V65-I154 HydrophobicContact CG2-CD1 4.26Å; L150-I154 HydrophobicContact CD1-CG2 3.96Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 WeakPolarHBondContact O-CG2 3.31Å; L150-I154 PolarHBondContact O-N 3.37Å; L150-I154 VanDerWaalsContact O-N 3.08Å; L151-I154 HydrophobicContact CD1-CD1 4.19Å; L151-I154 HydrophobicContact CD1-CG1 4.41Å; L151-I154 PolarHBondContact O-N 3.42Å; I154-L157 HydrophobicContact CB-CD1 4.3Å; I154-L157 HydrophobicContact CG2-CD1 4.43Å; I154-L157 WeakPolarHBondContact O-CB 3.28Å; I154-L157 PolarHBondContact O-N 3.4Å; I154-V174 HydrophobicContact CB-CG2 4.46Å; I154-V174 HydrophobicContact CG2-CG1 4.35Å; I154-V174 HydrophobicContact CG2-CG2 3.96Å |
| 155 | L | 94.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -179.1 | -73.4 | 173.5 | 0 | 0 | 0 | 112.1 | F69 L72 L151 L157 T237 Y240 | F69-L155 HydrophobicContact CE1-CD2 4.16Å; L72-L155 HydrophobicContact CD1-CD1 4.41Å; L72-L155 HydrophobicContact CD1-CD2 3.45Å; L72-L155 VanDerWaalsContact CD1-CD2 3.45Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.13Å; L155-L157 PolarHBondContact O-N 3.3Å; L155-T237 HydrophobicContact CD1-CG2 3.91Å; L155-Y240 HydrophobicContact CB-CD1 3.8Å; L155-Y240 HydrophobicContact CB-CD2 4.16Å; L155-Y240 HydrophobicContact CB-CE1 3.93Å; L155-Y240 HydrophobicContact CB-CE2 4.31Å; L155-Y240 HydrophobicContact CB-CG 3.92Å; L155-Y240 HydrophobicContact CD1-CD1 3.9Å; L155-Y240 HydrophobicContact CD1-CG 4.01Å; L155-Y240 HydrophobicContact CG-CD1 4.48Å |
| 156 | S | 92.9 | Very high | 95 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64.3 | -25.6 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | C153 T158 E159 | C153-S156 PolarHBondContact O-OG 3.04Å; C153-S156 VanDerWaalsContact O-OG 3.07Å; S156-T158 PolarHBondContact O-N 3.33Å; S156-E159 PolarHBondContact O-N 3.4Å |
| 157 | L | 94.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -62.3 | -21.1 | -174.4 | -58.3 | -179 | 0 | 0 | 0 | 113.6 | I154 L155 A165 I173 V174 | I154-L157 HydrophobicContact CB-CD1 4.3Å; I154-L157 HydrophobicContact CG2-CD1 4.43Å; I154-L157 WeakPolarHBondContact O-CB 3.28Å; I154-L157 PolarHBondContact O-N 3.4Å; L155-L157 PolarHBondContact O-N 3.3Å; L157-A165 HydrophobicContact CB-CB 4.22Å; L157-A165 HydrophobicContact CD2-CB 4.11Å; L157-A165 PolarHBondContact O-N 3.43Å; L157-I173 HydrophobicContact CD1-CB 4.41Å; L157-I173 HydrophobicContact CD1-CG2 3.87Å; L157-I173 HydrophobicContact CD2-CG2 3.58Å; L157-I173 HydrophobicContact CG-CG2 4.4Å; L157-V174 HydrophobicContact CD1-CG2 3.67Å |
| 158 | T | 90.5 | Very high | 94.4 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -117.1 | 2.8 | -177.9 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | S156 K160 I170 | S156-T158 PolarHBondContact O-N 3.33Å; T158-K160 PolarHBondContact O-N 3.11Å; T158-I170 HydrophobicContact CG2-CD1 3.93Å |
| 159 | E | 92.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | trans | -83.1 | 114.6 | -178.4 | 175 | 53.8 | -100.3 | 0 | 0 | 110.3 | S156 R161 N162 P164 Y240 L248 | S156-E159 PolarHBondContact O-N 3.4Å; E159-R161 HydrophobicContact CG-CB 4.47Å; E159-R161 WeakPolarHBondContact OE1-CB 3.13Å; E159-R161 IonicContact OE1-CZ 3.84Å; E159-R161 PolarHBondContact OE1-N 3.19Å; E159-R161 IonicContact OE1-NE 2.9Å; E159-R161 PolarHBondContact OE1-NE 2.95Å; E159-R161 VanDerWaalsContact OE1-NE 3.13Å; E159-R161 IonicContact OE1-NH2 2.77Å; E159-R161 IonicContact OE2-CZ 3.23Å; E159-R161 IonicContact OE2-NE 2.88Å; E159-R161 IonicContact OE2-NH2 3.89Å; E159-R161 PolarHBondContact OE2-NH2 3.29Å; E159-N162 HydrophobicContact CB-CB 4.38Å; E159-N162 HydrophobicContact CG-CB 4Å; E159-N162 PolarHBondContact O-N 2.91Å; E159-P164 WeakPolarHBondContact O-CD 3.47Å; E159-Y240 WeakPolarHBondContact CB-OH 3.43Å; E159-Y240 WeakPolarHBondContact CG-OH 3.44Å; E159-L248 HydrophobicContact CG-CD1 3.44Å; E159-L248 VanDerWaalsContact CG-CD1 3.44Å | ||
| 160 | K | 91.9 | Very high | 94.1 | Very high | 161 Ų | 161 | 55.4 Ų | 55.4 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -27.4 | -175.4 | -65.6 | -178 | -178.7 | 177.7 | 0 | 113.1 | T158 N162 | T158-K160 PolarHBondContact O-N 3.11Å; K160-N162 PolarHBondContact O-N 3.17Å |
| 161 | R | 92.2 | Very high | 94.1 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 25% | 0.249 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.5 | 177.7 | -63 | 172.9 | -68.8 | 170.1 | -3.4 | 113.2 | E159 E245 L248 P249 E251 | E159-R161 HydrophobicContact CG-CB 4.47Å; E159-R161 WeakPolarHBondContact OE1-CB 3.13Å; E159-R161 IonicContact OE1-CZ 3.84Å; E159-R161 PolarHBondContact OE1-N 3.19Å; E159-R161 IonicContact OE1-NE 2.9Å; E159-R161 PolarHBondContact OE1-NE 2.95Å; E159-R161 VanDerWaalsContact OE1-NE 3.13Å; E159-R161 IonicContact OE1-NH2 2.77Å; E159-R161 IonicContact OE2-CZ 3.23Å; E159-R161 IonicContact OE2-NE 2.88Å; E159-R161 IonicContact OE2-NH2 3.89Å; E159-R161 PolarHBondContact OE2-NH2 3.29Å; R161-E245 IonicContact CZ-OE1 3.13Å; R161-E245 IonicContact NH2-OE1 3.96Å; R161-E245 PolarHBondContact NH2-OE1 3.46Å; R161-L248 HydrophobicContact CB-CB 3.89Å; R161-L248 HydrophobicContact CB-CD1 3.99Å; R161-L248 HydrophobicContact CB-CG 4.47Å; R161-P249 VanDerWaalsContact CD-O 3.26Å; R161-P249 WeakPolarHBondContact CD-O 3.3Å; R161-P249 WeakPolarHBondContact CG-O 3.4Å; R161-E251 HydrophobicContact CG-CG 3.61Å |
| 162 | N | 92.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -104.3 | -146.5 | 174.8 | -164.6 | -2.3 | 0 | 0 | 0 | 109.9 | E159 K160 P164 L248 | E159-N162 HydrophobicContact CB-CB 4.38Å; E159-N162 HydrophobicContact CG-CB 4Å; E159-N162 PolarHBondContact O-N 2.91Å; K160-N162 PolarHBondContact O-N 3.17Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å; N162-L248 HydrophobicContact CB-CD1 3.96Å; N162-L248 HydrophobicContact CB-CD2 3.84Å |
| 163 | A | 90.7 | Very high | 94.2 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 69% | 0.686 | 32% | 0.324 | S | S | * | . | trans | -103.2 | 85 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 164 | P | 93.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 149.2 | -178.9 | 28.4 | -35.2 | 0 | 0 | 0 | 111 | E159 N162 | E159-P164 WeakPolarHBondContact O-CD 3.47Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å |
| 165 | A | 94.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 148 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L157 I170 I173 | L157-A165 HydrophobicContact CB-CB 4.22Å; L157-A165 HydrophobicContact CD2-CB 4.11Å; L157-A165 PolarHBondContact O-N 3.43Å; A165-I170 HydrophobicContact CB-CG1 4.14Å; A165-I173 HydrophobicContact CB-CD1 3.6Å |
| 166 | P | 95.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 47% | 0.474 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 132.9 | 168.1 | -26.7 | 36.4 | 0 | 0 | 0 | 110.2 | D168 L169 I170 | P166-D168 PolarHBondContact O-N 3.46Å; P166-D168 VanDerWaalsContact O-N 3.07Å; P166-L169 HydrophobicContact CB-CB 4.28Å; P166-L169 HydrophobicContact CB-CD1 4.23Å; P166-L169 HydrophobicContact CB-CG 4.17Å; P166-L169 HydrophobicContact CG-CD1 4.03Å; P166-L169 HydrophobicContact CG-CG 4.5Å; P166-L169 WeakPolarHBondContact O-CA 3.44Å; P166-L169 PolarHBondContact O-N 3.1Å; P166-I170 PolarHBondContact O-N 2.84Å |
| 167 | P | 92.1 | Very high | 94.7 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 58% | 0.578 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -53.5 | -35.9 | -173 | -30.9 | 36.1 | 0 | 0 | 0 | 114.6 | K54 L169 | K54-P167 PolarHBondContact NZ-O 2.93Å; P167-L169 VanDerWaalsContact C-N 3.33Å |
| 168 | D | 93.1 | Very high | 94.9 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 69% | 0.69 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -72.5 | -26 | 178.9 | -60.9 | -29.2 | 0 | 0 | 0 | 112.4 | Y51 P166 | Y51-D168 PolarHBondContact OH-O 3.48Å; P166-D168 PolarHBondContact O-N 3.46Å; P166-D168 VanDerWaalsContact O-N 3.07Å |
| 169 | L | 96.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -91.8 | -3.9 | 179.4 | -62.1 | -175.4 | 0 | 0 | 0 | 114 | P166 P167 A171 P172 I173 | P166-L169 HydrophobicContact CB-CB 4.28Å; P166-L169 HydrophobicContact CB-CD1 4.23Å; P166-L169 HydrophobicContact CB-CG 4.17Å; P166-L169 HydrophobicContact CG-CD1 4.03Å; P166-L169 HydrophobicContact CG-CG 4.5Å; P166-L169 WeakPolarHBondContact O-CA 3.44Å; P166-L169 PolarHBondContact O-N 3.1Å; P167-L169 VanDerWaalsContact C-N 3.33Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 3.39Å; L169-P172 HydrophobicContact CB-CG 4.36Å; L169-P172 HydrophobicContact CD2-CG 4.16Å; L169-P172 WeakPolarHBondContact O-CD 3.37Å; L169-P172 VanDerWaalsContact O-CG 3.23Å; L169-P172 WeakPolarHBondContact O-CG 3.38Å; L169-I173 HydrophobicContact CB-CD1 3.97Å; L169-I173 WeakPolarHBondContact O-CB 3.43Å; L169-I173 WeakPolarHBondContact O-CD1 3.49Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 3.29Å |
| 170 | I | 95.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 178.9 | -70.1 | 174.1 | 0 | 0 | 0 | 111.2 | T158 A165 P166 I173 V174 | T158-I170 HydrophobicContact CG2-CD1 3.93Å; A165-I170 HydrophobicContact CB-CG1 4.14Å; P166-I170 PolarHBondContact O-N 2.84Å; I170-I173 PolarHBondContact O-N 3.36Å; I170-V174 HydrophobicContact CG2-CG2 4.19Å; I170-V174 WeakPolarHBondContact O-CB 3.46Å; I170-V174 VanDerWaalsContact O-CG2 3.25Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 3.43Å |
| 171 | A | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -50.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M47 T50 Y51 L169 I173 V174 A175 | M47-A171 HydrophobicContact CG-CB 4.38Å; T50-A171 HydrophobicContact CG2-CB 3.66Å; Y51-A171 HydrophobicContact CD1-CB 4Å; Y51-A171 HydrophobicContact CD2-CB 3.95Å; Y51-A171 HydrophobicContact CE1-CB 3.82Å; Y51-A171 HydrophobicContact CE2-CB 3.79Å; Y51-A171 HydrophobicContact CG-CB 4.07Å; L169-A171 VanDerWaalsContact C-N 3.3Å; L169-A171 PolarHBondContact O-N 3.39Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 2.98Å; A171-V174 PolarHBondContact O-N 3.48Å; A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 3.16Å |
| 172 | P | 97.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 45 Ų | 45 | 26% | 0.26 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.8 | -32.7 | 176.6 | 20.5 | -30.9 | 0 | 0 | 0 | 113 | M47 Y51 L169 A175 G176 | M47-P172 HydrophobicContact SD-CB 3.82Å; Y51-P172 VanDerWaalsContact OH-CD 3.23Å; Y51-P172 WeakPolarHBondContact OH-CD 3.49Å; L169-P172 HydrophobicContact CB-CG 4.36Å; L169-P172 HydrophobicContact CD2-CG 4.16Å; L169-P172 WeakPolarHBondContact O-CD 3.37Å; L169-P172 VanDerWaalsContact O-CG 3.23Å; L169-P172 WeakPolarHBondContact O-CG 3.38Å; P172-A175 PolarHBondContact O-N 2.93Å; P172-G176 PolarHBondContact O-N 3.31Å |
| 173 | I | 97.9 | Very high | 96.3 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 176.4 | -65.9 | 164.2 | 0 | 0 | 0 | 110.9 | L157 A165 L169 I170 A171 A175 G176 V177 | L157-I173 HydrophobicContact CD1-CB 4.41Å; L157-I173 HydrophobicContact CD1-CG2 3.87Å; L157-I173 HydrophobicContact CD2-CG2 3.58Å; L157-I173 HydrophobicContact CG-CG2 4.4Å; A165-I173 HydrophobicContact CB-CD1 3.6Å; L169-I173 HydrophobicContact CB-CD1 3.97Å; L169-I173 WeakPolarHBondContact O-CB 3.43Å; L169-I173 WeakPolarHBondContact O-CD1 3.49Å; L169-I173 WeakPolarHBondContact O-CG1 3.41Å; L169-I173 PolarHBondContact O-N 3.29Å; I170-I173 PolarHBondContact O-N 3.36Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 2.98Å; I173-A175 VanDerWaalsContact C-N 3.28Å; I173-A175 PolarHBondContact O-N 2.9Å; I173-G176 PolarHBondContact O-N 2.7Å; I173-G176 VanDerWaalsContact O-N 3.1Å; I173-V177 WeakPolarHBondContact O-CG2 3.33Å; I173-V177 PolarHBondContact O-N 3Å |
| 174 | V | 97.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | V46 I154 L157 I170 A171 G176 V177 V178 | V46-V174 HydrophobicContact CG1-CG1 4.06Å; I154-V174 HydrophobicContact CB-CG2 4.46Å; I154-V174 HydrophobicContact CG2-CG1 4.35Å; I154-V174 HydrophobicContact CG2-CG2 3.96Å; L157-V174 HydrophobicContact CD1-CG2 3.67Å; I170-V174 HydrophobicContact CG2-CG2 4.19Å; I170-V174 WeakPolarHBondContact O-CB 3.46Å; I170-V174 VanDerWaalsContact O-CG2 3.25Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 3.43Å; A171-V174 PolarHBondContact O-N 3.48Å; V174-G176 VanDerWaalsContact C-N 3.35Å; V174-G176 PolarHBondContact O-N 2.9Å; V174-V177 PolarHBondContact O-N 3.5Å; V174-V178 WeakPolarHBondContact O-CG2 3.2Å; V174-V178 PolarHBondContact O-N 3.16Å |
| 175 | A | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A43 M47 A171 P172 I173 V178 L179 | A43-A175 HydrophobicContact CB-CB 4.42Å; A43-A175 WeakPolarHBondContact CB-O 3.43Å; A43-A175 VanDerWaalsContact O-CB 3.24Å; A43-A175 WeakPolarHBondContact O-CB 3.33Å; M47-A175 HydrophobicContact CB-CB 3.72Å; M47-A175 HydrophobicContact CG-CB 4.5Å; A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 3.16Å; P172-A175 PolarHBondContact O-N 2.93Å; I173-A175 VanDerWaalsContact C-N 3.28Å; I173-A175 PolarHBondContact O-N 2.9Å; A175-V178 PolarHBondContact O-N 3.09Å; A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 3.33Å |
| 176 | G | 98.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 46 Ų | 46 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P172 I173 V174 L179 G180 | P172-G176 PolarHBondContact O-N 3.31Å; I173-G176 PolarHBondContact O-N 2.7Å; I173-G176 VanDerWaalsContact O-N 3.1Å; V174-G176 VanDerWaalsContact C-N 3.35Å; V174-G176 PolarHBondContact O-N 2.9Å; G176-L179 WeakPolarHBondContact O-CB 3.36Å; G176-L179 PolarHBondContact O-N 3.01Å; G176-G180 PolarHBondContact O-N 2.91Å |
| 177 | V | 98.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L150 C153 I173 V174 L179 G180 I181 | L150-V177 HydrophobicContact CD1-CG1 3.98Å; C153-V177 HydrophobicContact CB-CG1 3.75Å; C153-V177 HydrophobicContact CB-CG2 3.95Å; I173-V177 WeakPolarHBondContact O-CG2 3.33Å; I173-V177 PolarHBondContact O-N 3Å; V174-V177 PolarHBondContact O-N 3.5Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.33Å; V177-G180 PolarHBondContact O-N 3.42Å; V177-I181 HydrophobicContact CG1-CD1 3.85Å; V177-I181 WeakPolarHBondContact O-CG1 3.43Å; V177-I181 PolarHBondContact O-N 3.08Å |
| 178 | V | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | V46 L150 V174 A175 G180 I181 I182 | V46-V178 HydrophobicContact CG1-CG2 4.47Å; V46-V178 HydrophobicContact CG2-CG1 4.37Å; L150-V178 HydrophobicContact CD1-CG2 3.89Å; V174-V178 WeakPolarHBondContact O-CG2 3.2Å; V174-V178 PolarHBondContact O-N 3.16Å; A175-V178 PolarHBondContact O-N 3.09Å; V178-G180 PolarHBondContact O-N 3.06Å; V178-I181 PolarHBondContact O-N 3.34Å; V178-I182 HydrophobicContact CG1-CD1 4.39Å; V178-I182 HydrophobicContact CG1-CG2 4.43Å; V178-I182 WeakPolarHBondContact O-CG1 3.06Å; V178-I182 WeakPolarHBondContact O-CG2 3.33Å; V178-I182 PolarHBondContact O-N 2.99Å |
| 179 | L | 98.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57 | -48.9 | 176.8 | -177.1 | 58.7 | 0 | 0 | 0 | 111.7 | H39 L40 A43 A175 G176 V177 I181 I182 M183 | H39-L179 HydrophobicContact CB-CD1 3.86Å; L40-L179 HydrophobicContact CD2-CD1 4.12Å; L40-L179 HydrophobicContact CD2-CD2 3.9Å; L40-L179 HydrophobicContact CG-CD1 4.49Å; A43-L179 HydrophobicContact CB-CB 3.74Å; A43-L179 HydrophobicContact CB-CD1 4.13Å; A43-L179 HydrophobicContact CB-CD2 4.48Å; A43-L179 HydrophobicContact CB-CG 4.33Å; A175-L179 WeakPolarHBondContact O-CB 3.26Å; A175-L179 PolarHBondContact O-N 3.33Å; G176-L179 WeakPolarHBondContact O-CB 3.36Å; G176-L179 PolarHBondContact O-N 3.01Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.33Å; L179-I181 PolarHBondContact O-N 2.8Å; L179-I182 WeakPolarHBondContact O-CG1 3.48Å; L179-I182 PolarHBondContact O-N 2.8Å; L179-M183 HydrophobicContact CD1-CG 3.99Å; L179-M183 HydrophobicContact CD1-SD 3.69Å; L179-M183 HydrophobicContact CD2-SD 4.4Å; L179-M183 HydrophobicContact CG-CG 4.39Å; L179-M183 HydrophobicContact CG-SD 3.75Å; L179-M183 VanDerWaalsContact O-CB 3.3Å; L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.29Å; L179-M183 PolarHBondContact O-N 3.11Å |
| 180 | G | 98.4 | Very high | 96.9 | Very high | 37 Ų | 37 | 35.6 Ų | 35.6 | 38% | 0.381 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | G176 V177 V178 M183 S184 | G176-G180 PolarHBondContact O-N 2.91Å; V177-G180 PolarHBondContact O-N 3.42Å; V178-G180 PolarHBondContact O-N 3.06Å; G180-M183 PolarHBondContact O-N 2.81Å; G180-S184 WeakPolarHBondContact O-CB 3.43Å; G180-S184 PolarHBondContact O-N 3.01Å; G180-S184 VanDerWaalsContact O-N 3.11Å; G180-S184 PolarHBondContact O-OG 2.88Å |
| 181 | I | 98.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -51.6 | 178.3 | -65.9 | 165.5 | 0 | 0 | 0 | 110.6 | T149 L150 V177 V178 L179 M183 S184 M185 L193 | T149-I181 HydrophobicContact CG2-CD1 4.19Å; T149-I181 HydrophobicContact CG2-CG1 4.17Å; L150-I181 HydrophobicContact CB-CD1 3.77Å; L150-I181 HydrophobicContact CD1-CD1 4.36Å; V177-I181 HydrophobicContact CG1-CD1 3.85Å; V177-I181 WeakPolarHBondContact O-CG1 3.43Å; V177-I181 PolarHBondContact O-N 3.08Å; V178-I181 PolarHBondContact O-N 3.34Å; L179-I181 PolarHBondContact O-N 2.8Å; I181-M183 VanDerWaalsContact C-N 3.3Å; I181-M183 PolarHBondContact O-N 3.2Å; I181-S184 PolarHBondContact O-N 3.39Å; I181-S184 VanDerWaalsContact O-N 3.15Å; I181-S184 PolarHBondContact O-OG 2.73Å; I181-M185 HydrophobicContact CG2-CB 4.46Å; I181-M185 HydrophobicContact CG2-SD 4.07Å; I181-M185 WeakPolarHBondContact O-CB 3.27Å; I181-M185 PolarHBondContact O-N 3.49Å; I181-L193 HydrophobicContact CB-CD1 4.42Å; I181-L193 HydrophobicContact CG2-CD1 3.66Å; I181-L193 HydrophobicContact CG2-CD2 4.04Å; I181-L193 HydrophobicContact CG2-CG 4.48Å |
| 182 | I | 97.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -27.5 | -177.1 | 67.7 | -170.9 | 0 | 0 | 0 | 112.3 | H39 W42 V178 L179 S184 S186 A191 L193 | H39-I182 HydrophobicContact CB-CD1 3.79Å; H39-I182 HydrophobicContact CB-CG1 3.83Å; H39-I182 PolarHBondContact CE1-O 3.26Å; H39-I182 PolarHBondContact NE2-O 2.76Å; H39-I182 WeakPolarHBondContact O-CD1 3.48Å; W42-I182 HydrophobicContact CB-CD1 3.76Å; W42-I182 HydrophobicContact CG-CD1 4.44Å; V178-I182 HydrophobicContact CG1-CD1 4.39Å; V178-I182 HydrophobicContact CG1-CG2 4.43Å; V178-I182 WeakPolarHBondContact O-CG1 3.06Å; V178-I182 WeakPolarHBondContact O-CG2 3.33Å; V178-I182 PolarHBondContact O-N 2.99Å; L179-I182 WeakPolarHBondContact O-CG1 3.48Å; L179-I182 PolarHBondContact O-N 2.8Å; I182-S184 VanDerWaalsContact C-N 3.33Å; I182-S186 WeakPolarHBondContact O-CB 3.34Å; I182-S186 PolarHBondContact O-OG 2.89Å; I182-A191 HydrophobicContact CB-CB 4.39Å; I182-A191 HydrophobicContact CG2-CB 3.86Å; I182-L193 HydrophobicContact CG2-CD1 4.1Å |
| 183 | M | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 50% | 0.502 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.2 | -27.7 | 172.6 | -75.1 | -179 | 65 | 0 | 0 | 113.4 | L36 H39 L179 G180 I181 | L36-M183 HydrophobicContact CD1-CE 3.77Å; L36-M183 HydrophobicContact CD1-SD 3.99Å; H39-M183 HydrophobicContact CB-CG 4.01Å; L179-M183 HydrophobicContact CD1-CG 3.99Å; L179-M183 HydrophobicContact CD1-SD 3.69Å; L179-M183 HydrophobicContact CD2-SD 4.4Å; L179-M183 HydrophobicContact CG-CG 4.39Å; L179-M183 HydrophobicContact CG-SD 3.75Å; L179-M183 VanDerWaalsContact O-CB 3.3Å; L179-M183 WeakPolarHBondContact O-CB 3.33Å; L179-M183 VanDerWaalsContact O-CG 3.23Å; L179-M183 WeakPolarHBondContact O-CG 3.29Å; L179-M183 PolarHBondContact O-N 3.11Å; G180-M183 PolarHBondContact O-N 2.81Å; I181-M183 VanDerWaalsContact C-N 3.3Å; I181-M183 PolarHBondContact O-N 3.2Å |
| 184 | S | 97.2 | Very high | 96.7 | Very high | 90 Ų | 90 | 30.9 Ų | 30.9 | 63% | 0.629 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -103.6 | -23.1 | -174.4 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | G180 I181 I182 | G180-S184 WeakPolarHBondContact O-CB 3.43Å; G180-S184 PolarHBondContact O-N 3.01Å; G180-S184 VanDerWaalsContact O-N 3.11Å; G180-S184 PolarHBondContact O-OG 2.88Å; I181-S184 PolarHBondContact O-N 3.39Å; I181-S184 VanDerWaalsContact O-N 3.15Å; I181-S184 PolarHBondContact O-OG 2.73Å; I182-S184 VanDerWaalsContact C-N 3.33Å |
| 185 | M | 95.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 30 Ų | 30 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -132.5 | 8.4 | -166.7 | -53.6 | 175.4 | 73.1 | 0 | 0 | 114.1 | V145 I181 | V145-M185 HydrophobicContact CB-CE 4.06Å; V145-M185 HydrophobicContact CG1-CE 3.63Å; I181-M185 HydrophobicContact CG2-CB 4.46Å; I181-M185 HydrophobicContact CG2-SD 4.07Å; I181-M185 WeakPolarHBondContact O-CB 3.27Å; I181-M185 PolarHBondContact O-N 3.49Å |
| 186 | S | 94.8 | Very high | 96.8 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | trans | -85.9 | -18.4 | -178 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | H39 I182 N188 C189 G190 | H39-S186 PolarHBondContact CE1-OG 2.73Å; H39-S186 PolarHBondContact NE2-OG 3.14Å; I182-S186 WeakPolarHBondContact O-CB 3.34Å; I182-S186 PolarHBondContact O-OG 2.89Å; S186-N188 PolarHBondContact O-N 3.23Å; S186-N188 VanDerWaalsContact O-N 3.15Å; S186-C189 PolarHBondContact O-N 2.88Å; S186-G190 VanDerWaalsContact O-CA 3.23Å; S186-G190 WeakPolarHBondContact O-CA 3.39Å; S186-G190 PolarHBondContact O-N 2.91Å | ||
| 187 | A | 94.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 29.1 Ų | 29.1 | 63% | 0.628 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T131 | T131-A187 PolarHBondContact OG1-O 3.16Š|
| 188 | N | 96.8 | Very high | 96.8 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -53 | -178.8 | -71.3 | -32.9 | 0 | 0 | 0 | 112.1 | T131 Y133 L134 D142 S186 | T131-N188 PolarHBondContact N-O 3.42Å; T131-N188 PolarHBondContact OG1-O 2.86Å; Y133-N188 PolarHBondContact OH-OD1 3.14Å; L134-N188 HydrophobicContact CD1-CB 4.18Å; L134-N188 HydrophobicContact CD2-CB 3.81Å; L134-N188 WeakPolarHBondContact CD2-O 3.47Å; D142-N188 PolarHBondContact OD1-ND2 3.35Å; S186-N188 PolarHBondContact O-N 3.23Å; S186-N188 VanDerWaalsContact O-N 3.15Å |
| 189 | C | 96.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -150.1 | 29.2 | -173.4 | 67.2 | 0 | 0 | 0 | 0 | 114.8 | T128 P130 L134 D142 Q143 S186 A191 W221 | T128-C189 VanDerWaalsContact CB-O 3.32Å; T128-C189 WeakPolarHBondContact CB-O 3.37Å; T128-C189 PolarHBondContact OG1-O 3.44Å; P130-C189 HydrophobicContact CB-CB 3.95Å; L134-C189 HydrophobicContact CD2-CB 3.94Å; D142-C189 PolarHBondContact OD2-SG 3.49Å; Q143-C189 PolarHBondContact NE2-SG 3.34Å; S186-C189 PolarHBondContact O-N 2.88Å; C189-A191 VanDerWaalsContact C-N 3.34Å; C189-A191 PolarHBondContact O-N 3.37Å; C189-W221 HydrophobicContact CB-CH2 3.64Å; C189-W221 HydrophobicContact CB-CZ2 3.57Å; C189-W221 VanDerWaalsContact SG-CH2 3.54Å |
| 190 | G | 92.8 | Very high | 96.9 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 32% | 0.32 | 18% | 0.175 | S | C | . | . | trans | 78.7 | 9.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S186 A192 | S186-G190 VanDerWaalsContact O-CA 3.23Å; S186-G190 WeakPolarHBondContact O-CA 3.39Å; S186-G190 PolarHBondContact O-N 2.91Å; G190-A192 PolarHBondContact O-N 3.39Å | ||
| 191 | A | 93.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | trans | 44.3 | 66.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I182 C189 L193 | I182-A191 HydrophobicContact CB-CB 4.39Å; I182-A191 HydrophobicContact CG2-CB 3.86Å; C189-A191 VanDerWaalsContact C-N 3.34Å; C189-A191 PolarHBondContact O-N 3.37Å; A191-L193 HydrophobicContact CB-CD1 4.27Å; A191-L193 HydrophobicContact CB-CG 4.2Å; A191-L193 WeakPolarHBondContact O-CG 3.47Å | ||
| 192 | A | 94.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | trans | -62.8 | -47.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T128 Q143 G190 N194 R197 D198 P225 | T128-A192 HydrophobicContact CG2-CB 3.78Å; Q143-A192 VanDerWaalsContact OE1-N 3.1Å; G190-A192 PolarHBondContact O-N 3.39Å; A192-N194 PolarHBondContact O-N 2.84Å; A192-R197 WeakPolarHBondContact O-CD 3.28Å; A192-D198 HydrophobicContact CB-CB 4.43Å; A192-P225 HydrophobicContact CB-CB 3.76Å; A192-P225 HydrophobicContact CB-CG 4.24Å | ||
| 193 | L | 96.6 | Very high | 97 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | trans | 58.1 | -9.9 | 173.1 | -51.5 | 172.7 | 0 | 0 | 0 | 116.6 | N62 T147 I181 I182 A191 | N62-L193 PolarHBondContact ND2-O 3.22Å; T147-L193 WeakPolarHBondContact CG2-O 3.43Å; T147-L193 WeakPolarHBondContact OG1-CA 3.37Å; I181-L193 HydrophobicContact CB-CD1 4.42Å; I181-L193 HydrophobicContact CG2-CD1 3.66Å; I181-L193 HydrophobicContact CG2-CD2 4.04Å; I181-L193 HydrophobicContact CG2-CG 4.48Å; I182-L193 HydrophobicContact CG2-CD1 4.1Å; A191-L193 HydrophobicContact CB-CD1 4.27Å; A191-L193 HydrophobicContact CB-CG 4.2Å; A191-L193 WeakPolarHBondContact O-CG 3.47Å | ||
| 194 | N | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | trans | -150.4 | 115.4 | -164.1 | 172.2 | -14.8 | 0 | 0 | 0 | 109.3 | L61 N62 P63 A192 A196 R197 D198 | L61-N194 PolarHBondContact O-ND2 3.39Å; N62-N194 HydrophobicContact CB-CB 4.19Å; N62-N194 WeakPolarHBondContact CB-ND2 3.16Å; N62-N194 VanDerWaalsContact CG-CG 3.45Å; N62-N194 WeakPolarHBondContact ND2-CB 3.47Å; N62-N194 WeakPolarHBondContact OD1-CA 3.48Å; P63-N194 VanDerWaalsContact CD-OD1 3.28Å; P63-N194 WeakPolarHBondContact CD-OD1 3.31Å; A192-N194 PolarHBondContact O-N 2.84Å; N194-A196 VanDerWaalsContact C-N 3.34Å; N194-A196 PolarHBondContact O-N 3.16Å; N194-A196 PolarHBondContact OD1-N 2.82Å; N194-R197 HydrophobicContact CB-CB 3.51Å; N194-R197 HydrophobicContact CB-CG 4.37Å; N194-R197 VanDerWaalsContact CG-CB 3.44Å; N194-R197 VanDerWaalsContact O-CB 3.3Å; N194-R197 WeakPolarHBondContact O-CB 3.42Å; N194-R197 PolarHBondContact O-N 3.28Å; N194-R197 VanDerWaalsContact O-N 3.09Å; N194-R197 PolarHBondContact OD1-N 3.49Å; N194-D198 PolarHBondContact O-N 3.33Å | ||
| 195 | P | 98.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -38.7 | -179.2 | -28.9 | 37.8 | 0 | 0 | 0 | 114.1 | N62 P63 R197 D198 L199 P225 I226 P229 I230 | N62-P195 VanDerWaalsContact OD1-CD 3.24Å; N62-P195 WeakPolarHBondContact OD1-CD 3.28Å; P63-P195 HydrophobicContact CB-CB 4.12Å; P63-P195 HydrophobicContact CB-CG 4.16Å; P63-P195 HydrophobicContact CG-CB 4.04Å; P63-P195 HydrophobicContact CG-CG 4.5Å; P195-R197 VanDerWaalsContact C-N 3.33Å; P195-D198 PolarHBondContact O-N 2.86Å; P195-L199 VanDerWaalsContact O-CB 3.28Å; P195-L199 WeakPolarHBondContact O-CB 3.35Å; P195-L199 PolarHBondContact O-N 3.16Å; P195-P225 WeakPolarHBondContact CA-O 3.4Å; P195-I226 HydrophobicContact CB-CG2 4.39Å; P195-I226 WeakPolarHBondContact CG-O 3.38Å; P195-P229 HydrophobicContact CG-CB 4.22Å; P195-I230 HydrophobicContact CG-CG1 4.28Å |
| 196 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.4 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | P63 Q87 I88 A91 N194 D198 G200 | P63-A196 HydrophobicContact CG-CB 3.72Å; Q87-A196 HydrophobicContact CB-CB 3.62Å; I88-A196 HydrophobicContact CG1-CB 4.01Å; A91-A196 WeakPolarHBondContact CB-O 3.39Å; N194-A196 VanDerWaalsContact C-N 3.34Å; N194-A196 PolarHBondContact O-N 3.16Å; N194-A196 PolarHBondContact OD1-N 2.82Å; A196-D198 PolarHBondContact O-N 3.35Å; A196-G200 PolarHBondContact O-N 3.03Å |
| 197 | R | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -33.5 | 174.8 | 177 | -75.9 | -177.6 | -115.7 | 2.7 | 110.7 | M14 K15 W42 A192 N194 P195 P201 | M14-R197 HydrophobicContact CE-CB 4.32Å; K15-R197 VanDerWaalsContact CE-CA 3.48Å; K15-R197 WeakPolarHBondContact CE-O 3.27Å; K15-R197 VanDerWaalsContact NZ-CA 3.33Å; K15-R197 VanDerWaalsContact NZ-CG 3.32Å; K15-R197 PolarHBondContact NZ-O 2.84Å; W42-R197 HydrophobicContact CH2-CG 4.18Å; W42-R197 VanDerWaalsContact CZ2-NH2 3.32Å; W42-R197 HydrophobicContact CZ3-CG 4.17Å; A192-R197 WeakPolarHBondContact O-CD 3.28Å; N194-R197 HydrophobicContact CB-CB 3.51Å; N194-R197 HydrophobicContact CB-CG 4.37Å; N194-R197 VanDerWaalsContact CG-CB 3.44Å; N194-R197 VanDerWaalsContact O-CB 3.3Å; N194-R197 WeakPolarHBondContact O-CB 3.42Å; N194-R197 PolarHBondContact O-N 3.28Å; N194-R197 VanDerWaalsContact O-N 3.09Å; N194-R197 PolarHBondContact OD1-N 3.49Å; P195-R197 VanDerWaalsContact C-N 3.33Å; R197-P201 WeakPolarHBondContact O-CD 3.49Å; R197-P201 WeakPolarHBondContact O-CG 3.14Å |
| 198 | D | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -94.4 | -52.8 | -179.9 | -167.2 | -101.2 | 0 | 0 | 0 | 113.1 | T128 A192 N194 P195 A196 G200 P201 R202 P225 | T128-D198 PolarHBondContact N-OD2 2.83Å; T128-D198 PolarHBondContact OG1-OD2 3.38Å; A192-D198 HydrophobicContact CB-CB 4.43Å; N194-D198 PolarHBondContact O-N 3.33Å; P195-D198 PolarHBondContact O-N 2.86Å; A196-D198 PolarHBondContact O-N 3.35Å; D198-G200 PolarHBondContact O-N 3.23Å; D198-P201 WeakPolarHBondContact O-CD 3.44Å; D198-R202 VanDerWaalsContact CG-NH2 3.27Å; D198-R202 VanDerWaalsContact O-CB 3.28Å; D198-R202 WeakPolarHBondContact O-CB 3.36Å; D198-R202 PolarHBondContact O-N 2.97Å; D198-R202 IonicContact OD1-CZ 3.71Å; D198-R202 VanDerWaalsContact OD1-CZ 3.23Å; D198-R202 IonicContact OD1-NE 3.62Å; D198-R202 PolarHBondContact OD1-NE 3.46Å; D198-R202 IonicContact OD1-NH2 2.73Å; D198-R202 PolarHBondContact OD1-NH2 3.47Å; D198-R202 IonicContact OD2-NH2 3.08Å; D198-R202 PolarHBondContact OD2-NH2 3.47Å; D198-R202 VanDerWaalsContact OD2-NH2 3.08Å; D198-P225 HydrophobicContact CB-CB 3.53Å; D198-P225 HydrophobicContact CB-CG 4.32Å |
| 199 | L | 98.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 20.3 Ų | 20.3 | 18% | 0.183 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | -169.9 | -179.8 | 58.8 | 0 | 0 | 0 | 113.1 | I88 P195 R202 L203 F215 I226 | I88-L199 HydrophobicContact CD1-CD2 4Å; I88-L199 HydrophobicContact CG2-CG 4.49Å; P195-L199 VanDerWaalsContact O-CB 3.28Å; P195-L199 WeakPolarHBondContact O-CB 3.35Å; P195-L199 PolarHBondContact O-N 3.16Å; L199-R202 PolarHBondContact O-N 2.95Å; L199-L203 HydrophobicContact CD1-CD1 4.15Å; L199-L203 HydrophobicContact CD1-CG 4.05Å; L199-L203 HydrophobicContact CG-CD1 4.04Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.02Å; L199-F215 HydrophobicContact CD1-CE1 4.15Å; L199-F215 HydrophobicContact CD1-CZ 4.39Å; L199-I226 HydrophobicContact CB-CD1 4.4Å; L199-I226 HydrophobicContact CB-CG1 4.47Å; L199-I226 HydrophobicContact CD1-CD1 4.14Å; L199-I226 HydrophobicContact CD2-CD1 4.06Å; L199-I226 HydrophobicContact CG-CD1 4.43Å |
| 200 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -55.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y92 A196 D198 R202 L203 L204 | Y92-G200 WeakPolarHBondContact CD2-O 3.3Å; A196-G200 PolarHBondContact O-N 3.03Å; D198-G200 PolarHBondContact O-N 3.23Å; G200-R202 VanDerWaalsContact C-N 3.3Å; G200-R202 PolarHBondContact O-N 3.25Å; G200-L203 WeakPolarHBondContact O-CB 3.42Å; G200-L203 PolarHBondContact O-N 3.48Å; G200-L204 PolarHBondContact O-N 3.28Å; G200-L204 VanDerWaalsContact O-N 3.13Å |
| 201 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -29.5 | 175.5 | -23.3 | 34.5 | 0 | 0 | 0 | 113.9 | K15 L19 A91 A95 F126 R197 D198 L204 T205 | K15-P201 HydrophobicContact CD-CG 4.45Å; L19-P201 HydrophobicContact CD1-CB 4.35Å; L19-P201 HydrophobicContact CD1-CG 4.13Å; A91-P201 HydrophobicContact CB-CG 4.46Å; A95-P201 HydrophobicContact CB-CB 3.72Å; A95-P201 HydrophobicContact CB-CG 3.96Å; F126-P201 HydrophobicContact CB-CB 3.85Å; F126-P201 WeakPolarHBondContact O-CB 3.24Å; R197-P201 WeakPolarHBondContact O-CD 3.49Å; R197-P201 WeakPolarHBondContact O-CG 3.14Å; D198-P201 WeakPolarHBondContact O-CD 3.44Å; P201-L204 WeakPolarHBondContact O-CB 3.33Å; P201-L204 PolarHBondContact O-N 2.91Å; P201-T205 PolarHBondContact O-N 3.36Å; P201-T205 PolarHBondContact O-OG1 3.43Å |
| 202 | R | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 174 | -169.8 | -177.2 | -63.3 | -75.6 | -4.6 | 112.5 | A127 T128 Y129 D198 L199 G200 L204 T205 L206 V214 F215 | A127-R202 HydrophobicContact CB-CB 3.85Å; A127-R202 HydrophobicContact CB-CG 4.33Å; T128-R202 PolarHBondContact O-NH2 3.32Å; Y129-R202 VanDerWaalsContact CZ-NH1 3.33Å; Y129-R202 PolarHBondContact OH-NH1 3.04Å; D198-R202 VanDerWaalsContact CG-NH2 3.27Å; D198-R202 VanDerWaalsContact O-CB 3.28Å; D198-R202 WeakPolarHBondContact O-CB 3.36Å; D198-R202 PolarHBondContact O-N 2.97Å; D198-R202 IonicContact OD1-CZ 3.71Å; D198-R202 VanDerWaalsContact OD1-CZ 3.23Å; D198-R202 IonicContact OD1-NE 3.62Å; D198-R202 PolarHBondContact OD1-NE 3.46Å; D198-R202 IonicContact OD1-NH2 2.73Å; D198-R202 PolarHBondContact OD1-NH2 3.47Å; D198-R202 IonicContact OD2-NH2 3.08Å; D198-R202 PolarHBondContact OD2-NH2 3.47Å; D198-R202 VanDerWaalsContact OD2-NH2 3.08Å; L199-R202 PolarHBondContact O-N 2.95Å; G200-R202 VanDerWaalsContact C-N 3.3Å; G200-R202 PolarHBondContact O-N 3.25Å; R202-L204 VanDerWaalsContact C-N 3.3Å; R202-T205 WeakPolarHBondContact CA-OG1 3.44Å; R202-T205 PolarHBondContact O-N 3Å; R202-T205 PolarHBondContact O-OG1 2.6Å; R202-L206 PolarHBondContact O-N 3.48Å; R202-L206 VanDerWaalsContact O-N 3.11Å; R202-V214 WeakPolarHBondContact CD-O 3.1Å; R202-V214 HydrophobicContact CG-CB 4.17Å; R202-V214 HydrophobicContact CG-CG2 4.17Å; R202-V214 PolarHBondContact NH1-O 3.16Å; R202-F215 HydrophobicContact CB-CZ 4.46Å; R202-F215 VanDerWaalsContact CD-CE1 3.48Å; R202-F215 HydrophobicContact CG-CE1 3.99Å; R202-F215 HydrophobicContact CG-CE2 4.2Å; R202-F215 HydrophobicContact CG-CZ 3.79Å |
| 203 | L | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 28.4 Ų | 28.4 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 171.9 | -72.4 | 167.5 | 0 | 0 | 0 | 111.1 | I88 Y92 L199 G200 L206 T207 F215 | I88-L203 HydrophobicContact CG2-CD1 4.18Å; Y92-L203 HydrophobicContact CD2-CB 3.93Å; Y92-L203 HydrophobicContact CE2-CB 4.24Å; L199-L203 HydrophobicContact CD1-CD1 4.15Å; L199-L203 HydrophobicContact CD1-CG 4.05Å; L199-L203 HydrophobicContact CG-CD1 4.04Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.38Å; L199-L203 PolarHBondContact O-N 3.02Å; G200-L203 WeakPolarHBondContact O-CB 3.42Å; G200-L203 PolarHBondContact O-N 3.48Å; L203-L206 WeakPolarHBondContact O-CB 3.33Å; L203-L206 PolarHBondContact O-N 2.89Å; L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 3.22Å; L203-T207 VanDerWaalsContact O-N 3.11Å; L203-T207 PolarHBondContact O-OG1 3.25Å; L203-F215 HydrophobicContact CD2-CE2 4.42Å; L203-F215 HydrophobicContact CD2-CZ 3.89Å; L203-F215 HydrophobicContact CG-CZ 4.37Å |
| 204 | L | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -53.6 | 172.4 | 174.2 | 73.5 | 0 | 0 | 0 | 110.8 | Y92 A95 A96 F126 G200 P201 R202 L206 T207 A208 | Y92-L204 HydrophobicContact CD2-CB 3.98Å; Y92-L204 HydrophobicContact CE1-CD1 4.29Å; Y92-L204 VanDerWaalsContact CE2-CA 3.43Å; Y92-L204 HydrophobicContact CE2-CB 3.92Å; Y92-L204 HydrophobicContact CE2-CD1 4.32Å; A95-L204 HydrophobicContact CB-CB 4.36Å; A95-L204 HydrophobicContact CB-CD2 3.43Å; A95-L204 VanDerWaalsContact CB-CD2 3.43Å; A95-L204 WeakPolarHBondContact O-CD2 3.37Å; A96-L204 HydrophobicContact CB-CD1 3.84Å; A96-L204 HydrophobicContact CB-CD2 4.36Å; A96-L204 VanDerWaalsContact N-CD2 3.32Å; F126-L204 HydrophobicContact CD1-CD2 4.16Å; F126-L204 HydrophobicContact CE1-CD2 4.19Å; G200-L204 PolarHBondContact O-N 3.28Å; G200-L204 VanDerWaalsContact O-N 3.13Å; P201-L204 WeakPolarHBondContact O-CB 3.33Å; P201-L204 PolarHBondContact O-N 2.91Å; R202-L204 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 2.75Å; L204-T207 CarbonylContact O-C 3.33Å; L204-T207 PolarHBondContact O-N 2.89Å; L204-T207 PolarHBondContact O-OG1 3.36Å; L204-A208 HydrophobicContact CD1-CB 4.35Å; L204-A208 HydrophobicContact CG-CB 4.4Å; L204-A208 VanDerWaalsContact O-CB 3.24Å; L204-A208 WeakPolarHBondContact O-CB 3.31Å; L204-A208 PolarHBondContact O-N 3.04Å |
| 205 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -35.2 | -176.7 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | F126 P201 R202 G209 W210 V214 | F126-T205 HydrophobicContact CB-CG2 3.61Å; F126-T205 HydrophobicContact CD2-CG2 3.59Å; F126-T205 HydrophobicContact CG-CG2 3.75Å; P201-T205 PolarHBondContact O-N 3.36Å; P201-T205 PolarHBondContact O-OG1 3.43Å; R202-T205 WeakPolarHBondContact CA-OG1 3.44Å; R202-T205 PolarHBondContact O-N 3Å; R202-T205 PolarHBondContact O-OG1 2.6Å; T205-G209 PolarHBondContact O-N 3.39Å; T205-W210 HydrophobicContact CG2-CD2 4.01Å; T205-W210 HydrophobicContact CG2-CE3 4Å; T205-W210 HydrophobicContact CG2-CG 4.44Å; T205-W210 HydrophobicContact CG2-CZ3 4.38Å; T205-W210 WeakPolarHBondContact O-CB 3.47Å; T205-W210 PolarHBondContact O-N 2.96Å; T205-V214 WeakPolarHBondContact OG1-CG1 3.34Å |
| 206 | L | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -56.8 | -53.3 | 169.7 | 176.7 | 66.4 | 0 | 0 | 0 | 111.7 | R202 L203 L204 A208 T212 V214 F215 | R202-L206 PolarHBondContact O-N 3.48Å; R202-L206 VanDerWaalsContact O-N 3.11Å; L203-L206 WeakPolarHBondContact O-CB 3.33Å; L203-L206 PolarHBondContact O-N 2.89Å; L204-L206 PolarHBondContact O-N 2.75Å; L206-A208 PolarHBondContact O-N 3.14Å; L206-T212 HydrophobicContact CD1-CG2 4.2Å; L206-V214 HydrophobicContact CB-CG2 3.88Å; L206-V214 HydrophobicContact CD1-CG2 4.4Å; L206-F215 HydrophobicContact CB-CE2 3.95Å; L206-F215 HydrophobicContact CD1-CD2 4.47Å; L206-F215 HydrophobicContact CD2-CD2 4.21Å; L206-F215 HydrophobicContact CD2-CE2 3.7Å; L206-F215 HydrophobicContact CG-CE2 4.28Å |
| 207 | T | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 33 Ų | 33 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | I | π-helix | trans | -73.5 | -23.6 | -176.7 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | Y92 L203 L204 | Y92-T207 PolarHBondContact OH-OG1 3.22Å; L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 3.22Å; L203-T207 VanDerWaalsContact O-N 3.11Å; L203-T207 PolarHBondContact O-OG1 3.25Å; L204-T207 CarbonylContact O-C 3.33Å; L204-T207 PolarHBondContact O-N 2.89Å; L204-T207 PolarHBondContact O-OG1 3.36Å |
| 208 | A | 98 | Very high | 98.1 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -91.7 | -5.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y99 L204 L206 W210 | Y99-A208 HydrophobicContact CE1-CB 4.34Å; L204-A208 HydrophobicContact CD1-CB 4.35Å; L204-A208 HydrophobicContact CG-CB 4.4Å; L204-A208 VanDerWaalsContact O-CB 3.24Å; L204-A208 WeakPolarHBondContact O-CB 3.31Å; L204-A208 PolarHBondContact O-N 3.04Å; L206-A208 PolarHBondContact O-N 3.14Å; A208-W210 HydrophobicContact CB-CE3 4.06Å; A208-W210 HydrophobicContact CB-CZ3 3.77Å |
| 209 | G | 97.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | 117.6 | 7.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T205 G211 | T205-G209 PolarHBondContact O-N 3.39Å; G209-G211 PolarHBondContact O-N 3.12Å |
| 210 | W | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -72.6 | -10.9 | 170.8 | -79.3 | -99.9 | 0 | 0 | 0 | 113.2 | Y99 I106 L114 T115 V116 T122 F126 T205 A208 V214 | Y99-W210 AromaticContact CD2-CH2 3.64Å; Y99-W210 HydrophobicContact CD2-CH2 3.64Å; Y99-W210 HydrophobicContact CD2-CZ3 4.03Å; Y99-W210 AromaticContact CE2-CH2 3.44Å; Y99-W210 HydrophobicContact CE2-CH2 3.44Å; Y99-W210 VanDerWaalsContact CE2-CH2 3.44Å; Y99-W210 AromaticContact CE2-CZ3 3.72Å; Y99-W210 HydrophobicContact CE2-CZ3 3.72Å; I106-W210 HydrophobicContact CG2-CH2 4.47Å; I106-W210 HydrophobicContact CG2-CZ2 4.29Å; L114-W210 HydrophobicContact CB-CD2 3.76Å; L114-W210 HydrophobicContact CB-CE3 4.26Å; L114-W210 HydrophobicContact CB-CG 3.93Å; L114-W210 HydrophobicContact CB-CZ2 4.29Å; L114-W210 HydrophobicContact CD1-CD2 4.07Å; L114-W210 HydrophobicContact CD1-CE3 3.71Å; L114-W210 HydrophobicContact CD1-CH2 3.91Å; L114-W210 HydrophobicContact CD1-CZ2 4.23Å; L114-W210 HydrophobicContact CD1-CZ3 3.63Å; L114-W210 HydrophobicContact CD2-CH2 3.97Å; L114-W210 HydrophobicContact CD2-CZ2 3.7Å; L114-W210 HydrophobicContact CG-CD2 4.37Å; L114-W210 HydrophobicContact CG-CE3 4.49Å; L114-W210 HydrophobicContact CG-CH2 4.42Å; L114-W210 HydrophobicContact CG-CZ2 4.29Å; T115-W210 VanDerWaalsContact O-CD1 3.27Å; T115-W210 PolarHBondContact O-NE1 2.93Å; V116-W210 HydrophobicContact CG2-CB 4.35Å; T122-W210 WeakPolarHBondContact OG1-CZ2 3.45Å; T122-W210 PolarHBondContact OG1-NE1 2.76Å; F126-W210 HydrophobicContact CD2-CH2 4.36Å; F126-W210 HydrophobicContact CD2-CZ2 4.28Å; F126-W210 AromaticContact CE2-CH2 3.7Å; F126-W210 HydrophobicContact CE2-CH2 3.7Å; F126-W210 AromaticContact CE2-CZ2 3.83Å; F126-W210 HydrophobicContact CE2-CZ2 3.83Å; F126-W210 HydrophobicContact CZ-CH2 4.4Å; T205-W210 HydrophobicContact CG2-CD2 4.01Å; T205-W210 HydrophobicContact CG2-CE3 4Å; T205-W210 HydrophobicContact CG2-CG 4.44Å; T205-W210 HydrophobicContact CG2-CZ3 4.38Å; T205-W210 WeakPolarHBondContact O-CB 3.47Å; T205-W210 PolarHBondContact O-N 2.96Å; A208-W210 HydrophobicContact CB-CE3 4.06Å; A208-W210 HydrophobicContact CB-CZ3 3.77Å; W210-V214 HydrophobicContact CB-CG1 3.62Å |
| 211 | G | 98.1 | Very high | 97.9 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | trans | 80.6 | -177.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | G209 E213 V214 | G209-G211 PolarHBondContact O-N 3.12Å; G211-E213 PolarHBondContact O-N 2.94Å; G211-V214 WeakPolarHBondContact O-CG2 3.33Å | ||
| 212 | T | 98 | Very high | 97.8 | Very high | 100 Ų | 100 | 48.3 Ų | 48.3 | 61% | 0.613 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.2 | -176.4 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | L206 V214 F215 T216 | L206-T212 HydrophobicContact CD1-CG2 4.2Å; T212-V214 PolarHBondContact O-N 3.42Å; T212-V214 VanDerWaalsContact O-N 3.12Å; T212-F215 PolarHBondContact O-N 2.89Å; T212-T216 PolarHBondContact O-N 3.27Å |
| 213 | E | 97.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.4 | -28.2 | 177.8 | -67.4 | -172.2 | 168.6 | 0 | 0 | 112.7 | V116 Y117 G211 F215 T216 S217 | V116-E213 HydrophobicContact CB-CB 4.18Å; V116-E213 HydrophobicContact CG2-CB 3.75Å; Y117-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y117-E213 WeakPolarHBondContact CE1-OE2 3.49Å; G211-E213 PolarHBondContact O-N 2.94Å; E213-F215 PolarHBondContact O-N 2.94Å; E213-T216 WeakPolarHBondContact CA-OG1 3.4Å; E213-T216 PolarHBondContact O-N 3.35Å; E213-S217 VanDerWaalsContact O-CB 3.32Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 2.9Å; E213-S217 PolarHBondContact O-OG 2.99Å |
| 214 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -18.6 | 175.2 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | V116 R202 T205 L206 W210 G211 T212 | V116-V214 HydrophobicContact CG2-CB 4.43Å; V116-V214 HydrophobicContact CG2-CG1 3.57Å; R202-V214 WeakPolarHBondContact CD-O 3.1Å; R202-V214 HydrophobicContact CG-CB 4.17Å; R202-V214 HydrophobicContact CG-CG2 4.17Å; R202-V214 PolarHBondContact NH1-O 3.16Å; T205-V214 WeakPolarHBondContact OG1-CG1 3.34Å; L206-V214 HydrophobicContact CB-CG2 3.88Å; L206-V214 HydrophobicContact CD1-CG2 4.4Å; W210-V214 HydrophobicContact CB-CG1 3.62Å; G211-V214 WeakPolarHBondContact O-CG2 3.33Å; T212-V214 PolarHBondContact O-N 3.42Å; T212-V214 VanDerWaalsContact O-N 3.12Å |
| 215 | F | 98.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -110.1 | -15.9 | 175.4 | -71.5 | -77.4 | 0 | 0 | 0 | 114.3 | L199 R202 L203 L206 T212 E213 Y220 F222 | L199-F215 HydrophobicContact CD1-CE1 4.15Å; L199-F215 HydrophobicContact CD1-CZ 4.39Å; R202-F215 HydrophobicContact CB-CZ 4.46Å; R202-F215 VanDerWaalsContact CD-CE1 3.48Å; R202-F215 HydrophobicContact CG-CE1 3.99Å; R202-F215 HydrophobicContact CG-CE2 4.2Å; R202-F215 HydrophobicContact CG-CZ 3.79Å; L203-F215 HydrophobicContact CD2-CE2 4.42Å; L203-F215 HydrophobicContact CD2-CZ 3.89Å; L203-F215 HydrophobicContact CG-CZ 4.37Å; L206-F215 HydrophobicContact CB-CE2 3.95Å; L206-F215 HydrophobicContact CD1-CD2 4.47Å; L206-F215 HydrophobicContact CD2-CD2 4.21Å; L206-F215 HydrophobicContact CD2-CE2 3.7Å; L206-F215 HydrophobicContact CG-CE2 4.28Å; T212-F215 PolarHBondContact O-N 2.89Å; E213-F215 PolarHBondContact O-N 2.94Å; F215-Y220 WeakPolarHBondContact O-CD1 3.27Å; F215-F222 HydrophobicContact CB-CD1 4.33Å; F215-F222 HydrophobicContact CB-CG 4.5Å; F215-F222 HydrophobicContact CD1-CB 3.63Å; F215-F222 HydrophobicContact CD1-CD1 4.09Å; F215-F222 AromaticContact CD1-CD2 3.57Å; F215-F222 HydrophobicContact CD1-CD2 3.57Å; F215-F222 HydrophobicContact CD1-CE2 4.22Å; F215-F222 AromaticContact CD1-CG 3.48Å; F215-F222 HydrophobicContact CD1-CG 3.48Å; F215-F222 VanDerWaalsContact CD1-CG 3.48Å; F215-F222 HydrophobicContact CE1-CB 4.15Å; F215-F222 AromaticContact CE1-CD2 3.93Å; F215-F222 HydrophobicContact CE1-CD2 3.93Å; F215-F222 HydrophobicContact CE1-CG 4.18Å; F215-F222 HydrophobicContact CG-CG 4.46Å; F215-F222 WeakPolarHBondContact O-CD1 3.37Å |
| 216 | T | 97.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -107 | -22.8 | -176.2 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | T212 E213 Y220 | T212-T216 PolarHBondContact O-N 3.27Å; E213-T216 WeakPolarHBondContact CA-OG1 3.4Å; E213-T216 PolarHBondContact O-N 3.35Å; T216-Y220 HydrophobicContact CG2-CD1 4.38Å; T216-Y220 HydrophobicContact CG2-CE1 3.85Å; T216-Y220 PolarHBondContact O-N 3.08Å |
| 217 | S | 95.2 | Very high | 97.8 | Very high | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | 153.4 | 179.9 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | E213 N219 Y220 W221 | E213-S217 VanDerWaalsContact O-CB 3.32Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 2.9Å; E213-S217 PolarHBondContact O-OG 2.99Å; S217-N219 PolarHBondContact O-N 3.49Å; S217-Y220 PolarHBondContact O-N 2.78Å; S217-W221 PolarHBondContact O-N 3.08Å; S217-W221 VanDerWaalsContact O-N 3.16Å |
| 218 | F | 95.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | 55.1 | 47.9 | 178 | -56.7 | -89.6 | 0 | 0 | 0 | 113.7 | Y129 P130 W221 | Y129-F218 AromaticContact CD1-CD2 3.72Å; Y129-F218 HydrophobicContact CD1-CD2 3.72Å; Y129-F218 AromaticContact CD1-CE2 3.8Å; Y129-F218 HydrophobicContact CD1-CE2 3.8Å; Y129-F218 HydrophobicContact CG-CD2 4.38Å; Y129-F218 HydrophobicContact CG-CE2 4.13Å; P130-F218 HydrophobicContact CG-CB 3.6Å; P130-F218 HydrophobicContact CG-CD1 3.71Å; P130-F218 HydrophobicContact CG-CG 3.73Å; P130-F218 WeakPolarHBondContact O-CE1 3.45Å; F218-W221 HydrophobicContact CB-CB 3.89Å; F218-W221 PolarHBondContact O-N 3.48Å |
| 219 | N | 95.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | 56.7 | 49.7 | -178.5 | -57.6 | -49.6 | 0 | 0 | 0 | 112.5 | S217 | S217-N219 PolarHBondContact O-N 3.49Å |
| 220 | Y | 97.4 | Very high | 97.9 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 53% | 0.529 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | 59.8 | 45.5 | -178.3 | -59.5 | -89.5 | 0 | 0 | 0 | 113.1 | F215 T216 S217 F222 W223 | F215-Y220 WeakPolarHBondContact O-CD1 3.27Å; T216-Y220 HydrophobicContact CG2-CD1 4.38Å; T216-Y220 HydrophobicContact CG2-CE1 3.85Å; T216-Y220 PolarHBondContact O-N 3.08Å; S217-Y220 PolarHBondContact O-N 2.78Å; Y220-F222 HydrophobicContact CD1-CE1 4.26Å; Y220-F222 WeakPolarHBondContact O-CD1 3.37Å; Y220-F222 PolarHBondContact O-N 3.47Å; Y220-W223 PolarHBondContact O-NE1 3.44Å |
| 221 | W | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -52.8 | -29.6 | -175.3 | 170.8 | -107.6 | 0 | 0 | 0 | 115 | T128 P130 L136 Q143 C189 S217 F218 W223 V224 P225 | T128-W221 PolarHBondContact O-NE1 3.01Å; T128-W221 VanDerWaalsContact O-NE1 3.08Å; T128-W221 PolarHBondContact OG1-NE1 3.17Å; P130-W221 HydrophobicContact CB-CD2 4.39Å; P130-W221 HydrophobicContact CB-CE3 4.23Å; P130-W221 HydrophobicContact CB-CZ3 4.33Å; P130-W221 HydrophobicContact CG-CB 4.47Å; P130-W221 HydrophobicContact CG-CD2 3.9Å; P130-W221 HydrophobicContact CG-CE3 3.91Å; P130-W221 HydrophobicContact CG-CG 4.14Å; P130-W221 HydrophobicContact CG-CZ3 4.49Å; L136-W221 HydrophobicContact CD1-CE3 3.9Å; L136-W221 HydrophobicContact CD1-CZ3 4.43Å; Q143-W221 HydrophobicContact CG-CH2 4.29Å; Q143-W221 HydrophobicContact CG-CZ2 4.49Å; C189-W221 HydrophobicContact CB-CH2 3.64Å; C189-W221 HydrophobicContact CB-CZ2 3.57Å; C189-W221 VanDerWaalsContact SG-CH2 3.54Å; S217-W221 PolarHBondContact O-N 3.08Å; S217-W221 VanDerWaalsContact O-N 3.16Å; F218-W221 HydrophobicContact CB-CB 3.89Å; F218-W221 PolarHBondContact O-N 3.48Å; W221-W223 PolarHBondContact O-N 3.31Å; W221-V224 HydrophobicContact CD2-CB 4.21Å; W221-V224 HydrophobicContact CE3-CB 3.8Å; W221-V224 HydrophobicContact CE3-CG1 4.15Å; W221-V224 HydrophobicContact CE3-CG2 3.92Å; W221-V224 HydrophobicContact CH2-CB 4Å; W221-V224 HydrophobicContact CH2-CG1 3.52Å; W221-V224 HydrophobicContact CZ2-CB 4.41Å; W221-V224 HydrophobicContact CZ2-CG1 4.22Å; W221-V224 HydrophobicContact CZ3-CB 3.68Å; W221-V224 HydrophobicContact CZ3-CG1 3.49Å; W221-V224 VanDerWaalsContact CZ3-CG1 3.49Å; W221-V224 HydrophobicContact CZ3-CG2 3.98Å; W221-V224 WeakPolarHBondContact O-CB 3.4Å; W221-V224 PolarHBondContact O-N 2.92Å; W221-P225 HydrophobicContact CZ2-CG 3.93Å; W221-P225 WeakPolarHBondContact O-CD 3.33Å |
| 222 | F | 98.1 | Very high | 97.9 | Very high | 60 Ų | 60 | 47 Ų | 47 | 26% | 0.263 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -49.5 | -31.1 | -171.6 | 81 | -84.5 | 0 | 0 | 0 | 115.7 | F215 Y220 I226 | F215-F222 HydrophobicContact CB-CD1 4.33Å; F215-F222 HydrophobicContact CB-CG 4.5Å; F215-F222 HydrophobicContact CD1-CB 3.63Å; F215-F222 HydrophobicContact CD1-CD1 4.09Å; F215-F222 AromaticContact CD1-CD2 3.57Å; F215-F222 HydrophobicContact CD1-CD2 3.57Å; F215-F222 HydrophobicContact CD1-CE2 4.22Å; F215-F222 AromaticContact CD1-CG 3.48Å; F215-F222 HydrophobicContact CD1-CG 3.48Å; F215-F222 VanDerWaalsContact CD1-CG 3.48Å; F215-F222 HydrophobicContact CE1-CB 4.15Å; F215-F222 AromaticContact CE1-CD2 3.93Å; F215-F222 HydrophobicContact CE1-CD2 3.93Å; F215-F222 HydrophobicContact CE1-CG 4.18Å; F215-F222 HydrophobicContact CG-CG 4.46Å; F215-F222 WeakPolarHBondContact O-CD1 3.37Å; Y220-F222 HydrophobicContact CD1-CE1 4.26Å; Y220-F222 WeakPolarHBondContact O-CD1 3.37Å; Y220-F222 PolarHBondContact O-N 3.47Å; F222-I226 HydrophobicContact CD2-CD1 4.33Å; F222-I226 WeakPolarHBondContact O-CD1 3.42Å |
| 223 | W | 98.4 | Very high | 98 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -79.7 | -22.5 | -177.5 | 69.6 | -98.4 | 0 | 0 | 0 | 112 | L136 F140 Y220 W221 I226 V227 | L136-W223 HydrophobicContact CD2-CZ2 3.84Å; L136-W223 HydrophobicContact CG-CZ2 4.33Å; F140-W223 AromaticContact CD2-CH2 3.85Å; F140-W223 HydrophobicContact CD2-CH2 3.85Å; F140-W223 AromaticContact CD2-CZ3 3.73Å; F140-W223 HydrophobicContact CD2-CZ3 3.73Å; F140-W223 HydrophobicContact CE2-CH2 4.05Å; F140-W223 AromaticContact CE2-CZ3 3.55Å; F140-W223 HydrophobicContact CE2-CZ3 3.55Å; Y220-W223 PolarHBondContact O-NE1 3.44Å; W221-W223 PolarHBondContact O-N 3.31Å; W223-I226 WeakPolarHBondContact O-CB 3.3Å; W223-I226 PolarHBondContact O-N 3.45Å; W223-I226 VanDerWaalsContact O-N 3.16Å; W223-V227 HydrophobicContact CE3-CB 4.07Å; W223-V227 HydrophobicContact CE3-CG2 4.05Å; W223-V227 HydrophobicContact CZ3-CB 4.35Å; W223-V227 PolarHBondContact O-N 3.36Å |
| 224 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -51.5 | -178.5 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L136 F140 Q143 W221 I226 V227 A228 P229 | L136-V224 HydrophobicContact CD1-CG2 3.66Å; L136-V224 HydrophobicContact CG-CG2 4.25Å; F140-V224 HydrophobicContact CB-CG1 4.22Å; F140-V224 HydrophobicContact CD2-CG1 4.03Å; F140-V224 HydrophobicContact CD2-CG2 4.35Å; Q143-V224 HydrophobicContact CG-CG1 4.31Å; W221-V224 HydrophobicContact CD2-CB 4.21Å; W221-V224 HydrophobicContact CE3-CB 3.8Å; W221-V224 HydrophobicContact CE3-CG1 4.15Å; W221-V224 HydrophobicContact CE3-CG2 3.92Å; W221-V224 HydrophobicContact CH2-CB 4Å; W221-V224 HydrophobicContact CH2-CG1 3.52Å; W221-V224 HydrophobicContact CZ2-CB 4.41Å; W221-V224 HydrophobicContact CZ2-CG1 4.22Å; W221-V224 HydrophobicContact CZ3-CB 3.68Å; W221-V224 HydrophobicContact CZ3-CG1 3.49Å; W221-V224 VanDerWaalsContact CZ3-CG1 3.49Å; W221-V224 HydrophobicContact CZ3-CG2 3.98Å; W221-V224 WeakPolarHBondContact O-CB 3.4Å; W221-V224 PolarHBondContact O-N 2.92Å; V224-I226 PolarHBondContact O-N 2.67Å; V224-V227 PolarHBondContact O-N 3.45Å; V224-A228 HydrophobicContact CG1-CB 4Å; V224-A228 VanDerWaalsContact O-CB 3.24Å; V224-A228 WeakPolarHBondContact O-CB 3.37Å; V224-A228 PolarHBondContact O-N 3.01Å; V224-P229 VanDerWaalsContact O-CD 3.28Å; V224-P229 WeakPolarHBondContact O-CD 3.43Å |
| 225 | P | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -8.1 | 173.6 | -26 | 36.9 | 0 | 0 | 0 | 115.5 | A192 P195 D198 W221 P229 | A192-P225 HydrophobicContact CB-CB 3.76Å; A192-P225 HydrophobicContact CB-CG 4.24Å; P195-P225 WeakPolarHBondContact CA-O 3.4Å; D198-P225 HydrophobicContact CB-CB 3.53Å; D198-P225 HydrophobicContact CB-CG 4.32Å; W221-P225 HydrophobicContact CZ2-CG 3.93Å; W221-P225 WeakPolarHBondContact O-CD 3.33Å; P225-P229 WeakPolarHBondContact O-CD 3.23Å; P225-P229 VanDerWaalsContact O-CG 3.27Å; P225-P229 WeakPolarHBondContact O-CG 3.33Å |
| 226 | I | 98.6 | Very high | 98 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -94.9 | -53.9 | 175.9 | -58.6 | 170.5 | 0 | 0 | 0 | 109.8 | P195 L199 F222 W223 V224 I230 | P195-I226 HydrophobicContact CB-CG2 4.39Å; P195-I226 WeakPolarHBondContact CG-O 3.38Å; L199-I226 HydrophobicContact CB-CD1 4.4Å; L199-I226 HydrophobicContact CB-CG1 4.47Å; L199-I226 HydrophobicContact CD1-CD1 4.14Å; L199-I226 HydrophobicContact CD2-CD1 4.06Å; L199-I226 HydrophobicContact CG-CD1 4.43Å; F222-I226 HydrophobicContact CD2-CD1 4.33Å; F222-I226 WeakPolarHBondContact O-CD1 3.42Å; W223-I226 WeakPolarHBondContact O-CB 3.3Å; W223-I226 PolarHBondContact O-N 3.45Å; W223-I226 VanDerWaalsContact O-N 3.16Å; V224-I226 PolarHBondContact O-N 2.67Å; I226-I230 WeakPolarHBondContact O-CD1 3.07Å; I226-I230 WeakPolarHBondContact O-CG1 3.46Å |
| 227 | V | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 40 Ų | 40 | 35% | 0.352 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -82.5 | -45.2 | -171.6 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | F140 W223 V224 I230 I231 | F140-V227 HydrophobicContact CE2-CB 4.47Å; F140-V227 HydrophobicContact CE2-CG1 4.21Å; F140-V227 HydrophobicContact CZ-CG1 4.42Å; W223-V227 HydrophobicContact CE3-CB 4.07Å; W223-V227 HydrophobicContact CE3-CG2 4.05Å; W223-V227 HydrophobicContact CZ3-CB 4.35Å; W223-V227 PolarHBondContact O-N 3.36Å; V224-V227 PolarHBondContact O-N 3.45Å; V227-I230 WeakPolarHBondContact O-CB 3.1Å; V227-I230 PolarHBondContact O-N 2.99Å; V227-I230 VanDerWaalsContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 4.16Å; V227-I231 HydrophobicContact CG1-CG1 4.45Å; V227-I231 PolarHBondContact O-N 3.46Å; V227-I231 VanDerWaalsContact O-N 3.09Å |
| 228 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F140 Q143 V144 V224 I230 I231 G232 | F140-A228 HydrophobicContact CD1-CB 4.47Å; F140-A228 HydrophobicContact CD2-CB 3.71Å; F140-A228 HydrophobicContact CE1-CB 4.47Å; F140-A228 HydrophobicContact CE2-CB 3.68Å; F140-A228 HydrophobicContact CG-CB 4.11Å; F140-A228 HydrophobicContact CZ-CB 4.11Å; Q143-A228 HydrophobicContact CB-CB 3.49Å; Q143-A228 VanDerWaalsContact CB-CB 3.49Å; V144-A228 HydrophobicContact CG2-CB 4.02Å; V224-A228 HydrophobicContact CG1-CB 4Å; V224-A228 VanDerWaalsContact O-CB 3.24Å; V224-A228 WeakPolarHBondContact O-CB 3.37Å; V224-A228 PolarHBondContact O-N 3.01Å; A228-I230 VanDerWaalsContact C-N 3.31Å; A228-I230 PolarHBondContact O-N 3.39Å; A228-I231 PolarHBondContact O-N 3.26Å; A228-G232 PolarHBondContact O-N 3.22Å |
| 229 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 173.7 | -30.9 | 41.6 | 0 | 0 | 0 | 114.3 | A64 T147 P195 V224 P225 G232 A233 | A64-P229 HydrophobicContact CB-CB 4.33Å; T147-P229 HydrophobicContact CG2-CB 3.9Å; T147-P229 VanDerWaalsContact CG2-O 3.23Å; T147-P229 WeakPolarHBondContact CG2-O 3.32Å; T147-P229 WeakPolarHBondContact OG1-CA 3.38Å; T147-P229 WeakPolarHBondContact OG1-CB 3.44Å; P195-P229 HydrophobicContact CG-CB 4.22Å; V224-P229 VanDerWaalsContact O-CD 3.28Å; V224-P229 WeakPolarHBondContact O-CD 3.43Å; P225-P229 WeakPolarHBondContact O-CD 3.23Å; P225-P229 VanDerWaalsContact O-CG 3.27Å; P225-P229 WeakPolarHBondContact O-CG 3.33Å; P229-G232 PolarHBondContact O-N 3.29Å; P229-A233 VanDerWaalsContact O-CB 3.23Å; P229-A233 WeakPolarHBondContact O-CB 3.41Å; P229-A233 PolarHBondContact O-N 2.75Å |
| 230 | I | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 37 Ų | 37 | 28% | 0.277 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 174.8 | -71.3 | 170.1 | 0 | 0 | 0 | 109.9 | A64 L67 P195 I226 V227 A228 G232 A233 L234 | A64-I230 HydrophobicContact CB-CG1 4.43Å; L67-I230 HydrophobicContact CD2-CG2 3.63Å; P195-I230 HydrophobicContact CG-CG1 4.28Å; I226-I230 WeakPolarHBondContact O-CD1 3.07Å; I226-I230 WeakPolarHBondContact O-CG1 3.46Å; V227-I230 WeakPolarHBondContact O-CB 3.1Å; V227-I230 PolarHBondContact O-N 2.99Å; V227-I230 VanDerWaalsContact O-N 3.16Å; A228-I230 VanDerWaalsContact C-N 3.31Å; A228-I230 PolarHBondContact O-N 3.39Å; I230-G232 VanDerWaalsContact C-N 3.33Å; I230-G232 PolarHBondContact O-N 3.27Å; I230-A233 PolarHBondContact O-N 3.22Å; I230-L234 HydrophobicContact CG2-CD1 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 2.97Å |
| 231 | I | 98.8 | Very high | 98.2 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 178.2 | -61.7 | -172.5 | 0 | 0 | 0 | 111.3 | F140 V144 V227 A228 L234 T235 | F140-I231 HydrophobicContact CE1-CD1 4.39Å; F140-I231 HydrophobicContact CZ-CD1 3.8Å; V144-I231 HydrophobicContact CG1-CG2 4.49Å; V144-I231 HydrophobicContact CG2-CB 4.27Å; V144-I231 HydrophobicContact CG2-CG2 4.21Å; V227-I231 HydrophobicContact CG1-CD1 4.16Å; V227-I231 HydrophobicContact CG1-CG1 4.45Å; V227-I231 PolarHBondContact O-N 3.46Å; V227-I231 VanDerWaalsContact O-N 3.09Å; A228-I231 PolarHBondContact O-N 3.26Å; I231-L234 PolarHBondContact O-N 3.37Å; I231-T235 WeakPolarHBondContact O-CB 3.23Å; I231-T235 PolarHBondContact O-N 3.01Å; I231-T235 PolarHBondContact O-OG1 3.48Å |
| 232 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V144 G148 A228 P229 I230 L234 T235 G236 | V144-G232 WeakPolarHBondContact O-CA 3.46Å; G148-G232 WeakPolarHBondContact CA-O 3.02Å; A228-G232 PolarHBondContact O-N 3.22Å; P229-G232 PolarHBondContact O-N 3.29Å; I230-G232 VanDerWaalsContact C-N 3.33Å; I230-G232 PolarHBondContact O-N 3.27Å; G232-L234 VanDerWaalsContact C-N 3.35Å; G232-L234 PolarHBondContact O-N 2.93Å; G232-T235 WeakPolarHBondContact O-CB 3.35Å; G232-T235 PolarHBondContact O-N 2.98Å; G232-T235 VanDerWaalsContact O-N 3.16Å; G232-G236 PolarHBondContact O-N 3.46Å |
| 233 | A | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A64 C68 T147 L151 P229 I230 T237 | A64-A233 HydrophobicContact CB-CB 3.71Å; C68-A233 VanDerWaalsContact SG-CB 3.51Å; C68-A233 PolarHBondContact SG-O 2.96Å; C68-A233 VanDerWaalsContact SG-O 3.35Å; T147-A233 HydrophobicContact CG2-CB 4.05Å; L151-A233 HydrophobicContact CD2-CB 3.52Å; L151-A233 HydrophobicContact CG-CB 3.71Å; P229-A233 VanDerWaalsContact O-CB 3.23Å; P229-A233 WeakPolarHBondContact O-CB 3.41Å; P229-A233 PolarHBondContact O-N 2.75Å; I230-A233 PolarHBondContact O-N 3.22Å; A233-T237 VanDerWaalsContact O-CB 3.3Å; A233-T237 WeakPolarHBondContact O-CB 3.34Å; A233-T237 PolarHBondContact O-N 3.02Å; A233-T237 PolarHBondContact O-OG1 3.39Å |
| 234 | L | 98.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 173.9 | -65.9 | 177.3 | 0 | 0 | 0 | 111.7 | L67 I71 I230 I231 G232 T237 S238 | L67-L234 HydrophobicContact CD2-CD2 4.2Å; L67-L234 HydrophobicContact CD2-CG 4.48Å; L67-L234 HydrophobicContact CG-CD2 4.49Å; I71-L234 HydrophobicContact CD1-CD2 3.16Å; I230-L234 HydrophobicContact CG2-CD1 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 2.97Å; I231-L234 PolarHBondContact O-N 3.37Å; G232-L234 VanDerWaalsContact C-N 3.35Å; G232-L234 PolarHBondContact O-N 2.93Å; L234-T237 PolarHBondContact O-N 3.45Å; L234-S238 WeakPolarHBondContact O-CB 3.39Å; L234-S238 PolarHBondContact O-N 2.89Å; L234-S238 PolarHBondContact O-OG 3.44Å |
| 235 | T | 98.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -51.1 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | I231 G232 T237 S238 L239 | I231-T235 WeakPolarHBondContact O-CB 3.23Å; I231-T235 PolarHBondContact O-N 3.01Å; I231-T235 PolarHBondContact O-OG1 3.48Å; G232-T235 WeakPolarHBondContact O-CB 3.35Å; G232-T235 PolarHBondContact O-N 2.98Å; G232-T235 VanDerWaalsContact O-N 3.16Å; T235-T237 VanDerWaalsContact C-N 3.31Å; T235-T237 PolarHBondContact O-N 3.48Å; T235-S238 PolarHBondContact O-N 3.13Å; T235-L239 HydrophobicContact CG2-CD1 4.16Å; T235-L239 HydrophobicContact CG2-CG 4.45Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.3Å; T235-L239 PolarHBondContact O-N 2.95Å |
| 236 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G148 G232 L239 Y240 | G148-G236 WeakPolarHBondContact O-CA 3.49Å; G232-G236 PolarHBondContact O-N 3.46Å; G236-L239 PolarHBondContact O-N 3.36Å; G236-Y240 WeakPolarHBondContact O-CB 3.27Å; G236-Y240 PolarHBondContact O-N 3.2Å |
| 237 | T | 97.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | C68 L72 L155 A233 L234 T235 L239 Y240 L241 | C68-T237 PolarHBondContact SG-OG1 2.84Å; L72-T237 HydrophobicContact CD1-CG2 4.09Å; L72-T237 HydrophobicContact CD2-CG2 3.97Å; L72-T237 HydrophobicContact CG-CG2 4.17Å; L155-T237 HydrophobicContact CD1-CG2 3.91Å; A233-T237 VanDerWaalsContact O-CB 3.3Å; A233-T237 WeakPolarHBondContact O-CB 3.34Å; A233-T237 PolarHBondContact O-N 3.02Å; A233-T237 PolarHBondContact O-OG1 3.39Å; L234-T237 PolarHBondContact O-N 3.45Å; T235-T237 VanDerWaalsContact C-N 3.31Å; T235-T237 PolarHBondContact O-N 3.48Å; T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 PolarHBondContact O-N 2.89Å; T237-Y240 WeakPolarHBondContact O-CB 3.22Å; T237-Y240 PolarHBondContact O-N 2.6Å; T237-Y240 VanDerWaalsContact O-N 3.12Å; T237-L241 HydrophobicContact CG2-CD1 4.3Å; T237-L241 HydrophobicContact CG2-CG 4.4Å; T237-L241 WeakPolarHBondContact O-CG 3.36Å; T237-L241 PolarHBondContact O-N 3.39Å |
| 238 | S | 97.8 | Very high | 97 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 177.8 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | L234 T235 Y240 L241 I242 | L234-S238 WeakPolarHBondContact O-CB 3.39Å; L234-S238 PolarHBondContact O-N 2.89Å; L234-S238 PolarHBondContact O-OG 3.44Å; T235-S238 PolarHBondContact O-N 3.13Å; S238-Y240 VanDerWaalsContact C-N 3.35Å; S238-L241 PolarHBondContact O-N 2.94Å; S238-I242 WeakPolarHBondContact O-CB 3.32Å; S238-I242 VanDerWaalsContact O-CG1 3.28Å; S238-I242 WeakPolarHBondContact O-CG1 3.34Å; S238-I242 PolarHBondContact O-N 3.38Å |
| 239 | L | 97.8 | Very high | 96.6 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.3 | -71.3 | 175.4 | 0 | 0 | 0 | 111.4 | L152 T235 G236 T237 F243 | L152-L239 HydrophobicContact CD1-CB 4.27Å; T235-L239 HydrophobicContact CG2-CD1 4.16Å; T235-L239 HydrophobicContact CG2-CG 4.45Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.3Å; T235-L239 PolarHBondContact O-N 2.95Å; G236-L239 PolarHBondContact O-N 3.36Å; T237-L239 VanDerWaalsContact C-N 3.31Å; T237-L239 PolarHBondContact O-N 2.89Å; L239-F243 HydrophobicContact CB-CD2 4.46Å; L239-F243 HydrophobicContact CD2-CD2 3.75Å; L239-F243 HydrophobicContact CD2-CE2 3.57Å; L239-F243 WeakPolarHBondContact O-CB 3.5Å; L239-F243 WeakPolarHBondContact O-CD2 3.22Å; L239-F243 PolarHBondContact O-N 3.46Å |
| 240 | Y | 97 | Very high | 96.1 | Very high | 7 Ų | 7 | 66.6 Ų | 66.6 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 174.8 | 179.4 | -98.6 | 0 | 0 | 0 | 111.5 | L152 L155 E159 G236 T237 S238 I242 I244 E245 | L152-Y240 HydrophobicContact CD1-CD2 4.48Å; L155-Y240 HydrophobicContact CB-CD1 3.8Å; L155-Y240 HydrophobicContact CB-CD2 4.16Å; L155-Y240 HydrophobicContact CB-CE1 3.93Å; L155-Y240 HydrophobicContact CB-CE2 4.31Å; L155-Y240 HydrophobicContact CB-CG 3.92Å; L155-Y240 HydrophobicContact CD1-CD1 3.9Å; L155-Y240 HydrophobicContact CD1-CG 4.01Å; L155-Y240 HydrophobicContact CG-CD1 4.48Å; E159-Y240 WeakPolarHBondContact CB-OH 3.43Å; E159-Y240 WeakPolarHBondContact CG-OH 3.44Å; G236-Y240 WeakPolarHBondContact O-CB 3.27Å; G236-Y240 PolarHBondContact O-N 3.2Å; T237-Y240 WeakPolarHBondContact O-CB 3.22Å; T237-Y240 PolarHBondContact O-N 2.6Å; T237-Y240 VanDerWaalsContact O-N 3.12Å; S238-Y240 VanDerWaalsContact C-N 3.35Å; Y240-I242 PolarHBondContact O-N 3.32Å; Y240-I244 HydrophobicContact CD2-CB 3.95Å; Y240-I244 HydrophobicContact CD2-CG1 4.19Å; Y240-I244 HydrophobicContact CD2-CG2 4.22Å; Y240-I244 HydrophobicContact CE2-CB 4.01Å; Y240-I244 HydrophobicContact CE2-CG2 3.78Å; Y240-I244 CarbonylContact O-C 3.53Å; Y240-I244 WeakPolarHBondContact O-CA 3.23Å; Y240-I244 WeakPolarHBondContact O-CB 3.07Å; Y240-I244 PolarHBondContact O-N 2.63Å; Y240-E245 HydrophobicContact CD1-CB 4.39Å; Y240-E245 HydrophobicContact CE1-CB 4.05Å; Y240-E245 HydrophobicContact CE1-CG 4.43Å; Y240-E245 PolarHBondContact O-N 3.18Å |
| 241 | L | 95.5 | Very high | 95 | Very high | 58 Ų | 58 | 69.6 Ų | 69.6 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | -178.9 | -64.2 | -178.7 | 0 | 0 | 0 | 112.2 | L72 T237 S238 E245 W246 | L72-L241 HydrophobicContact CD2-CD1 4.12Å; L72-L241 HydrophobicContact CD2-CD2 3.93Å; L72-L241 HydrophobicContact CD2-CG 4.47Å; T237-L241 HydrophobicContact CG2-CD1 4.3Å; T237-L241 HydrophobicContact CG2-CG 4.4Å; T237-L241 WeakPolarHBondContact O-CG 3.36Å; T237-L241 PolarHBondContact O-N 3.39Å; S238-L241 PolarHBondContact O-N 2.94Å; L241-E245 HydrophobicContact CD2-CB 4.5Å; L241-E245 WeakPolarHBondContact CD2-OE2 3.22Å; L241-W246 PolarHBondContact O-N 3.24Å |
| 242 | I | 96.6 | Very high | 93.4 | Very high | 90 Ų | 90 | 72 Ų | 72 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.8 | -45.7 | -172.8 | -65.8 | 167.2 | 0 | 0 | 0 | 111.6 | S238 Y240 | S238-I242 WeakPolarHBondContact O-CB 3.32Å; S238-I242 VanDerWaalsContact O-CG1 3.28Å; S238-I242 WeakPolarHBondContact O-CG1 3.34Å; S238-I242 PolarHBondContact O-N 3.38Å; Y240-I242 PolarHBondContact O-N 3.32Å |
| 243 | F | 96.6 | Very high | 91.4 | Very high | 116 Ų | 116 | 81 Ų | 81 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -97.7 | -21.3 | -169.4 | -66.7 | -76.3 | 0 | 0 | 0 | 113.8 | L239 Q247 | L239-F243 HydrophobicContact CB-CD2 4.46Å; L239-F243 HydrophobicContact CD2-CD2 3.75Å; L239-F243 HydrophobicContact CD2-CE2 3.57Å; L239-F243 WeakPolarHBondContact O-CB 3.5Å; L239-F243 WeakPolarHBondContact O-CD2 3.22Å; L239-F243 PolarHBondContact O-N 3.46Å; F243-Q247 PolarHBondContact O-NE2 3.06Å; F243-Q247 VanDerWaalsContact O-NE2 3.11Å |
| 244 | I | 95.6 | Very high | 89.4 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 35% | 0.354 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -61.7 | -179.5 | -51.7 | -60.4 | 0 | 0 | 0 | 109.9 | Y240 W246 Q247 L248 | Y240-I244 HydrophobicContact CD2-CB 3.95Å; Y240-I244 HydrophobicContact CD2-CG1 4.19Å; Y240-I244 HydrophobicContact CD2-CG2 4.22Å; Y240-I244 HydrophobicContact CE2-CB 4.01Å; Y240-I244 HydrophobicContact CE2-CG2 3.78Å; Y240-I244 CarbonylContact O-C 3.53Å; Y240-I244 WeakPolarHBondContact O-CA 3.23Å; Y240-I244 WeakPolarHBondContact O-CB 3.07Å; Y240-I244 PolarHBondContact O-N 2.63Å; I244-W246 PolarHBondContact O-N 2.64Å; I244-Q247 PolarHBondContact O-N 2.81Å; I244-L248 PolarHBondContact O-N 3.15Å |
| 245 | E | 93.5 | Very high | 86.9 | Confident | 52 Ų | 52 | 91.3 Ų | 91.3 | 24% | 0.243 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -62.9 | -42.4 | -170 | -163.4 | -177.3 | 142.2 | 0 | 0 | 113 | R161 Y240 L241 Q247 L248 | R161-E245 IonicContact CZ-OE1 3.13Å; R161-E245 IonicContact NH2-OE1 3.96Å; R161-E245 PolarHBondContact NH2-OE1 3.46Å; Y240-E245 HydrophobicContact CD1-CB 4.39Å; Y240-E245 HydrophobicContact CE1-CB 4.05Å; Y240-E245 HydrophobicContact CE1-CG 4.43Å; Y240-E245 PolarHBondContact O-N 3.18Å; L241-E245 HydrophobicContact CD2-CB 4.5Å; L241-E245 WeakPolarHBondContact CD2-OE2 3.22Å; E245-Q247 PolarHBondContact O-N 3.11Å; E245-L248 HydrophobicContact CG-CD1 4.49Å; E245-L248 WeakPolarHBondContact O-CB 3.12Å; E245-L248 PolarHBondContact O-N 3.36Å; E245-L248 VanDerWaalsContact O-N 3.14Å |
| 246 | W | 93.9 | Very high | 84.5 | Confident | 212 Ų | 212 | 94.7 Ų | 94.7 | 80% | 0.803 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -55.9 | -36.4 | 175.1 | -165.3 | -39.1 | 0 | 0 | 0 | 111.6 | L241 I244 L248 | L241-W246 PolarHBondContact O-N 3.24Å; I244-W246 PolarHBondContact O-N 2.64Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 3.09Å |
| 247 | Q | 94.2 | Very high | 82.4 | Confident | 148 Ų | 148 | 99.5 Ų | 99.5 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -81.3 | -8.4 | -175.4 | -57 | -175.9 | 9 | 0 | 0 | 113.6 | F243 I244 E245 | F243-Q247 PolarHBondContact O-NE2 3.06Å; F243-Q247 VanDerWaalsContact O-NE2 3.11Å; I244-Q247 PolarHBondContact O-N 2.81Å; E245-Q247 PolarHBondContact O-N 3.11Å |
| 248 | L | 94.1 | Very high | 80.3 | Confident | 26 Ų | 26 | 105.8 Ų | 105.8 | 14% | 0.136 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -73.3 | 144.8 | -178.9 | -65.1 | 176.3 | 0 | 0 | 0 | 111 | E159 R161 N162 I244 E245 W246 | E159-L248 HydrophobicContact CG-CD1 3.44Å; E159-L248 VanDerWaalsContact CG-CD1 3.44Å; R161-L248 HydrophobicContact CB-CB 3.89Å; R161-L248 HydrophobicContact CB-CD1 3.99Å; R161-L248 HydrophobicContact CB-CG 4.47Å; N162-L248 HydrophobicContact CB-CD1 3.96Å; N162-L248 HydrophobicContact CB-CD2 3.84Å; I244-L248 PolarHBondContact O-N 3.15Å; E245-L248 HydrophobicContact CG-CD1 4.49Å; E245-L248 WeakPolarHBondContact O-CB 3.12Å; E245-L248 PolarHBondContact O-N 3.36Å; E245-L248 VanDerWaalsContact O-N 3.14Å; W246-L248 VanDerWaalsContact C-N 3.29Å; W246-L248 PolarHBondContact O-N 3.09Å |
| 249 | P | 91.1 | Very high | 78.2 | Confident | 90 Ų | 90 | 109.1 Ų | 109.1 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.5 | 175.1 | 28.5 | -34.4 | 0 | 0 | 0 | 110.5 | R161 | R161-P249 VanDerWaalsContact CD-O 3.26Å; R161-P249 WeakPolarHBondContact CD-O 3.3Å; R161-P249 WeakPolarHBondContact CG-O 3.4Å |
| 250 | D | 86.9 | Confident | 76 | Confident | 145 Ų | 145 | 113.7 Ų | 113.7 | 78% | 0.775 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 148 | 171.4 | -66.7 | -40.9 | 0 | 0 | 0 | 110.4 | ||
| 251 | E | 76.3 | Confident | 74.1 | Confident | 117 Ų | 117 | 116.7 Ų | 116.7 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 132.2 | 174.3 | -77.1 | -165.6 | 155.4 | 0 | 0 | 108.9 | R161 Q253 | R161-E251 HydrophobicContact CG-CG 3.61Å; E251-Q253 PolarHBondContact O-N 3.47Å |
| 252 | P | 64.7 | Low | 72.3 | Confident | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 118.9 | 172.5 | -20.7 | 30.2 | 0 | 0 | 0 | 108 | E254 | P252-E254 PolarHBondContact O-N 2.69Š|
| 253 | Q | 57.3 | Low | 70.7 | Confident | 189 Ų | 189 | 116.6 Ų | 116.6 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | trans | -53.8 | 115.9 | 169.3 | -103.1 | 170.4 | -23.1 | 0 | 0 | 106.8 | E251 S255 | E251-Q253 PolarHBondContact O-N 3.47Å; Q253-S255 PolarHBondContact O-N 3.37Å | ||
| 254 | E | 55.9 | Low | 69.3 | Low | 171 Ų | 171 | 113.5 Ų | 113.5 | 80% | 0.799 | 59% | 0.591 | S | S | * | * | trans | -54.8 | 109.1 | 165.5 | -77.1 | -170.4 | 173.5 | 0 | 0 | 106.1 | P252 H256 | P252-E254 PolarHBondContact O-N 2.69Å; E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 3.44Å | ||
| 255 | S | 46.6 | Very low | 67.9 | Low | 105 Ų | 105 | 113.4 Ų | 113.4 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | trans | -63.6 | 98.1 | 173 | 44.9 | 0 | 0 | 0 | 0 | 106.1 | Q253 P257 | Q253-S255 PolarHBondContact O-N 3.37Å; S255-P257 WeakPolarHBondContact O-CD 3.18Å; S255-P257 WeakPolarHBondContact O-CG 3.49Å | ||
| 256 | H | 47.3 | Very low | 66.7 | Low | 135 Ų | 135 | 115.7 Ų | 115.7 | 63% | 0.625 | 61% | 0.609 | S | S | * | * | trans | -47.9 | 105.8 | 175.5 | -79 | -69.7 | 0 | 0 | 0 | 108.8 | E254 E258 | E254-H256 VanDerWaalsContact C-N 3.29Å; E254-H256 PolarHBondContact O-N 3.44Å; H256-E258 PolarHBondContact O-N 2.81Å; H256-E258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | P | 53.4 | Low | 65.7 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 66% | 0.656 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.6 | -20.3 | -176.5 | -17.6 | 31.5 | 0 | 0 | 0 | 111 | S255 S261 | S255-P257 WeakPolarHBondContact O-CD 3.18Å; S255-P257 WeakPolarHBondContact O-CG 3.49Å; P257-S261 WeakPolarHBondContact O-CB 3.39Å; P257-S261 PolarHBondContact O-N 3.09Å; P257-S261 PolarHBondContact O-OG 3.32Å |
| 258 | E | 54.2 | Low | 64.6 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.4 | -36.1 | -173.4 | -62.2 | -163.5 | 159.9 | 0 | 0 | 113.4 | H256 S261 I262 | H256-E258 PolarHBondContact O-N 2.81Å; H256-E258 VanDerWaalsContact O-N 3.14Å; E258-S261 PolarHBondContact O-OG 3.36Å; E258-I262 VanDerWaalsContact O-CB 3.3Å; E258-I262 WeakPolarHBondContact O-CB 3.28Å; E258-I262 WeakPolarHBondContact O-CD1 3.4Å; E258-I262 WeakPolarHBondContact O-CG1 3.32Å; E258-I262 PolarHBondContact O-N 3.45Å |
| 259 | I | 53.5 | Low | 63.2 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.1 | -38.4 | -178.9 | -59.6 | 179.5 | 0 | 0 | 0 | 110.6 | S263 | I259-S263 WeakPolarHBondContact O-CB 3.42Å; I259-S263 PolarHBondContact O-N 3.47Å; I259-S263 VanDerWaalsContact O-N 3.08Å |
| 260 | F | 52.6 | Low | 62.3 | Low | 172 Ų | 172 | 112.9 Ų | 112.9 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.1 | -36.3 | 178.4 | -130 | -86.1 | 0 | 0 | 0 | 112 | A264 | F260-A264 WeakPolarHBondContact O-CB 3.4Å; F260-A264 PolarHBondContact O-N 2.89Å |
| 261 | S | 55.9 | Low | 61.6 | Low | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.9 | -40.1 | 177.8 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | P257 E258 A264 S265 | P257-S261 WeakPolarHBondContact O-CB 3.39Å; P257-S261 PolarHBondContact O-N 3.09Å; P257-S261 PolarHBondContact O-OG 3.32Å; E258-S261 PolarHBondContact O-OG 3.36Å; S261-A264 PolarHBondContact O-N 3.43Å; S261-S265 WeakPolarHBondContact O-CB 3.33Å; S261-S265 PolarHBondContact O-N 3.35Å |
| 262 | I | 59.1 | Low | 61.1 | Low | 95 Ų | 95 | 105 Ų | 105 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -45.1 | 175.2 | -67.2 | 167.3 | 0 | 0 | 0 | 109.9 | E258 A264 S265 I266 | E258-I262 VanDerWaalsContact O-CB 3.3Å; E258-I262 WeakPolarHBondContact O-CB 3.28Å; E258-I262 WeakPolarHBondContact O-CD1 3.4Å; E258-I262 WeakPolarHBondContact O-CG1 3.32Å; E258-I262 PolarHBondContact O-N 3.45Å; I262-A264 PolarHBondContact O-N 3.17Å; I262-S265 PolarHBondContact O-N 3.15Å; I262-I266 HydrophobicContact CG2-CD1 3.56Å; I262-I266 HydrophobicContact CG2-CG1 4.24Å; I262-I266 WeakPolarHBondContact O-CB 3.46Å; I262-I266 WeakPolarHBondContact O-CG1 3.34Å; I262-I266 PolarHBondContact O-N 2.95Å |
| 263 | S | 63 | Low | 60.9 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 36% | 0.357 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.5 | -42 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | I259 K267 | I259-S263 WeakPolarHBondContact O-CB 3.42Å; I259-S263 PolarHBondContact O-N 3.47Å; I259-S263 VanDerWaalsContact O-N 3.08Å; S263-K267 WeakPolarHBondContact O-CB 3.37Å; S263-K267 VanDerWaalsContact O-CG 3.3Å; S263-K267 WeakPolarHBondContact O-CG 3.46Å; S263-K267 PolarHBondContact O-N 3.05Å |
| 264 | A | 65.8 | Low | 61.7 | Low | 51 Ų | 51 | 107.9 Ų | 107.9 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.2 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F260 S261 I262 K267 Q268 | F260-A264 WeakPolarHBondContact O-CB 3.4Å; F260-A264 PolarHBondContact O-N 2.89Å; S261-A264 PolarHBondContact O-N 3.43Å; I262-A264 PolarHBondContact O-N 3.17Å; A264-K267 PolarHBondContact O-N 3.18Å; A264-Q268 WeakPolarHBondContact O-CB 2.96Å; A264-Q268 PolarHBondContact O-N 3.04Å |
| 265 | S | 66.2 | Low | 62.6 | Low | 67 Ų | 67 | 107.5 Ų | 107.5 | 47% | 0.469 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 177.2 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | S261 I262 Q268 S269 | S261-S265 WeakPolarHBondContact O-CB 3.33Å; S261-S265 PolarHBondContact O-N 3.35Å; I262-S265 PolarHBondContact O-N 3.15Å; S265-Q268 PolarHBondContact O-N 3.05Å; S265-S269 PolarHBondContact O-N 2.54Å; S265-S269 PolarHBondContact O-OG 3.42Å; S265-S269 VanDerWaalsContact O-OG 3.12Å |
| 266 | I | 68.6 | Low | 63.3 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -47.1 | 174.6 | -69.9 | 169.3 | 0 | 0 | 0 | 110.6 | I262 Q268 S269 V270 | I262-I266 HydrophobicContact CG2-CD1 3.56Å; I262-I266 HydrophobicContact CG2-CG1 4.24Å; I262-I266 WeakPolarHBondContact O-CB 3.46Å; I262-I266 WeakPolarHBondContact O-CG1 3.34Å; I262-I266 PolarHBondContact O-N 2.95Å; I266-Q268 VanDerWaalsContact C-N 3.28Å; I266-Q268 PolarHBondContact O-N 3.35Å; I266-S269 PolarHBondContact O-N 3.47Å; I266-V270 HydrophobicContact CG2-CG2 4.3Å; I266-V270 WeakPolarHBondContact O-CB 3.42Å; I266-V270 VanDerWaalsContact O-CG2 3.26Å; I266-V270 WeakPolarHBondContact O-CG2 3.37Å; I266-V270 PolarHBondContact O-N 2.89Å |
| 267 | K | 73.6 | Confident | 64 | Low | 148 Ų | 148 | 105.1 Ų | 105.1 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -38.3 | 177.6 | -78.2 | 179 | -179.5 | -177.7 | 0 | 112.2 | S263 A264 A271 | S263-K267 WeakPolarHBondContact O-CB 3.37Å; S263-K267 VanDerWaalsContact O-CG 3.3Å; S263-K267 WeakPolarHBondContact O-CG 3.46Å; S263-K267 PolarHBondContact O-N 3.05Å; A264-K267 PolarHBondContact O-N 3.18Å; K267-A271 WeakPolarHBondContact O-CB 3.33Å; K267-A271 PolarHBondContact O-N 3.23Å |
| 268 | Q | 71.4 | Confident | 64.2 | Low | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.3 | -44 | 176.5 | -172.6 | 173.6 | 2.8 | 0 | 0 | 111.8 | A264 S265 I266 A271 L272 | A264-Q268 WeakPolarHBondContact O-CB 2.96Å; A264-Q268 PolarHBondContact O-N 3.04Å; S265-Q268 PolarHBondContact O-N 3.05Å; I266-Q268 VanDerWaalsContact C-N 3.28Å; I266-Q268 PolarHBondContact O-N 3.35Å; Q268-A271 PolarHBondContact O-N 3.23Å; Q268-L272 HydrophobicContact CG-CD1 4.32Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 2.59Å |
| 269 | S | 64.8 | Low | 64.2 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 42% | 0.42 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | S265 I266 L272 W273 | S265-S269 PolarHBondContact O-N 2.54Å; S265-S269 PolarHBondContact O-OG 3.42Å; S265-S269 VanDerWaalsContact O-OG 3.12Å; I266-S269 PolarHBondContact O-N 3.47Å; S269-L272 PolarHBondContact O-N 2.89Å; S269-W273 PolarHBondContact O-N 3.45Å; S269-W273 VanDerWaalsContact O-N 3.07Å |
| 270 | V | 71.6 | Confident | 64.3 | Low | 77 Ų | 77 | 110 Ų | 110 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | I266 L272 W273 E274 | I266-V270 HydrophobicContact CG2-CG2 4.3Å; I266-V270 WeakPolarHBondContact O-CB 3.42Å; I266-V270 VanDerWaalsContact O-CG2 3.26Å; I266-V270 WeakPolarHBondContact O-CG2 3.37Å; I266-V270 PolarHBondContact O-N 2.89Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 3.01Å; V270-W273 PolarHBondContact O-N 3.4Å; V270-E274 PolarHBondContact O-N 3.15Å |
| 271 | A | 72.2 | Confident | 63.7 | Low | 43 Ų | 43 | 106.7 Ų | 106.7 | 36% | 0.355 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -30.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K267 Q268 K275 | K267-A271 WeakPolarHBondContact O-CB 3.33Å; K267-A271 PolarHBondContact O-N 3.23Å; Q268-A271 PolarHBondContact O-N 3.23Å; A271-K275 WeakPolarHBondContact O-CG 3.31Å |
| 272 | L | 65.6 | Low | 63 | Low | 53 Ų | 53 | 109.9 Ų | 109.9 | 28% | 0.277 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.9 | -38.5 | 173.5 | -71.9 | 167.8 | 0 | 0 | 0 | 111.4 | Q268 S269 V270 K275 G276 E277 | Q268-L272 HydrophobicContact CG-CD1 4.32Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 2.59Å; S269-L272 PolarHBondContact O-N 2.89Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 3.01Å; L272-K275 PolarHBondContact O-N 3.17Å; L272-G276 PolarHBondContact O-N 3.15Å; L272-E277 PolarHBondContact O-N 2.93Å; L272-E277 VanDerWaalsContact O-N 3.16Å |
| 273 | W | 61 | Low | 61.9 | Low | 211 Ų | 211 | 113.4 Ų | 113.4 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 176.8 | -146.6 | 77.1 | 0 | 0 | 0 | 112.3 | S269 V270 K275 G276 | S269-W273 PolarHBondContact O-N 3.45Å; S269-W273 VanDerWaalsContact O-N 3.07Å; V270-W273 PolarHBondContact O-N 3.4Å; W273-K275 PolarHBondContact O-N 3.1Å; W273-G276 PolarHBondContact O-N 3.36Å; W273-G276 VanDerWaalsContact O-N 3.09Å |
| 274 | E | 72.8 | Confident | 60.7 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.2 | -23.9 | 174.4 | -74.3 | -178.4 | 162.2 | 0 | 0 | 113.4 | V270 | V270-E274 PolarHBondContact O-N 3.15Å |
| 275 | K | 75.4 | Confident | 60.4 | Low | 163 Ų | 163 | 128.1 Ų | 128.1 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -1.2 | 176.5 | -71.1 | -179.9 | -179.7 | -179 | 0 | 113.8 | A271 L272 W273 E277 | A271-K275 WeakPolarHBondContact O-CG 3.31Å; L272-K275 PolarHBondContact O-N 3.17Å; W273-K275 PolarHBondContact O-N 3.1Å; K275-E277 VanDerWaalsContact C-N 3.28Å; K275-E277 PolarHBondContact O-N 3.44Å |
| 276 | G | 61.7 | Low | 60.1 | Low | 70 Ų | 70 | 131.3 Ų | 131.3 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.8 | 18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L272 W273 | L272-G276 PolarHBondContact O-N 3.15Å; W273-G276 PolarHBondContact O-N 3.36Å; W273-G276 VanDerWaalsContact O-N 3.09Å |
| 277 | E | 62.5 | Low | 59.6 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | trans | -100.1 | 114.3 | 177.8 | -66.7 | -176.1 | 167.9 | 0 | 0 | 109.7 | L272 K275 | L272-E277 PolarHBondContact O-N 2.93Å; L272-E277 VanDerWaalsContact O-N 3.16Å; K275-E277 VanDerWaalsContact C-N 3.28Å; K275-E277 PolarHBondContact O-N 3.44Å | ||
| 278 | E | 57.7 | Low | 58.8 | Low | 182 Ų | 182 | 132.2 Ų | 132.2 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.4 | 174.7 | -79.4 | -170.4 | 161.1 | 0 | 0 | 111 | K280 | E278-K280 PolarHBondContact O-N 3.22Š|
| 279 | P | 53.1 | Low | 58 | Low | 87 Ų | 87 | 132.3 Ų | 132.3 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.7 | 175.9 | 26.2 | -29.8 | 0 | 0 | 0 | 109.6 | S281 | P279-S281 PolarHBondContact O-N 2.92Å; P279-S281 VanDerWaalsContact O-N 3.15Å |
| 280 | K | 56.4 | Low | 57.6 | Low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.5 | 176 | -68.8 | -177.6 | 179.3 | 178.5 | 0 | 109.8 | E278 T282 | E278-K280 PolarHBondContact O-N 3.22Å; K280-T282 PolarHBondContact O-N 3.09Å |
| 281 | S | 38.9 | Very low | 56.6 | Low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62 | 116.5 | 174.3 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | P279 | P279-S281 PolarHBondContact O-N 2.92Å; P279-S281 VanDerWaalsContact O-N 3.15Å |
| 282 | T | 41.8 | Very low | 55.4 | Low | 136 Ų | 136 | 148.9 Ų | 148.9 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -93.6 | 113 | 165.9 | 30.4 | 0 | 0 | 0 | 0 | 107.7 | K280 | K280-T282 PolarHBondContact O-N 3.09Š| ||
| 283 | H | 36.3 | Very low | 54.5 | Low | 170 Ų | 170 | 156.9 Ų | 156.9 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | -72.2 | 120.9 | 168.1 | -78.3 | -73 | 0 | 0 | 0 | 109.3 | ||||
| 284 | F | 36.6 | Very low | 53.9 | Low | 282 Ų | 282 | 152 Ų | 152 | 100% | 1.237 | 78% | 0.782 | S | S | * | * | trans | -148.6 | 0 | 142.9 | -85.9 | -73.2 | 0 | 0 | 0 | 108.3 |
Retrieved 284 of 284 residues in 623.5 ms
(Link to these results)