| 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 | Q | 65.3 | Low | 93.9 | Very high | 244 Ų | 244 | 47.4 Ų | 47.4 | 100% | 1.14 | 24% | 0.235 | S | C | * | . | 0 | 134.7 | 0 | -74.2 | 176.9 | -4.9 | 0 | 0 | 107.3 | |||||
| 2 | H | 85.1 | Confident | 94.3 | Very high | 117 Ų | 117 | 43.6 Ų | 43.6 | 54% | 0.542 | 22% | 0.216 | S | C | . | . | trans | -72.1 | 144.2 | 176.3 | -63 | -69.1 | 0 | 0 | 0 | 110 | L121 | H2-L121 HydrophobicContact CB-CD1 3.66Å; H2-L121 WeakPolarHBondContact ND1-CD1 3.13Å | ||
| 3 | P | 94.7 | Very high | 94.5 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | trans | -58 | 141 | 173.8 | -26 | 38.2 | 0 | 0 | 0 | 110.6 | L85 P88 L89 | P3-L85 WeakPolarHBondContact CG-O 3.48Å; P3-P88 HydrophobicContact CB-CB 4.16Å; P3-P88 CarbonylContact O-C 3.57Å; P3-P88 WeakPolarHBondContact O-CA 3.41Å; P3-P88 WeakPolarHBondContact O-CB 3.47Å; P3-L89 PolarHBondContact O-N 2.93Å | ||
| 4 | L | 98.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.7 | 176.8 | -57.2 | -178.2 | 0 | 0 | 0 | 109 | F6 S27 L89 V91 F172 | L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 4.32Å; L4-F6 HydrophobicContact CD1-CE2 4.45Å; L4-F6 HydrophobicContact CD1-CZ 4.14Å; L4-S27 WeakPolarHBondContact O-CB 3.35Å; L4-S27 PolarHBondContact O-OG 2.67Å; L4-L89 HydrophobicContact CD2-CB 3.88Å; L4-L89 HydrophobicContact CD2-CD1 4.07Å; L4-V91 HydrophobicContact CB-CG2 4.37Å; L4-V91 HydrophobicContact CD2-CG2 4.15Å; L4-F172 HydrophobicContact CD1-CD1 4.03Å; L4-F172 HydrophobicContact CD1-CE1 3.54Å; L4-F172 HydrophobicContact CD1-CZ 4.24Å |
| 5 | V | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 112.6 | 170.8 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | A25 F78 F81 L82 L85 P88 L89 V90 V91 | V5-A25 HydrophobicContact CG1-CB 3.9Å; V5-F78 HydrophobicContact CG1-CE2 4.23Å; V5-F81 HydrophobicContact CG1-CD1 4.28Å; V5-F81 HydrophobicContact CG1-CE1 3.98Å; V5-F81 HydrophobicContact CG2-CD1 4.48Å; V5-F81 HydrophobicContact CG2-CE1 4.12Å; V5-L82 HydrophobicContact CB-CD2 4Å; V5-L82 HydrophobicContact CG1-CD2 3.87Å; V5-L82 HydrophobicContact CG2-CD2 3.99Å; V5-L85 HydrophobicContact CG2-CD1 3.32Å; V5-P88 HydrophobicContact CB-CB 4.35Å; V5-P88 HydrophobicContact CB-CG 4.28Å; V5-P88 HydrophobicContact CG2-CB 3.68Å; V5-P88 HydrophobicContact CG2-CG 3.57Å; V5-L89 PolarHBondContact N-O 3.33Å; V5-V90 CarbonylContact O-C 3.56Å; V5-V90 WeakPolarHBondContact O-CA 3.44Å; V5-V91 PolarHBondContact O-N 2.92Å |
| 6 | F | 98.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.2 | 173.5 | -61 | -90.6 | 0 | 0 | 0 | 108.3 | L4 A25 V26 V91 V165 L168 K169 F172 | L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 4.32Å; L4-F6 HydrophobicContact CD1-CE2 4.45Å; L4-F6 HydrophobicContact CD1-CZ 4.14Å; F6-A25 CarbonylContact O-C 3.51Å; F6-A25 WeakPolarHBondContact O-CA 3.13Å; F6-V26 HydrophobicContact CB-CG2 3.89Å; F6-V26 HydrophobicContact CD2-CG2 4.48Å; F6-V26 PolarHBondContact N-O 3.23Å; F6-V26 PolarHBondContact O-N 2.9Å; F6-V91 CarbonylContact C-O 3.55Å; F6-V91 VanDerWaalsContact CA-O 3.22Å; F6-V91 WeakPolarHBondContact CA-O 3.33Å; F6-V91 HydrophobicContact CD1-CB 3.82Å; F6-V91 HydrophobicContact CD1-CG1 3.78Å; F6-V91 HydrophobicContact CE1-CB 3.94Å; F6-V91 HydrophobicContact CE1-CG1 3.62Å; F6-V91 HydrophobicContact CG-CB 4.46Å; F6-V165 HydrophobicContact CB-CB 4.11Å; F6-L168 HydrophobicContact CD1-CB 4.41Å; F6-L168 HydrophobicContact CD1-CD2 4.02Å; F6-L168 HydrophobicContact CD1-CG 3.84Å; F6-L168 HydrophobicContact CE1-CG 4.36Å; F6-K169 HydrophobicContact CD1-CB 4.4Å; F6-K169 HydrophobicContact CD2-CB 3.65Å; F6-K169 HydrophobicContact CD2-CD 4.37Å; F6-K169 HydrophobicContact CD2-CG 3.82Å; F6-K169 HydrophobicContact CE2-CB 3.85Å; F6-K169 HydrophobicContact CE2-CD 4.49Å; F6-K169 HydrophobicContact CE2-CG 3.68Å; F6-K169 HydrophobicContact CG-CB 3.95Å; F6-K169 HydrophobicContact CZ-CB 4.3Å; F6-K169 HydrophobicContact CZ-CG 4.34Å; F6-F172 HydrophobicContact CE1-CB 3.52Å; F6-F172 HydrophobicContact CE1-CD1 4.23Å; F6-F172 HydrophobicContact CE1-CD2 4.07Å; F6-F172 AromaticContact CE1-CG 3.69Å; F6-F172 HydrophobicContact CE1-CG 3.69Å; F6-F172 HydrophobicContact CZ-CB 3.75Å; F6-F172 AromaticContact CZ-CD1 3.89Å; F6-F172 HydrophobicContact CZ-CD1 3.89Å; F6-F172 AromaticContact CZ-CG 3.81Å; F6-F172 HydrophobicContact CZ-CG 3.81Å |
| 7 | F | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.9 | 178.9 | 96 | -71.5 | 0 | 0 | 0 | 111.7 | L9 A24 A25 F78 V90 V91 I95 D99 L103 V165 | F7-L9 HydrophobicContact CD2-CD2 4.43Å; F7-L9 HydrophobicContact CD2-CG 4.5Å; F7-L9 HydrophobicContact CE2-CD1 4.44Å; F7-L9 HydrophobicContact CE2-CD2 4.39Å; F7-L9 HydrophobicContact CE2-CG 4.11Å; F7-A24 WeakPolarHBondContact CA-O 3.08Å; F7-A24 WeakPolarHBondContact CB-O 3.45Å; F7-A25 HydrophobicContact CB-CB 4.16Å; F7-F78 HydrophobicContact CB-CE2 4.19Å; F7-F78 HydrophobicContact CB-CZ 3.97Å; F7-F78 HydrophobicContact CD2-CE1 4.48Å; F7-F78 HydrophobicContact CD2-CZ 4.18Å; F7-F78 HydrophobicContact CG-CZ 4.01Å; F7-V90 HydrophobicContact CD1-CG1 3.11Å; F7-V90 HydrophobicContact CE1-CG1 3.33Å; F7-V90 HydrophobicContact CG-CG1 4.01Å; F7-V90 HydrophobicContact CZ-CG1 4.38Å; F7-V91 PolarHBondContact N-O 2.87Å; F7-I95 HydrophobicContact CE1-CB 4.19Å; F7-I95 HydrophobicContact CE1-CD1 3.72Å; F7-I95 HydrophobicContact CE1-CG2 3.83Å; F7-I95 HydrophobicContact CZ-CB 4.3Å; F7-I95 HydrophobicContact CZ-CG2 4.01Å; F7-D99 HydrophobicContact CE2-CB 3.88Å; F7-D99 HydrophobicContact CZ-CB 3.73Å; F7-L103 HydrophobicContact CE2-CD2 4.34Å; F7-L103 HydrophobicContact CZ-CD2 4.48Å; F7-V165 VanDerWaalsContact CA-CG1 3.46Å |
| 8 | D | 98.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153 | 178.8 | -171.5 | 77.2 | 0 | 0 | 0 | 109.8 | A24 A161 D164 V165 | D8-A24 PolarHBondContact N-O 3.21Å; D8-A24 VanDerWaalsContact N-O 3.15Å; D8-A24 PolarHBondContact O-N 3.18Å; D8-A24 VanDerWaalsContact O-N 3.12Å; D8-A161 HydrophobicContact CB-CB 4.08Å; D8-A161 WeakPolarHBondContact OD2-CA 3.49Å; D8-A161 WeakPolarHBondContact OD2-CB 3.48Å; D8-D164 HydrophobicContact CB-CB 4.47Å; D8-V165 HydrophobicContact CB-CG1 3.42Å; D8-V165 VanDerWaalsContact CB-CG1 3.42Å; D8-V165 VanDerWaalsContact N-CG1 3.31Å |
| 9 | L | 98.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.9 | 177.5 | -55.5 | 178.2 | 0 | 0 | 0 | 111.7 | F7 T11 I20 Q22 L23 D99 L102 | F7-L9 HydrophobicContact CD2-CD2 4.43Å; F7-L9 HydrophobicContact CD2-CG 4.5Å; F7-L9 HydrophobicContact CE2-CD1 4.44Å; F7-L9 HydrophobicContact CE2-CD2 4.39Å; F7-L9 HydrophobicContact CE2-CG 4.11Å; L9-T11 HydrophobicContact CB-CG2 4.3Å; L9-I20 HydrophobicContact CD1-CD1 4.01Å; L9-I20 HydrophobicContact CD1-CG1 4.15Å; L9-I20 HydrophobicContact CD2-CD1 4.37Å; L9-I20 HydrophobicContact CD2-CG2 4.2Å; L9-Q22 WeakPolarHBondContact CA-O 3.23Å; L9-L23 HydrophobicContact CD2-CB 3.77Å; L9-L23 HydrophobicContact CD2-CD1 3.86Å; L9-L23 HydrophobicContact CD2-CG 3.68Å; L9-D99 WeakPolarHBondContact CB-OD1 3.21Å; L9-D99 HydrophobicContact CD1-CB 3.95Å; L9-D99 HydrophobicContact CG-CB 4.16Å; L9-D99 PolarHBondContact N-OD1 3.48Å; L9-L102 HydrophobicContact CD1-CB 4.4Å; L9-L102 HydrophobicContact CD1-CD2 4.2Å; L9-L102 HydrophobicContact CD1-CG 4.41Å |
| 10 | E | 98.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.1 | 158.7 | -60.5 | -61 | 165.7 | 0 | 0 | 110 | I21 Q22 T50 F52 H159 D160 A161 | E10-I21 WeakPolarHBondContact O-CA 3.31Å; E10-I21 PolarHBondContact O-N 2.85Å; E10-Q22 HydrophobicContact CB-CB 3.77Å; E10-Q22 HydrophobicContact CG-CB 4.03Å; E10-Q22 PolarHBondContact N-O 3.23Å; E10-Q22 PolarHBondContact O-N 3.09Å; E10-Q22 VanDerWaalsContact O-N 3.14Å; E10-T50 WeakPolarHBondContact OE2-CG2 3.27Å; E10-F52 HydrophobicContact CB-CD2 4.39Å; E10-F52 HydrophobicContact CB-CE2 3.8Å; E10-F52 HydrophobicContact CG-CE2 3.99Å; E10-H159 WeakPolarHBondContact OE1-CA 3.49Å; E10-D160 PolarHBondContact OE1-N 3.44Å; E10-A161 HydrophobicContact CG-CB 4Å; E10-A161 PolarHBondContact OE1-N 3.48Å |
| 11 | T | 98.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 168.8 | -171.8 | 73 | 0 | 0 | 0 | 0 | 112.5 | L9 G13 E19 I21 F98 L102 | L9-T11 HydrophobicContact CB-CG2 4.3Å; T11-G13 PolarHBondContact O-N 3.11Å; T11-G13 PolarHBondContact OG1-N 3.13Å; T11-G13 PolarHBondContact OG1-O 2.79Å; T11-E19 CarbonylContact C-O 3.49Å; T11-E19 WeakPolarHBondContact CA-O 3.39Å; T11-E19 WeakPolarHBondContact CB-O 3.44Å; T11-I21 VanDerWaalsContact C-CD1 3.47Å; T11-I21 WeakPolarHBondContact O-CD1 3.33Å; T11-F98 HydrophobicContact CG2-CE1 3.84Å; T11-F98 HydrophobicContact CG2-CZ 3.93Å; T11-L102 HydrophobicContact CG2-CD2 3.34Å |
| 12 | T | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -70.6 | -10.5 | 175.1 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | C18 E19 I21 P38 C40 I42 E43 A46 | T12-C18 VanDerWaalsContact OG1-CA 3.27Å; T12-C18 WeakPolarHBondContact OG1-CA 3.35Å; T12-E19 HydrophobicContact CG2-CB 4.15Å; T12-E19 PolarHBondContact N-O 2.86Å; T12-E19 PolarHBondContact OG1-N 3.3Å; T12-I21 HydrophobicContact CG2-CD1 3.8Å; T12-I21 HydrophobicContact CG2-CG1 3.8Å; T12-P38 HydrophobicContact CG2-CB 3.32Å; T12-P38 HydrophobicContact CG2-CG 3.64Å; T12-C40 PolarHBondContact OG1-SG 3.19Å; T12-I42 HydrophobicContact CG2-CG1 4.16Å; T12-E43 WeakPolarHBondContact O-CB 3.42Å; T12-E43 WeakPolarHBondContact O-CG 3.3Å; T12-E43 PolarHBondContact O-N 3.24Å; T12-A46 WeakPolarHBondContact O-CB 3.4Å |
| 13 | G | 97 | Very high | 96.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | 166.1 | -172.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T11 C18 | T11-G13 PolarHBondContact O-N 3.11Å; T11-G13 PolarHBondContact OG1-N 3.13Å; T11-G13 PolarHBondContact OG1-O 2.79Å; G13-C18 WeakPolarHBondContact O-CB 3.47Å; G13-C18 PolarHBondContact O-SG 2.9Å | ||
| 14 | L | 94.1 | Very high | 96.5 | Very high | 143 Ų | 143 | 31.3 Ų | 31.3 | 75% | 0.749 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -103.1 | -5.6 | 179.9 | -60 | 177.6 | 0 | 0 | 0 | 113.4 | F98 | L14-F98 HydrophobicContact CD2-CE1 4.35Å; L14-F98 HydrophobicContact CD2-CE2 3.73Å; L14-F98 HydrophobicContact CD2-CZ 3.59Å |
| 15 | G | 89.4 | Confident | 96.5 | Very high | 35 Ų | 35 | 29 Ų | 29 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -74.6 | 165.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H17 C18 | G15-H17 PolarHBondContact O-N 3.05Å; G15-C18 WeakPolarHBondContact O-CB 3.38Å; G15-C18 PolarHBondContact O-N 3.15Å; G15-C18 PolarHBondContact O-SG 3.23Å |
| 16 | Q | 84.9 | Confident | 96.5 | Very high | 174 Ų | 174 | 29.4 Ų | 29.4 | 81% | 0.813 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.1 | 179.8 | -68.1 | -179.3 | -3.2 | 0 | 0 | 114.1 | R105 | Q16-R105 PolarHBondContact O-NH1 2.95Š|
| 17 | H | 88.9 | Confident | 96.5 | Very high | 153 Ų | 153 | 29.6 Ų | 29.6 | 71% | 0.708 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 11.9 | 179.4 | -53.7 | -58.7 | 0 | 0 | 0 | 113.3 | G15 | G15-H17 PolarHBondContact O-N 3.05Š|
| 18 | C | 95.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | trans | -61.9 | 151.8 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | T12 G13 G15 L102 R105 | T12-C18 VanDerWaalsContact OG1-CA 3.27Å; T12-C18 WeakPolarHBondContact OG1-CA 3.35Å; G13-C18 WeakPolarHBondContact O-CB 3.47Å; G13-C18 PolarHBondContact O-SG 2.9Å; G15-C18 WeakPolarHBondContact O-CB 3.38Å; G15-C18 PolarHBondContact O-N 3.15Å; G15-C18 PolarHBondContact O-SG 3.23Å; C18-L102 WeakPolarHBondContact O-CD1 3.43Å; C18-R105 PolarHBondContact O-NH2 3.37Å | ||
| 19 | E | 97.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | trans | -122.4 | 154.5 | 179.8 | -67.9 | -173.9 | 148.6 | 0 | 0 | 110.2 | T11 T12 P38 R39 C40 | T11-E19 CarbonylContact C-O 3.49Å; T11-E19 WeakPolarHBondContact CA-O 3.39Å; T11-E19 WeakPolarHBondContact CB-O 3.44Å; T12-E19 HydrophobicContact CG2-CB 4.15Å; T12-E19 PolarHBondContact N-O 2.86Å; T12-E19 PolarHBondContact OG1-N 3.3Å; E19-P38 HydrophobicContact CB-CB 4.23Å; E19-R39 IonicContact OE1-CZ 3.56Å; E19-R39 VanDerWaalsContact OE1-CZ 3.31Å; E19-R39 IonicContact OE1-NE 3.65Å; E19-R39 PolarHBondContact OE1-NE 3.27Å; E19-R39 IonicContact OE1-NH2 3.44Å; E19-R39 PolarHBondContact OE1-NH2 2.94Å; E19-R39 WeakPolarHBondContact OE2-CA 3.41Å; E19-R39 WeakPolarHBondContact OE2-CB 3.29Å; E19-R39 PolarHBondContact OE2-N 2.82Å; E19-C40 PolarHBondContact OE2-N 2.81Å | ||
| 20 | I | 98.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.7 | 176.9 | -58.8 | 174.6 | 0 | 0 | 0 | 109.2 | L9 L71 L102 A106 | L9-I20 HydrophobicContact CD1-CD1 4.01Å; L9-I20 HydrophobicContact CD1-CG1 4.15Å; L9-I20 HydrophobicContact CD2-CD1 4.37Å; L9-I20 HydrophobicContact CD2-CG2 4.2Å; I20-L71 HydrophobicContact CB-CD1 4.49Å; I20-L71 HydrophobicContact CD1-CD1 4.33Å; I20-L102 HydrophobicContact CD1-CG 4.19Å; I20-L102 HydrophobicContact CG1-CD1 4.38Å; I20-L102 HydrophobicContact CG1-CD2 3.6Å; I20-L102 HydrophobicContact CG1-CG 3.71Å; I20-A106 HydrophobicContact CD1-CB 4.23Å |
| 21 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -41.4 | 173.4 | -58.5 | -179.7 | 0 | 0 | 0 | 110.7 | E10 T11 T12 Y35 V36 P38 I42 F52 L59 | E10-I21 WeakPolarHBondContact O-CA 3.31Å; E10-I21 PolarHBondContact O-N 2.85Å; T11-I21 VanDerWaalsContact C-CD1 3.47Å; T11-I21 WeakPolarHBondContact O-CD1 3.33Å; T12-I21 HydrophobicContact CG2-CD1 3.8Å; T12-I21 HydrophobicContact CG2-CG1 3.8Å; I21-Y35 CarbonylContact O-C 3.52Å; I21-Y35 VanDerWaalsContact O-CA 3.23Å; I21-Y35 WeakPolarHBondContact O-CA 3.34Å; I21-V36 PolarHBondContact O-N 3.23Å; I21-P38 HydrophobicContact CD1-CG 4.48Å; I21-P38 HydrophobicContact CG1-CB 4.47Å; I21-P38 HydrophobicContact CG1-CG 4.15Å; I21-I42 HydrophobicContact CD1-CD1 3.7Å; I21-I42 HydrophobicContact CD1-CG1 3.8Å; I21-I42 HydrophobicContact CD1-CG2 4.22Å; I21-F52 HydrophobicContact CB-CD2 4.4Å; I21-F52 HydrophobicContact CD1-CB 4.38Å; I21-F52 HydrophobicContact CD1-CD2 4.41Å; I21-F52 HydrophobicContact CG2-CB 4.31Å; I21-F52 HydrophobicContact CG2-CD1 3.9Å; I21-F52 HydrophobicContact CG2-CD2 3.65Å; I21-F52 HydrophobicContact CG2-CE1 4.09Å; I21-F52 HydrophobicContact CG2-CE2 3.88Å; I21-F52 HydrophobicContact CG2-CG 3.7Å; I21-F52 HydrophobicContact CG2-CZ 4.1Å; I21-L59 HydrophobicContact CG2-CD1 3.92Å; I21-L59 HydrophobicContact CG2-CD2 3.6Å; I21-L59 HydrophobicContact CG2-CG 4.39Å |
| 22 | Q | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.1 | 178 | -171.4 | 179.9 | -4.4 | 0 | 0 | 108.8 | L9 E10 N33 L34 Y35 F52 D160 A161 | L9-Q22 WeakPolarHBondContact CA-O 3.23Å; E10-Q22 HydrophobicContact CB-CB 3.77Å; E10-Q22 HydrophobicContact CG-CB 4.03Å; E10-Q22 PolarHBondContact N-O 3.23Å; E10-Q22 PolarHBondContact O-N 3.09Å; E10-Q22 VanDerWaalsContact O-N 3.14Å; Q22-N33 PolarHBondContact NE2-OD1 2.7Å; Q22-L34 CarbonylContact C-O 3.57Å; Q22-L34 WeakPolarHBondContact CA-O 3.29Å; Q22-Y35 HydrophobicContact CB-CD1 3.93Å; Q22-Y35 HydrophobicContact CB-CE1 4.08Å; Q22-Y35 HydrophobicContact CG-CD1 3.74Å; Q22-Y35 HydrophobicContact CG-CE1 3.5Å; Q22-Y35 VanDerWaalsContact CG-CE1 3.5Å; Q22-Y35 PolarHBondContact NE2-OH 3.14Å; Q22-F52 HydrophobicContact CB-CE2 4.32Å; Q22-F52 HydrophobicContact CB-CZ 4.15Å; Q22-D160 PolarHBondContact NE2-OD1 3.35Å; Q22-D160 VanDerWaalsContact NE2-OD1 3.14Å; Q22-A161 HydrophobicContact CB-CB 4.45Å; Q22-A161 HydrophobicContact CG-CB 4Å |
| 23 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.7 | 165 | -177.6 | 158.1 | 0 | 0 | 0 | 107.3 | L9 L32 L34 V74 F78 | L9-L23 HydrophobicContact CD2-CB 3.77Å; L9-L23 HydrophobicContact CD2-CD1 3.86Å; L9-L23 HydrophobicContact CD2-CG 3.68Å; L23-L32 HydrophobicContact CD2-CD2 3.88Å; L23-L34 PolarHBondContact N-O 2.92Å; L23-L34 PolarHBondContact O-N 3.06Å; L23-V74 HydrophobicContact CB-CG1 3.73Å; L23-V74 HydrophobicContact CD1-CG1 4.01Å; L23-V74 HydrophobicContact CG-CG1 4.37Å; L23-F78 HydrophobicContact CD1-CB 4.06Å; L23-F78 HydrophobicContact CD1-CD1 3.96Å; L23-F78 HydrophobicContact CD1-CG 4Å; L23-F78 HydrophobicContact CD2-CB 4.03Å; L23-F78 HydrophobicContact CD2-CD2 3.84Å; L23-F78 HydrophobicContact CD2-CE2 4.44Å; L23-F78 HydrophobicContact CD2-CG 3.91Å |
| 24 | A | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F7 D8 L32 A161 L162 V165 | F7-A24 WeakPolarHBondContact CA-O 3.08Å; F7-A24 WeakPolarHBondContact CB-O 3.45Å; D8-A24 PolarHBondContact N-O 3.21Å; D8-A24 VanDerWaalsContact N-O 3.15Å; D8-A24 PolarHBondContact O-N 3.18Å; D8-A24 VanDerWaalsContact O-N 3.12Å; A24-L32 CarbonylContact C-O 3.57Å; A24-L32 VanDerWaalsContact CA-O 3.27Å; A24-L32 WeakPolarHBondContact CA-O 3.44Å; A24-A161 HydrophobicContact CB-CB 3.65Å; A24-A161 WeakPolarHBondContact CB-O 3.13Å; A24-L162 HydrophobicContact CB-CB 4.04Å; A24-L162 HydrophobicContact CB-CD1 4.43Å; A24-V165 HydrophobicContact CB-CG2 4.24Å |
| 25 | A | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V5 F6 F7 S31 L32 F78 F81 | V5-A25 HydrophobicContact CG1-CB 3.9Å; F6-A25 CarbonylContact O-C 3.51Å; F6-A25 WeakPolarHBondContact O-CA 3.13Å; F7-A25 HydrophobicContact CB-CB 4.16Å; A25-S31 CarbonylContact O-C 3.54Å; A25-S31 VanDerWaalsContact O-CA 3.29Å; A25-S31 WeakPolarHBondContact O-CA 3.47Å; A25-L32 HydrophobicContact CB-CB 4.22Å; A25-L32 PolarHBondContact N-O 2.76Å; A25-L32 PolarHBondContact O-N 2.84Å; A25-F78 HydrophobicContact CB-CD2 4.06Å; A25-F78 HydrophobicContact CB-CE2 3.68Å; A25-F81 HydrophobicContact CB-CD1 4.32Å; A25-F81 HydrophobicContact CB-CE1 4.14Å |
| 26 | V | 98.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.1 | 175.6 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F6 H30 L162 V165 R166 K169 | F6-V26 HydrophobicContact CB-CG2 3.89Å; F6-V26 HydrophobicContact CD2-CG2 4.48Å; F6-V26 PolarHBondContact N-O 3.23Å; F6-V26 PolarHBondContact O-N 2.9Å; V26-H30 WeakPolarHBondContact CA-O 3.35Å; V26-L162 HydrophobicContact CG1-CD1 3.93Å; V26-V165 HydrophobicContact CB-CG2 4.19Å; V26-V165 HydrophobicContact CG1-CG2 3.63Å; V26-V165 HydrophobicContact CG2-CB 3.88Å; V26-V165 HydrophobicContact CG2-CG2 3.66Å; V26-R166 HydrophobicContact CG1-CG 4.31Å; V26-K169 HydrophobicContact CG2-CB 4.32Å; V26-K169 HydrophobicContact CG2-CD 4.21Å |
| 27 | S | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 126.9 | 172.2 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | L4 G29 H30 | L4-S27 WeakPolarHBondContact O-CB 3.35Å; L4-S27 PolarHBondContact O-OG 2.67Å; S27-G29 PolarHBondContact O-N 2.91Å; S27-G29 VanDerWaalsContact O-N 3.16Å; S27-H30 PolarHBondContact N-O 2.83Å; S27-H30 WeakPolarHBondContact O-CA 3.49Å; S27-H30 WeakPolarHBondContact O-CB 3.36Å; S27-H30 PolarHBondContact O-N 3.41Å |
| 28 | G | 92 | Very high | 97.6 | Very high | 53 Ų | 53 | 26.8 Ų | 26.8 | 55% | 0.546 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -124 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | K169 | G28-K169 PolarHBondContact O-NZ 3.47Š|
| 29 | G | 93.6 | Very high | 97.6 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 86% | 0.856 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S27 | S27-G29 PolarHBondContact O-N 2.91Å; S27-G29 VanDerWaalsContact O-N 3.16Å |
| 30 | H | 97.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 35 Ų | 35 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 143.7 | -178.5 | -55.1 | -76.8 | 0 | 0 | 0 | 111.4 | V26 S27 F81 M84 | V26-H30 WeakPolarHBondContact CA-O 3.35Å; S27-H30 PolarHBondContact N-O 2.83Å; S27-H30 WeakPolarHBondContact O-CA 3.49Å; S27-H30 WeakPolarHBondContact O-CB 3.36Å; S27-H30 PolarHBondContact O-N 3.41Å; H30-F81 HydrophobicContact CB-CE2 3.75Å; H30-F81 HydrophobicContact CB-CZ 3.81Å; H30-M84 HydrophobicContact CB-CE 4.35Å |
| 31 | S | 98.1 | Very high | 97.2 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 48% | 0.476 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.2 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | A25 | A25-S31 CarbonylContact O-C 3.54Å; A25-S31 VanDerWaalsContact O-CA 3.29Å; A25-S31 WeakPolarHBondContact O-CA 3.47Å |
| 32 | L | 98.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.131 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.2 | 166.5 | -172 | 71.4 | 0 | 0 | 0 | 107.8 | L23 A24 A25 L34 F78 F81 | L23-L32 HydrophobicContact CD2-CD2 3.88Å; A24-L32 CarbonylContact C-O 3.57Å; A24-L32 VanDerWaalsContact CA-O 3.27Å; A24-L32 WeakPolarHBondContact CA-O 3.44Å; A25-L32 HydrophobicContact CB-CB 4.22Å; A25-L32 PolarHBondContact N-O 2.76Å; A25-L32 PolarHBondContact O-N 2.84Å; L32-L34 HydrophobicContact CD1-CD1 3.85Å; L32-L34 HydrophobicContact CD1-CD2 4.48Å; L32-L34 HydrophobicContact CD1-CG 3.97Å; L32-L34 HydrophobicContact CD2-CD1 4.27Å; L32-L34 HydrophobicContact CG-CD1 4.13Å; L32-L34 HydrophobicContact CG-CG 4.1Å; L32-F78 HydrophobicContact CD2-CB 4Å; L32-F78 HydrophobicContact CD2-CD2 4.1Å; L32-F81 HydrophobicContact CB-CD2 4.05Å; L32-F81 HydrophobicContact CB-CE2 4.24Å; L32-F81 HydrophobicContact CB-CG 4.37Å; L32-F81 HydrophobicContact CD2-CB 4.33Å |
| 33 | N | 98.7 | Very high | 97.2 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 102.7 | 175.7 | -179.2 | 29.8 | 0 | 0 | 0 | 108.9 | Q22 Y35 L162 | Q22-N33 PolarHBondContact NE2-OD1 2.7Å; N33-Y35 PolarHBondContact ND2-OH 2.91Å; N33-Y35 PolarHBondContact OD1-OH 3.23Å; N33-L162 HydrophobicContact CB-CD1 4.42Å; N33-L162 HydrophobicContact CB-CD2 4.04Å |
| 34 | L | 98.7 | Very high | 97.1 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.9 | -172.9 | -60.7 | 178.1 | 0 | 0 | 0 | 110.7 | Q22 L23 L32 V74 | Q22-L34 CarbonylContact C-O 3.57Å; Q22-L34 WeakPolarHBondContact CA-O 3.29Å; L23-L34 PolarHBondContact N-O 2.92Å; L23-L34 PolarHBondContact O-N 3.06Å; L32-L34 HydrophobicContact CD1-CD1 3.85Å; L32-L34 HydrophobicContact CD1-CD2 4.48Å; L32-L34 HydrophobicContact CD1-CG 3.97Å; L32-L34 HydrophobicContact CD2-CD1 4.27Å; L32-L34 HydrophobicContact CG-CD1 4.13Å; L32-L34 HydrophobicContact CG-CG 4.1Å; L34-V74 HydrophobicContact CB-CB 4.47Å; L34-V74 HydrophobicContact CB-CG1 4.15Å; L34-V74 HydrophobicContact CB-CG2 3.79Å; L34-V74 HydrophobicContact CD1-CB 4.36Å; L34-V74 HydrophobicContact CD1-CG1 4.36Å; L34-V74 HydrophobicContact CD1-CG2 4.2Å |
| 35 | Y | 98.7 | Very high | 96.9 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 12% | 0.122 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.2 | -178 | -54.3 | -88.3 | 0 | 0 | 0 | 111.3 | I21 Q22 N33 F52 L59 V66 T68 N69 | I21-Y35 CarbonylContact O-C 3.52Å; I21-Y35 VanDerWaalsContact O-CA 3.23Å; I21-Y35 WeakPolarHBondContact O-CA 3.34Å; Q22-Y35 HydrophobicContact CB-CD1 3.93Å; Q22-Y35 HydrophobicContact CB-CE1 4.08Å; Q22-Y35 HydrophobicContact CG-CD1 3.74Å; Q22-Y35 HydrophobicContact CG-CE1 3.5Å; Q22-Y35 VanDerWaalsContact CG-CE1 3.5Å; Q22-Y35 PolarHBondContact NE2-OH 3.14Å; N33-Y35 PolarHBondContact ND2-OH 2.91Å; N33-Y35 PolarHBondContact OD1-OH 3.23Å; Y35-F52 AromaticContact CD1-CE1 3.83Å; Y35-F52 HydrophobicContact CD1-CE1 3.83Å; Y35-F52 AromaticContact CD1-CZ 3.82Å; Y35-F52 HydrophobicContact CD1-CZ 3.82Å; Y35-F52 AromaticContact CE1-CE1 3.9Å; Y35-F52 HydrophobicContact CE1-CE1 3.9Å; Y35-F52 AromaticContact CE1-CZ 3.69Å; Y35-F52 HydrophobicContact CE1-CZ 3.69Å; Y35-L59 HydrophobicContact CD1-CD2 4.38Å; Y35-V66 HydrophobicContact CD1-CG2 4.45Å; Y35-V66 HydrophobicContact CD2-CB 4.37Å; Y35-V66 HydrophobicContact CG-CB 4.47Å; Y35-V66 HydrophobicContact CG-CG2 4.23Å; Y35-T68 CarbonylContact O-C 3.42Å; Y35-T68 VanDerWaalsContact O-CA 3.31Å; Y35-T68 WeakPolarHBondContact O-CA 3.34Å; Y35-N69 PolarHBondContact O-N 2.57Å |
| 36 | V | 98.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 137.3 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | I21 P38 L71 V74 | I21-V36 PolarHBondContact O-N 3.23Å; V36-P38 VanDerWaalsContact O-CD 3.29Å; V36-P38 WeakPolarHBondContact O-CD 3.44Å; V36-L71 HydrophobicContact CG1-CB 4.49Å; V36-V74 HydrophobicContact CG2-CB 4.08Å; V36-V74 HydrophobicContact CG2-CG1 4.47Å; V36-V74 HydrophobicContact CG2-CG2 3.43Å; V36-V74 VanDerWaalsContact CG2-CG2 3.43Å |
| 37 | V | 98.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | trans | -76.3 | 114.9 | 166.2 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | V54 L59 T68 | V37-V54 HydrophobicContact CG1-CG1 4.16Å; V37-V54 HydrophobicContact CG1-CG2 4.32Å; V37-L59 HydrophobicContact CG2-CB 4.16Å; V37-T68 HydrophobicContact CG2-CG2 3.65Å; V37-T68 WeakPolarHBondContact CG2-OG1 3.32Å | ||
| 38 | P | 96.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 70.6 Ų | 70.6 | 7% | 0.071 | 37% | 0.366 | C | S | . | . | trans | -68.1 | 150.1 | 178.2 | 30.1 | -36 | 0 | 0 | 0 | 110.7 | T12 E19 I21 V36 I42 V54 | T12-P38 HydrophobicContact CG2-CB 3.32Å; T12-P38 HydrophobicContact CG2-CG 3.64Å; E19-P38 HydrophobicContact CB-CB 4.23Å; I21-P38 HydrophobicContact CD1-CG 4.48Å; I21-P38 HydrophobicContact CG1-CB 4.47Å; I21-P38 HydrophobicContact CG1-CG 4.15Å; V36-P38 VanDerWaalsContact O-CD 3.29Å; V36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-I42 HydrophobicContact CG-CD1 4.45Å; P38-I42 HydrophobicContact CG-CG1 4.08Å; P38-V54 HydrophobicContact CG-CG2 3.99Å | ||
| 39 | R | 94.3 | Very high | 96.8 | Very high | 163 Ų | 163 | 71.5 Ų | 71.5 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.2 | -32.2 | 172.5 | -59.5 | 172.5 | -68.5 | -137 | 4.3 | 110.6 | E19 E109 | E19-R39 IonicContact OE1-CZ 3.56Å; E19-R39 VanDerWaalsContact OE1-CZ 3.31Å; E19-R39 IonicContact OE1-NE 3.65Å; E19-R39 PolarHBondContact OE1-NE 3.27Å; E19-R39 IonicContact OE1-NH2 3.44Å; E19-R39 PolarHBondContact OE1-NH2 2.94Å; E19-R39 WeakPolarHBondContact OE2-CA 3.41Å; E19-R39 WeakPolarHBondContact OE2-CB 3.29Å; E19-R39 PolarHBondContact OE2-N 2.82Å; R39-E109 IonicContact CZ-OE1 3.92Å; R39-E109 IonicContact NH1-OE1 2.95Å; R39-E109 PolarHBondContact NH1-OE1 2.92Å; R39-E109 IonicContact NH2-OE1 3.35Å; R39-E109 PolarHBondContact NH2-OE1 3.25Å; R39-E109 IonicContact NH2-OE2 3.31Å; R39-E109 PolarHBondContact NH2-OE2 3.3Å |
| 40 | C | 93.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 67.8 Ų | 67.8 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -91.4 | 164.3 | 177.4 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | T12 E19 | T12-C40 PolarHBondContact OG1-SG 3.19Å; E19-C40 PolarHBondContact OE2-N 2.81Å |
| 41 | R | 94.9 | Very high | 96.9 | Very high | 191 Ų | 191 | 63.5 Ų | 63.5 | 72% | 0.721 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 134 | 178.7 | -179.4 | -177 | 176.8 | 173 | 7.4 | 109.9 | E43 | R41-E43 PolarHBondContact O-N 3Š|
| 42 | I | 97.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 121.7 | 167.1 | -49.3 | 177.7 | 0 | 0 | 0 | 109.1 | T12 I21 P38 A46 A47 F52 V54 L59 | T12-I42 HydrophobicContact CG2-CG1 4.16Å; I21-I42 HydrophobicContact CD1-CD1 3.7Å; I21-I42 HydrophobicContact CD1-CG1 3.8Å; I21-I42 HydrophobicContact CD1-CG2 4.22Å; P38-I42 HydrophobicContact CG-CD1 4.45Å; P38-I42 HydrophobicContact CG-CG1 4.08Å; I42-A46 HydrophobicContact CG2-CB 4Å; I42-A47 HydrophobicContact CG2-CB 3.78Å; I42-F52 HydrophobicContact CD1-CB 3.8Å; I42-V54 HydrophobicContact CD1-CG2 4.01Å; I42-V54 HydrophobicContact CG1-CG2 4.44Å; I42-L59 HydrophobicContact CD1-CD1 4.26Å |
| 43 | E | 97.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -58 | 147.7 | 174.8 | -69.2 | 179.7 | -161.8 | 0 | 0 | 110.9 | T12 R41 A45 A46 A47 | T12-E43 WeakPolarHBondContact O-CB 3.42Å; T12-E43 WeakPolarHBondContact O-CG 3.3Å; T12-E43 PolarHBondContact O-N 3.24Å; R41-E43 PolarHBondContact O-N 3Å; E43-A45 PolarHBondContact O-N 2.69Å; E43-A46 HydrophobicContact CB-CB 4.32Å; E43-A46 PolarHBondContact O-N 3.33Å; E43-A47 WeakPolarHBondContact O-CB 3.22Å; E43-A47 PolarHBondContact O-N 2.79Å |
| 44 | R | 96.9 | Very high | 96.7 | Very high | 202 Ų | 202 | 64.9 Ų | 64.9 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.5 | -34.4 | -178.3 | -69.3 | -178.3 | -179.4 | 161.5 | -0.4 | 112.5 | R48 | R44-R48 WeakPolarHBondContact O-CB 3.37Å; R44-R48 PolarHBondContact O-N 2.68Å |
| 45 | A | 96.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.4 | -49.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | E43 R48 V49 | E43-A45 PolarHBondContact O-N 2.69Å; A45-R48 WeakPolarHBondContact O-CB 3.48Å; A45-R48 PolarHBondContact O-N 3.33Å; A45-V49 PolarHBondContact O-N 3.33Å |
| 46 | A | 96.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.5 | -52.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T12 I42 E43 R48 V49 T50 | T12-A46 WeakPolarHBondContact O-CB 3.4Å; I42-A46 HydrophobicContact CG2-CB 4Å; E43-A46 HydrophobicContact CB-CB 4.32Å; E43-A46 PolarHBondContact O-N 3.33Å; A46-R48 PolarHBondContact O-N 2.9Å; A46-V49 WeakPolarHBondContact O-CG2 3.35Å; A46-V49 PolarHBondContact O-N 3.29Å; A46-V49 VanDerWaalsContact O-N 3.09Å; A46-T50 WeakPolarHBondContact O-CG2 3.48Å; A46-T50 PolarHBondContact O-N 3.39Å; A46-T50 PolarHBondContact O-OG1 2.83Å |
| 47 | A | 96.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.2 | -25.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | I42 E43 G51 F52 | I42-A47 HydrophobicContact CG2-CB 3.78Å; E43-A47 WeakPolarHBondContact O-CB 3.22Å; E43-A47 PolarHBondContact O-N 2.79Å; A47-G51 WeakPolarHBondContact O-CA 3.25Å; A47-G51 PolarHBondContact O-N 3.17Å; A47-F52 WeakPolarHBondContact CB-O 3.49Å |
| 48 | R | 96.6 | Very high | 95.9 | Very high | 198 Ų | 198 | 86.1 Ų | 86.1 | 75% | 0.747 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -78.2 | -37.5 | 178.5 | 178 | 177.5 | 59.8 | -152.6 | -3.8 | 112 | R44 A45 A46 | R44-R48 WeakPolarHBondContact O-CB 3.37Å; R44-R48 PolarHBondContact O-N 2.68Å; A45-R48 WeakPolarHBondContact O-CB 3.48Å; A45-R48 PolarHBondContact O-N 3.33Å; A46-R48 PolarHBondContact O-N 2.9Å |
| 49 | V | 94.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 85.6 Ų | 85.6 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -85.7 | -40.4 | -177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | A45 A46 H159 | A45-V49 PolarHBondContact O-N 3.33Å; A46-V49 WeakPolarHBondContact O-CG2 3.35Å; A46-V49 PolarHBondContact O-N 3.29Å; A46-V49 VanDerWaalsContact O-N 3.09Å; V49-H159 HydrophobicContact CB-CB 4.33Å; V49-H159 HydrophobicContact CG2-CB 4.43Å; V49-H159 WeakPolarHBondContact O-CB 3.32Å |
| 50 | T | 95.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -87 | -20.7 | -178 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | E10 A46 F52 L61 H159 | E10-T50 WeakPolarHBondContact OE2-CG2 3.27Å; A46-T50 WeakPolarHBondContact O-CG2 3.48Å; A46-T50 PolarHBondContact O-N 3.39Å; A46-T50 PolarHBondContact O-OG1 2.83Å; T50-F52 HydrophobicContact CG2-CD2 4.39Å; T50-F52 PolarHBondContact O-N 3.26Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.22Å; T50-F52 PolarHBondContact OG1-N 2.91Å; T50-L61 WeakPolarHBondContact O-CD1 3.46Å; T50-H159 HydrophobicContact CG2-CB 4.26Å |
| 51 | G | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 79.2 Ų | 79.2 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | trans | 75.5 | 1.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A47 D62 | A47-G51 WeakPolarHBondContact O-CA 3.25Å; A47-G51 PolarHBondContact O-N 3.17Å; G51-D62 PolarHBondContact O-N 2.93Å | ||
| 52 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.8 | 179.6 | -73.1 | -62.6 | 0 | 0 | 0 | 113.8 | E10 I21 Q22 Y35 I42 A47 T50 L59 Y60 L61 | E10-F52 HydrophobicContact CB-CD2 4.39Å; E10-F52 HydrophobicContact CB-CE2 3.8Å; E10-F52 HydrophobicContact CG-CE2 3.99Å; I21-F52 HydrophobicContact CB-CD2 4.4Å; I21-F52 HydrophobicContact CD1-CB 4.38Å; I21-F52 HydrophobicContact CD1-CD2 4.41Å; I21-F52 HydrophobicContact CG2-CB 4.31Å; I21-F52 HydrophobicContact CG2-CD1 3.9Å; I21-F52 HydrophobicContact CG2-CD2 3.65Å; I21-F52 HydrophobicContact CG2-CE1 4.09Å; I21-F52 HydrophobicContact CG2-CE2 3.88Å; I21-F52 HydrophobicContact CG2-CG 3.7Å; I21-F52 HydrophobicContact CG2-CZ 4.1Å; Q22-F52 HydrophobicContact CB-CE2 4.32Å; Q22-F52 HydrophobicContact CB-CZ 4.15Å; Y35-F52 AromaticContact CD1-CE1 3.83Å; Y35-F52 HydrophobicContact CD1-CE1 3.83Å; Y35-F52 AromaticContact CD1-CZ 3.82Å; Y35-F52 HydrophobicContact CD1-CZ 3.82Å; Y35-F52 AromaticContact CE1-CE1 3.9Å; Y35-F52 HydrophobicContact CE1-CE1 3.9Å; Y35-F52 AromaticContact CE1-CZ 3.69Å; Y35-F52 HydrophobicContact CE1-CZ 3.69Å; I42-F52 HydrophobicContact CD1-CB 3.8Å; A47-F52 WeakPolarHBondContact CB-O 3.49Å; T50-F52 HydrophobicContact CG2-CD2 4.39Å; T50-F52 PolarHBondContact O-N 3.26Å; T50-F52 WeakPolarHBondContact OG1-CD2 3.22Å; T50-F52 PolarHBondContact OG1-N 2.91Å; F52-L59 HydrophobicContact CB-CD1 4.2Å; F52-L59 HydrophobicContact CD1-CD1 3.88Å; F52-L59 HydrophobicContact CD1-CD2 3.93Å; F52-L59 HydrophobicContact CD1-CG 3.91Å; F52-L59 HydrophobicContact CE1-CD2 3.98Å; F52-L59 HydrophobicContact CE1-CG 4.38Å; F52-L59 HydrophobicContact CG-CD1 4.32Å; F52-Y60 CarbonylContact C-O 3.53Å; F52-Y60 VanDerWaalsContact CA-O 3.3Å; F52-Y60 WeakPolarHBondContact CA-O 3.09Å; F52-L61 HydrophobicContact CD1-CB 4.13Å; F52-L61 HydrophobicContact CD1-CD1 4.16Å; F52-L61 HydrophobicContact CE1-CB 3.89Å; F52-L61 HydrophobicContact CE1-CD1 3.97Å; F52-L61 HydrophobicContact CE1-CD2 4.4Å; F52-L61 HydrophobicContact CE1-CG 4.31Å; F52-L61 HydrophobicContact CZ-CD1 4.19Å |
| 53 | K | 97.6 | Very high | 96.1 | Very high | 110 Ų | 110 | 84.5 Ų | 84.5 | 48% | 0.478 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 139.4 | 173.2 | -62.9 | -176.1 | -177.4 | 176.4 | 0 | 111 | Y60 | K53-Y60 PolarHBondContact N-O 3.42Å; K53-Y60 PolarHBondContact O-N 3.1Å |
| 54 | V | 97.4 | Very high | 96 | Very high | 60 Ų | 60 | 90 Ų | 90 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.8 | 169.6 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | V37 P38 I42 R58 L59 | V37-V54 HydrophobicContact CG1-CG1 4.16Å; V37-V54 HydrophobicContact CG1-CG2 4.32Å; P38-V54 HydrophobicContact CG-CG2 3.99Å; I42-V54 HydrophobicContact CD1-CG2 4.01Å; I42-V54 HydrophobicContact CG1-CG2 4.44Å; V54-R58 CarbonylContact C-O 3.59Å; V54-R58 WeakPolarHBondContact CA-O 3.43Å; V54-L59 HydrophobicContact CG2-CD1 4.02Å |
| 55 | R | 95.4 | Very high | 96 | Very high | 161 Ų | 161 | 84.8 Ų | 84.8 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 121.8 | 172.2 | -64.3 | 179.8 | 171.8 | -175.6 | -5.1 | 109.7 | Q57 R58 Y60 | R55-Q57 VanDerWaalsContact C-N 3.33Å; R55-Q57 PolarHBondContact O-N 2.88Å; R55-R58 PolarHBondContact N-O 3.31Å; R55-R58 WeakPolarHBondContact O-CB 3.39Å; R55-R58 PolarHBondContact O-N 3.12Å; R55-Y60 HydrophobicContact CB-CD2 4.18Å; R55-Y60 HydrophobicContact CB-CE2 3.77Å; R55-Y60 HydrophobicContact CG-CD2 4.45Å; R55-Y60 HydrophobicContact CG-CE2 4.44Å |
| 56 | G | 90.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 77% | 0.773 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 47.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R58 | G56-R58 PolarHBondContact O-N 2.93Å; G56-R58 VanDerWaalsContact O-N 3.15Å |
| 57 | Q | 92.1 | Very high | 96.1 | Very high | 173 Ų | 173 | 92.2 Ų | 92.2 | 81% | 0.808 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14 | -177.2 | -55.7 | 174 | 3.1 | 0 | 0 | 115.5 | R55 | R55-Q57 VanDerWaalsContact C-N 3.33Å; R55-Q57 PolarHBondContact O-N 2.88Å |
| 58 | R | 97.3 | Very high | 96.2 | Very high | 147 Ų | 147 | 93.9 Ų | 93.9 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.3 | 175.1 | -64.1 | 178.3 | -174.5 | -177.8 | 0.6 | 110.4 | V54 R55 G56 Y60 L65 | V54-R58 CarbonylContact C-O 3.59Å; V54-R58 WeakPolarHBondContact CA-O 3.43Å; R55-R58 PolarHBondContact N-O 3.31Å; R55-R58 WeakPolarHBondContact O-CB 3.39Å; R55-R58 PolarHBondContact O-N 3.12Å; G56-R58 PolarHBondContact O-N 2.93Å; G56-R58 VanDerWaalsContact O-N 3.15Å; R58-Y60 HydrophobicContact CB-CE2 3.74Å; R58-Y60 WeakPolarHBondContact O-CD2 3.34Å; R58-L65 HydrophobicContact CB-CD1 3.67Å; R58-L65 HydrophobicContact CG-CD1 4.18Å |
| 59 | L | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 87.1 Ų | 87.1 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.3 | 175.2 | -173.3 | 68.5 | 0 | 0 | 0 | 110.4 | I21 Y35 V37 I42 F52 V54 V66 T68 | I21-L59 HydrophobicContact CG2-CD1 3.92Å; I21-L59 HydrophobicContact CG2-CD2 3.6Å; I21-L59 HydrophobicContact CG2-CG 4.39Å; Y35-L59 HydrophobicContact CD1-CD2 4.38Å; V37-L59 HydrophobicContact CG2-CB 4.16Å; I42-L59 HydrophobicContact CD1-CD1 4.26Å; F52-L59 HydrophobicContact CB-CD1 4.2Å; F52-L59 HydrophobicContact CD1-CD1 3.88Å; F52-L59 HydrophobicContact CD1-CD2 3.93Å; F52-L59 HydrophobicContact CD1-CG 3.91Å; F52-L59 HydrophobicContact CE1-CD2 3.98Å; F52-L59 HydrophobicContact CE1-CG 4.38Å; F52-L59 HydrophobicContact CG-CD1 4.32Å; V54-L59 HydrophobicContact CG2-CD1 4.02Å; L59-V66 HydrophobicContact CB-CG2 3.82Å; L59-V66 HydrophobicContact CD2-CG2 3.65Å; L59-V66 HydrophobicContact CG-CG2 3.7Å; L59-V66 WeakPolarHBondContact O-CG2 3.45Å; L59-V66 PolarHBondContact O-N 2.97Å; L59-V66 VanDerWaalsContact O-N 3.13Å; L59-T68 HydrophobicContact CB-CG2 3.69Å; L59-T68 HydrophobicContact CD2-CG2 4.06Å |
| 60 | Y | 98.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 86.5 Ų | 86.5 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.2 | 175.7 | -64.6 | -103 | 0 | 0 | 0 | 109.8 | F52 K53 R55 R58 R64 L65 | F52-Y60 CarbonylContact C-O 3.53Å; F52-Y60 VanDerWaalsContact CA-O 3.3Å; F52-Y60 WeakPolarHBondContact CA-O 3.09Å; K53-Y60 PolarHBondContact N-O 3.42Å; K53-Y60 PolarHBondContact O-N 3.1Å; R55-Y60 HydrophobicContact CB-CD2 4.18Å; R55-Y60 HydrophobicContact CB-CE2 3.77Å; R55-Y60 HydrophobicContact CG-CD2 4.45Å; R55-Y60 HydrophobicContact CG-CE2 4.44Å; R58-Y60 HydrophobicContact CB-CE2 3.74Å; R58-Y60 WeakPolarHBondContact O-CD2 3.34Å; Y60-R64 CarbonylContact C-O 3.46Å; Y60-R64 WeakPolarHBondContact CA-O 3.46Å; Y60-L65 HydrophobicContact CD1-CB 4.23Å; Y60-L65 HydrophobicContact CE1-CB 3.97Å; Y60-L65 HydrophobicContact CE1-CD1 4.28Å; Y60-L65 HydrophobicContact CE2-CD1 4.36Å |
| 61 | L | 96.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 87.6 Ų | 87.6 | 11% | 0.11 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.8 | 168.1 | 177.1 | 58.7 | 0 | 0 | 0 | 108 | T50 F52 R63 R64 V66 | T50-L61 WeakPolarHBondContact O-CD1 3.46Å; F52-L61 HydrophobicContact CD1-CB 4.13Å; F52-L61 HydrophobicContact CD1-CD1 4.16Å; F52-L61 HydrophobicContact CE1-CB 3.89Å; F52-L61 HydrophobicContact CE1-CD1 3.97Å; F52-L61 HydrophobicContact CE1-CD2 4.4Å; F52-L61 HydrophobicContact CE1-CG 4.31Å; F52-L61 HydrophobicContact CZ-CD1 4.19Å; L61-R63 PolarHBondContact O-N 2.95Å; L61-R63 VanDerWaalsContact O-N 3.11Å; L61-R64 PolarHBondContact N-O 3.34Å; L61-R64 WeakPolarHBondContact O-CB 3.42Å; L61-R64 PolarHBondContact O-N 3.41Å; L61-V66 HydrophobicContact CB-CG1 3.81Å |
| 62 | D | 94 | Very high | 96.7 | Very high | 88 Ų | 88 | 93 Ų | 93 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.8 | 178.9 | -62.7 | -41 | 0 | 0 | 0 | 113.6 | G51 R64 K157 | G51-D62 PolarHBondContact O-N 2.93Å; D62-R64 PolarHBondContact O-N 3.2Å; D62-K157 IonicContact OD2-NZ 2.72Å; D62-K157 PolarHBondContact OD2-NZ 3.18Å |
| 63 | R | 94.1 | Very high | 96.7 | Very high | 232 Ų | 232 | 97.8 Ų | 97.8 | 88% | 0.875 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 1.2 | -177.1 | -45.8 | 173.5 | -177.8 | 179.6 | -0.2 | 115.5 | L61 | L61-R63 PolarHBondContact O-N 2.95Å; L61-R63 VanDerWaalsContact O-N 3.11Å |
| 64 | R | 96.6 | Very high | 96.8 | Very high | 200 Ų | 200 | 92.6 Ų | 92.6 | 76% | 0.755 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133 | 173.8 | -61.8 | -178.3 | 177 | -176.2 | -0.9 | 110.1 | Y60 L61 D62 V66 | Y60-R64 CarbonylContact C-O 3.46Å; Y60-R64 WeakPolarHBondContact CA-O 3.46Å; L61-R64 PolarHBondContact N-O 3.34Å; L61-R64 WeakPolarHBondContact O-CB 3.42Å; L61-R64 PolarHBondContact O-N 3.41Å; D62-R64 PolarHBondContact O-N 3.2Å; R64-V66 PolarHBondContact O-N 2.94Å |
| 65 | L | 97.4 | Very high | 96.9 | Very high | 93 Ų | 93 | 89.8 Ų | 89.8 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.3 | 173.3 | 178.4 | 64 | 0 | 0 | 0 | 109 | R58 Y60 | R58-L65 HydrophobicContact CB-CD1 3.67Å; R58-L65 HydrophobicContact CG-CD1 4.18Å; Y60-L65 HydrophobicContact CD1-CB 4.23Å; Y60-L65 HydrophobicContact CE1-CB 3.97Å; Y60-L65 HydrophobicContact CE1-CD1 4.28Å; Y60-L65 HydrophobicContact CE2-CD1 4.36Å |
| 66 | V | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 85 Ų | 85 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -109.7 | 144.5 | 174 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Y35 L59 L61 R64 T68 | Y35-V66 HydrophobicContact CD1-CG2 4.45Å; Y35-V66 HydrophobicContact CD2-CB 4.37Å; Y35-V66 HydrophobicContact CG-CB 4.47Å; Y35-V66 HydrophobicContact CG-CG2 4.23Å; L59-V66 HydrophobicContact CB-CG2 3.82Å; L59-V66 HydrophobicContact CD2-CG2 3.65Å; L59-V66 HydrophobicContact CG-CG2 3.7Å; L59-V66 WeakPolarHBondContact O-CG2 3.45Å; L59-V66 PolarHBondContact O-N 2.97Å; L59-V66 VanDerWaalsContact O-N 3.13Å; L61-V66 HydrophobicContact CB-CG1 3.81Å; R64-V66 PolarHBondContact O-N 2.94Å; V66-T68 HydrophobicContact CG2-CG2 4.36Å | ||
| 67 | F | 97.1 | Very high | 97.4 | Very high | 194 Ų | 194 | 83.6 Ų | 83.6 | 85% | 0.851 | 39% | 0.385 | S | S | * | . | trans | -72.5 | 133.7 | 172.8 | -68.9 | -72.3 | 0 | 0 | 0 | 109.5 | ||||
| 68 | T | 98.3 | Very high | 97.7 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | trans | -122.3 | 153.7 | -176.3 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | Y35 V37 L59 V66 | Y35-T68 CarbonylContact O-C 3.42Å; Y35-T68 VanDerWaalsContact O-CA 3.31Å; Y35-T68 WeakPolarHBondContact O-CA 3.34Å; V37-T68 HydrophobicContact CG2-CG2 3.65Å; V37-T68 WeakPolarHBondContact CG2-OG1 3.32Å; L59-T68 HydrophobicContact CB-CG2 3.69Å; L59-T68 HydrophobicContact CD2-CG2 4.06Å; V66-T68 HydrophobicContact CG2-CG2 4.36Å | ||
| 69 | N | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -117.9 | 168 | 175.5 | -47.7 | -94.2 | 0 | 0 | 0 | 108.7 | Y35 E73 V74 | Y35-N69 PolarHBondContact O-N 2.57Å; N69-E73 HydrophobicContact CB-CB 3.91Å; N69-V74 HydrophobicContact CB-CG2 3.89Å |
| 70 | S | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | trans | -66.4 | 156.2 | 164.2 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | R72 E73 V74 | S70-R72 PolarHBondContact O-N 3.07Å; S70-E73 WeakPolarHBondContact CB-OE2 3.18Å; S70-E73 PolarHBondContact N-OE2 3.04Å; S70-E73 PolarHBondContact O-N 3.03Å; S70-E73 WeakPolarHBondContact OG-CB 3.34Å; S70-E73 VanDerWaalsContact OG-CD 3.23Å; S70-E73 VanDerWaalsContact OG-CG 3.25Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 2.85Å; S70-E73 PolarHBondContact OG-OE2 2.88Å; S70-V74 PolarHBondContact O-N 3.14Å; S70-V74 VanDerWaalsContact O-N 3.1Å | ||
| 71 | L | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.2 | -39.6 | 175 | -177.3 | 63.2 | 0 | 0 | 0 | 111.6 | I20 V36 V74 V75 A106 L110 | I20-L71 HydrophobicContact CB-CD1 4.49Å; I20-L71 HydrophobicContact CD1-CD1 4.33Å; V36-L71 HydrophobicContact CG1-CB 4.49Å; L71-V74 PolarHBondContact O-N 3.27Å; L71-V75 HydrophobicContact CD1-CG2 4.25Å; L71-V75 HydrophobicContact CG-CG2 4.46Å; L71-V75 WeakPolarHBondContact O-CG2 3.14Å; L71-V75 PolarHBondContact O-N 3.32Å; L71-A106 HydrophobicContact CD1-CB 4.39Å; L71-A106 HydrophobicContact CD2-CB 4.22Å; L71-L110 HydrophobicContact CG-CD1 4.17Å |
| 72 | R | 98.7 | Very high | 97.9 | Very high | 124 Ų | 124 | 68 Ų | 68 | 47% | 0.468 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.8 | -176.7 | 176.5 | -78.6 | -80.7 | -3.1 | 112 | S70 V74 V75 V76 L110 | S70-R72 PolarHBondContact O-N 3.07Å; R72-V74 VanDerWaalsContact C-N 3.3Å; R72-V74 PolarHBondContact O-N 2.85Å; R72-V75 PolarHBondContact O-N 2.98Å; R72-V76 HydrophobicContact CG-CG2 4.16Å; R72-V76 WeakPolarHBondContact O-CB 3.43Å; R72-V76 VanDerWaalsContact O-CG2 3.25Å; R72-V76 WeakPolarHBondContact O-CG2 3.35Å; R72-V76 PolarHBondContact O-N 2.76Å; R72-L110 HydrophobicContact CB-CD1 4.32Å; R72-L110 HydrophobicContact CB-CD2 3.87Å; R72-L110 HydrophobicContact CG-CD2 4.37Å; R72-L110 PolarHBondContact NH1-O 3.04Å; R72-L110 PolarHBondContact NH2-O 3.04Å |
| 73 | E | 98.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.5 | -74 | 160.6 | 145.1 | 0 | 0 | 111.8 | N69 S70 S77 | N69-E73 HydrophobicContact CB-CB 3.91Å; S70-E73 WeakPolarHBondContact CB-OE2 3.18Å; S70-E73 PolarHBondContact N-OE2 3.04Å; S70-E73 PolarHBondContact O-N 3.03Å; S70-E73 WeakPolarHBondContact OG-CB 3.34Å; S70-E73 VanDerWaalsContact OG-CD 3.23Å; S70-E73 VanDerWaalsContact OG-CG 3.25Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 2.85Å; S70-E73 PolarHBondContact OG-OE2 2.88Å; E73-S77 WeakPolarHBondContact O-CB 3.27Å; E73-S77 PolarHBondContact O-N 3.28Å; E73-S77 PolarHBondContact O-OG 3.47Å |
| 74 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L23 L34 V36 N69 S70 L71 R72 S77 F78 | L23-V74 HydrophobicContact CB-CG1 3.73Å; L23-V74 HydrophobicContact CD1-CG1 4.01Å; L23-V74 HydrophobicContact CG-CG1 4.37Å; L34-V74 HydrophobicContact CB-CB 4.47Å; L34-V74 HydrophobicContact CB-CG1 4.15Å; L34-V74 HydrophobicContact CB-CG2 3.79Å; L34-V74 HydrophobicContact CD1-CB 4.36Å; L34-V74 HydrophobicContact CD1-CG1 4.36Å; L34-V74 HydrophobicContact CD1-CG2 4.2Å; V36-V74 HydrophobicContact CG2-CB 4.08Å; V36-V74 HydrophobicContact CG2-CG1 4.47Å; V36-V74 HydrophobicContact CG2-CG2 3.43Å; V36-V74 VanDerWaalsContact CG2-CG2 3.43Å; N69-V74 HydrophobicContact CB-CG2 3.89Å; S70-V74 PolarHBondContact O-N 3.14Å; S70-V74 VanDerWaalsContact O-N 3.1Å; L71-V74 PolarHBondContact O-N 3.27Å; R72-V74 VanDerWaalsContact C-N 3.3Å; R72-V74 PolarHBondContact O-N 2.85Å; V74-S77 PolarHBondContact O-N 2.95Å; V74-F78 PolarHBondContact O-N 3.36Å |
| 75 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | -178.4 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | L71 R72 S77 F78 I79 A106 L107 L110 L112 | L71-V75 HydrophobicContact CD1-CG2 4.25Å; L71-V75 HydrophobicContact CG-CG2 4.46Å; L71-V75 WeakPolarHBondContact O-CG2 3.14Å; L71-V75 PolarHBondContact O-N 3.32Å; R72-V75 PolarHBondContact O-N 2.98Å; V75-S77 VanDerWaalsContact C-N 3.35Å; V75-S77 PolarHBondContact O-N 2.79Å; V75-F78 PolarHBondContact O-N 2.87Å; V75-I79 HydrophobicContact CG1-CD1 4.06Å; V75-I79 WeakPolarHBondContact O-CG1 3.45Å; V75-I79 PolarHBondContact O-N 3.26Å; V75-A106 HydrophobicContact CG2-CB 4.37Å; V75-L107 HydrophobicContact CG1-CD2 3.53Å; V75-L107 HydrophobicContact CG1-CG 4.43Å; V75-L110 HydrophobicContact CB-CD1 3.89Å; V75-L110 HydrophobicContact CG1-CD1 4.26Å; V75-L110 HydrophobicContact CG2-CD1 3.85Å; V75-L112 HydrophobicContact CB-CD1 4.23Å; V75-L112 HydrophobicContact CG1-CB 4.44Å; V75-L112 HydrophobicContact CG1-CD1 3.67Å |
| 76 | V | 98.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.6 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | R72 F78 I79 A80 L112 | R72-V76 HydrophobicContact CG-CG2 4.16Å; R72-V76 WeakPolarHBondContact O-CB 3.43Å; R72-V76 VanDerWaalsContact O-CG2 3.25Å; R72-V76 WeakPolarHBondContact O-CG2 3.35Å; R72-V76 PolarHBondContact O-N 2.76Å; V76-F78 VanDerWaalsContact C-N 3.31Å; V76-F78 PolarHBondContact O-N 2.9Å; V76-I79 PolarHBondContact O-N 3.35Å; V76-A80 WeakPolarHBondContact O-CB 3.4Å; V76-A80 PolarHBondContact O-N 3.44Å; V76-L112 HydrophobicContact CG2-CD1 3.8Å |
| 77 | S | 98.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | E73 V74 V75 A80 F81 | E73-S77 WeakPolarHBondContact O-CB 3.27Å; E73-S77 PolarHBondContact O-N 3.28Å; E73-S77 PolarHBondContact O-OG 3.47Å; V74-S77 PolarHBondContact O-N 2.95Å; V75-S77 VanDerWaalsContact C-N 3.35Å; V75-S77 PolarHBondContact O-N 2.79Å; S77-A80 PolarHBondContact O-N 2.79Å; S77-F81 WeakPolarHBondContact O-CB 3.39Å; S77-F81 PolarHBondContact O-N 2.69Å |
| 78 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 174.7 | -176.5 | -134 | 0 | 0 | 0 | 111.7 | V5 F7 L23 A25 L32 V74 V75 V76 A80 F81 L82 V90 L103 F116 | V5-F78 HydrophobicContact CG1-CE2 4.23Å; F7-F78 HydrophobicContact CB-CE2 4.19Å; F7-F78 HydrophobicContact CB-CZ 3.97Å; F7-F78 HydrophobicContact CD2-CE1 4.48Å; F7-F78 HydrophobicContact CD2-CZ 4.18Å; F7-F78 HydrophobicContact CG-CZ 4.01Å; L23-F78 HydrophobicContact CD1-CB 4.06Å; L23-F78 HydrophobicContact CD1-CD1 3.96Å; L23-F78 HydrophobicContact CD1-CG 4Å; L23-F78 HydrophobicContact CD2-CB 4.03Å; L23-F78 HydrophobicContact CD2-CD2 3.84Å; L23-F78 HydrophobicContact CD2-CE2 4.44Å; L23-F78 HydrophobicContact CD2-CG 3.91Å; A25-F78 HydrophobicContact CB-CD2 4.06Å; A25-F78 HydrophobicContact CB-CE2 3.68Å; L32-F78 HydrophobicContact CD2-CB 4Å; L32-F78 HydrophobicContact CD2-CD2 4.1Å; V74-F78 PolarHBondContact O-N 3.36Å; V75-F78 PolarHBondContact O-N 2.87Å; V76-F78 VanDerWaalsContact C-N 3.31Å; V76-F78 PolarHBondContact O-N 2.9Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 2.67Å; F78-F81 WeakPolarHBondContact O-CB 3.35Å; F78-F81 PolarHBondContact O-N 2.84Å; F78-F81 VanDerWaalsContact O-N 3.16Å; F78-L82 HydrophobicContact CD1-CD1 4.2Å; F78-L82 HydrophobicContact CD2-CD1 4.46Å; F78-L82 HydrophobicContact CD2-CG 4.38Å; F78-L82 HydrophobicContact CE1-CD1 3.99Å; F78-L82 HydrophobicContact CE2-CD1 4.24Å; F78-L82 HydrophobicContact CE2-CD2 4.01Å; F78-L82 HydrophobicContact CE2-CG 4.16Å; F78-L82 HydrophobicContact CG-CD1 4.45Å; F78-L82 HydrophobicContact CZ-CD1 4.01Å; F78-L82 HydrophobicContact CZ-CD2 4.16Å; F78-L82 HydrophobicContact CZ-CG 4.37Å; F78-L82 VanDerWaalsContact O-CG 3.29Å; F78-L82 WeakPolarHBondContact O-CG 3.49Å; F78-L82 PolarHBondContact O-N 2.72Å; F78-V90 HydrophobicContact CZ-CG1 4.5Å; F78-L103 HydrophobicContact CD1-CD1 4.5Å; F78-L103 HydrophobicContact CE1-CD2 3.96Å; F78-F116 HydrophobicContact CD1-CE2 4.26Å; F78-F116 AromaticContact CE1-CE2 3.78Å; F78-F116 HydrophobicContact CE1-CE2 3.78Å |
| 79 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 174.8 | -68.7 | 169 | 0 | 0 | 0 | 111.2 | V75 V76 F81 L82 Q83 L107 L112 Q115 F116 | V75-I79 HydrophobicContact CG1-CD1 4.06Å; V75-I79 WeakPolarHBondContact O-CG1 3.45Å; V75-I79 PolarHBondContact O-N 3.26Å; V76-I79 PolarHBondContact O-N 3.35Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.96Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.84Å; I79-L82 VanDerWaalsContact O-N 3.13Å; I79-Q83 HydrophobicContact CG2-CG 4.36Å; I79-Q83 WeakPolarHBondContact O-CG 3.43Å; I79-Q83 PolarHBondContact O-N 3Å; I79-L107 HydrophobicContact CD1-CD2 4.03Å; I79-L112 HydrophobicContact CD1-CB 4.02Å; I79-L112 HydrophobicContact CD1-CD1 4.43Å; I79-Q115 HydrophobicContact CD1-CB 4.44Å; I79-Q115 HydrophobicContact CG2-CG 3.88Å; I79-F116 HydrophobicContact CD1-CB 4.09Å; I79-F116 HydrophobicContact CG1-CB 4.14Å; I79-F116 HydrophobicContact CG1-CD2 4.16Å |
| 80 | A | 98.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V76 S77 F78 L82 Q83 M84 | V76-A80 WeakPolarHBondContact O-CB 3.4Å; V76-A80 PolarHBondContact O-N 3.44Å; S77-A80 PolarHBondContact O-N 2.79Å; F78-A80 VanDerWaalsContact C-N 3.34Å; F78-A80 PolarHBondContact O-N 2.67Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.16Å; A80-Q83 PolarHBondContact O-N 2.94Å; A80-M84 WeakPolarHBondContact O-CB 3.21Å; A80-M84 PolarHBondContact O-N 2.93Å |
| 81 | F | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 174 | -173.7 | -91 | 0 | 0 | 0 | 111.9 | V5 A25 H30 L32 S77 F78 I79 M84 L85 | V5-F81 HydrophobicContact CG1-CD1 4.28Å; V5-F81 HydrophobicContact CG1-CE1 3.98Å; V5-F81 HydrophobicContact CG2-CD1 4.48Å; V5-F81 HydrophobicContact CG2-CE1 4.12Å; A25-F81 HydrophobicContact CB-CD1 4.32Å; A25-F81 HydrophobicContact CB-CE1 4.14Å; H30-F81 HydrophobicContact CB-CE2 3.75Å; H30-F81 HydrophobicContact CB-CZ 3.81Å; L32-F81 HydrophobicContact CB-CD2 4.05Å; L32-F81 HydrophobicContact CB-CE2 4.24Å; L32-F81 HydrophobicContact CB-CG 4.37Å; L32-F81 HydrophobicContact CD2-CB 4.33Å; S77-F81 WeakPolarHBondContact O-CB 3.39Å; S77-F81 PolarHBondContact O-N 2.69Å; F78-F81 WeakPolarHBondContact O-CB 3.35Å; F78-F81 PolarHBondContact O-N 2.84Å; F78-F81 VanDerWaalsContact O-N 3.16Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 2.96Å; F81-M84 HydrophobicContact CD2-CE 4.09Å; F81-M84 HydrophobicContact CE2-CE 4.17Å; F81-L85 HydrophobicContact CD1-CD1 4Å; F81-L85 HydrophobicContact CE1-CD1 3.65Å; F81-L85 HydrophobicContact CZ-CD1 4.21Å; F81-L85 WeakPolarHBondContact O-CG 3.19Å |
| 82 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | 176 | -60.3 | 167.3 | 0 | 0 | 0 | 111.8 | V5 F78 I79 A80 L85 G86 P88 V90 F116 V120 | V5-L82 HydrophobicContact CB-CD2 4Å; V5-L82 HydrophobicContact CG1-CD2 3.87Å; V5-L82 HydrophobicContact CG2-CD2 3.99Å; F78-L82 HydrophobicContact CD1-CD1 4.2Å; F78-L82 HydrophobicContact CD2-CD1 4.46Å; F78-L82 HydrophobicContact CD2-CG 4.38Å; F78-L82 HydrophobicContact CE1-CD1 3.99Å; F78-L82 HydrophobicContact CE2-CD1 4.24Å; F78-L82 HydrophobicContact CE2-CD2 4.01Å; F78-L82 HydrophobicContact CE2-CG 4.16Å; F78-L82 HydrophobicContact CG-CD1 4.45Å; F78-L82 HydrophobicContact CZ-CD1 4.01Å; F78-L82 HydrophobicContact CZ-CD2 4.16Å; F78-L82 HydrophobicContact CZ-CG 4.37Å; F78-L82 VanDerWaalsContact O-CG 3.29Å; F78-L82 WeakPolarHBondContact O-CG 3.49Å; F78-L82 PolarHBondContact O-N 2.72Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.84Å; I79-L82 VanDerWaalsContact O-N 3.13Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.16Å; L82-L85 CarbonylContact O-C 3.55Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-L85 VanDerWaalsContact O-N 3.1Å; L82-G86 PolarHBondContact O-N 3.33Å; L82-P88 HydrophobicContact CB-CG 4.17Å; L82-P88 HydrophobicContact CD2-CG 3.61Å; L82-P88 WeakPolarHBondContact O-CD 3.31Å; L82-V90 HydrophobicContact CD1-CG2 4.4Å; L82-V90 HydrophobicContact CD2-CG2 3.68Å; L82-F116 HydrophobicContact CD1-CD2 3.89Å; L82-F116 HydrophobicContact CD1-CE2 3.57Å; L82-V120 HydrophobicContact CD1-CG1 3.74Å; L82-V120 HydrophobicContact CD2-CG1 4.37Å; L82-V120 HydrophobicContact CG-CG1 4.44Å |
| 83 | Q | 97.8 | Very high | 98.1 | Very high | 92 Ų | 92 | 34.4 Ų | 34.4 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 178.8 | -72.2 | 171.7 | -7.8 | 0 | 0 | 112.5 | I79 A80 L85 G86 S119 | I79-Q83 HydrophobicContact CG2-CG 4.36Å; I79-Q83 WeakPolarHBondContact O-CG 3.43Å; I79-Q83 PolarHBondContact O-N 3Å; A80-Q83 PolarHBondContact O-N 2.94Å; Q83-L85 PolarHBondContact O-N 2.89Å; Q83-L85 VanDerWaalsContact O-N 3.12Å; Q83-G86 PolarHBondContact O-N 3.46Å; Q83-S119 WeakPolarHBondContact CG-OG 3.42Å; Q83-S119 PolarHBondContact NE2-OG 2.86Å |
| 84 | M | 97.3 | Very high | 98 | Very high | 109 Ų | 109 | 32.3 Ų | 32.3 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54 | -31.1 | 173.3 | 178.1 | -168.1 | 68.5 | 0 | 0 | 111.9 | H30 A80 F81 | H30-M84 HydrophobicContact CB-CE 4.35Å; A80-M84 WeakPolarHBondContact O-CB 3.21Å; A80-M84 PolarHBondContact O-N 2.93Å; F81-M84 HydrophobicContact CD2-CE 4.09Å; F81-M84 HydrophobicContact CE2-CE 4.17Å |
| 85 | L | 96.8 | Very high | 98 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 8.2 | -178.5 | -62.4 | 172 | 0 | 0 | 0 | 113.5 | P3 V5 F81 L82 Q83 P88 | P3-L85 WeakPolarHBondContact CG-O 3.48Å; V5-L85 HydrophobicContact CG2-CD1 3.32Å; F81-L85 HydrophobicContact CD1-CD1 4Å; F81-L85 HydrophobicContact CE1-CD1 3.65Å; F81-L85 HydrophobicContact CZ-CD1 4.21Å; F81-L85 WeakPolarHBondContact O-CG 3.19Å; L82-L85 CarbonylContact O-C 3.55Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-L85 VanDerWaalsContact O-N 3.1Å; Q83-L85 PolarHBondContact O-N 2.89Å; Q83-L85 VanDerWaalsContact O-N 3.12Å; L85-P88 HydrophobicContact CB-CG 4.3Å |
| 86 | G | 95.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 33.5 Ų | 33.5 | 58% | 0.577 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 48.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L82 Q83 | L82-G86 PolarHBondContact O-N 3.33Å; Q83-G86 PolarHBondContact O-N 3.46Å |
| 87 | R | 95.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 37.2 Ų | 37.2 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 63.7 | 68.9 | 179.4 | -54.9 | 178.3 | 66.1 | -149.1 | -4.8 | 112.9 | G118 S119 V120 L121 | R87-G118 WeakPolarHBondContact CD-O 3.17Å; R87-G118 PolarHBondContact NE-O 3.4Å; R87-S119 WeakPolarHBondContact CA-O 3.44Å; R87-V120 PolarHBondContact NH2-O 2.85Å; R87-L121 HydrophobicContact CB-CG 4.45Å; R87-L121 WeakPolarHBondContact O-CD1 3.22Å; R87-L121 WeakPolarHBondContact O-CG 3.34Å |
| 88 | P | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 169.6 | 179.8 | 31 | -37.7 | 0 | 0 | 0 | 113.1 | P3 V5 L82 L85 V120 L121 | P3-P88 HydrophobicContact CB-CB 4.16Å; P3-P88 CarbonylContact O-C 3.57Å; P3-P88 WeakPolarHBondContact O-CA 3.41Å; P3-P88 WeakPolarHBondContact O-CB 3.47Å; V5-P88 HydrophobicContact CB-CB 4.35Å; V5-P88 HydrophobicContact CB-CG 4.28Å; V5-P88 HydrophobicContact CG2-CB 3.68Å; V5-P88 HydrophobicContact CG2-CG 3.57Å; L82-P88 HydrophobicContact CB-CG 4.17Å; L82-P88 HydrophobicContact CD2-CG 3.61Å; L82-P88 WeakPolarHBondContact O-CD 3.31Å; L85-P88 HydrophobicContact CB-CG 4.3Å; P88-V120 WeakPolarHBondContact O-CA 3.48Å; P88-L121 PolarHBondContact O-N 3.25Å |
| 89 | L | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130 | 155.2 | -70.9 | 170.1 | 0 | 0 | 0 | 109 | P3 L4 V5 L121 V124 V182 M186 | P3-L89 PolarHBondContact O-N 2.93Å; L4-L89 HydrophobicContact CD2-CB 3.88Å; L4-L89 HydrophobicContact CD2-CD1 4.07Å; V5-L89 PolarHBondContact N-O 3.33Å; L89-L121 HydrophobicContact CD2-CB 3.83Å; L89-L121 HydrophobicContact CG-CB 4.39Å; L89-V124 HydrophobicContact CD2-CG2 4.5Å; L89-V182 HydrophobicContact CD1-CG1 4.16Å; L89-M186 HydrophobicContact CD1-SD 4.41Å; L89-M186 HydrophobicContact CD2-CE 3.44Å; L89-M186 VanDerWaalsContact CD2-CE 3.44Å; L89-M186 HydrophobicContact CD2-CG 4.37Å; L89-M186 HydrophobicContact CD2-SD 3.87Å |
| 90 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.5 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | V5 F7 F78 L82 V120 G122 C123 V124 | V5-V90 CarbonylContact O-C 3.56Å; V5-V90 WeakPolarHBondContact O-CA 3.44Å; F7-V90 HydrophobicContact CD1-CG1 3.11Å; F7-V90 HydrophobicContact CE1-CG1 3.33Å; F7-V90 HydrophobicContact CG-CG1 4.01Å; F7-V90 HydrophobicContact CZ-CG1 4.38Å; F78-V90 HydrophobicContact CZ-CG1 4.5Å; L82-V90 HydrophobicContact CD1-CG2 4.4Å; L82-V90 HydrophobicContact CD2-CG2 3.68Å; V90-V120 HydrophobicContact CG2-CB 4.38Å; V90-V120 HydrophobicContact CG2-CG1 3.59Å; V90-G122 PolarHBondContact N-O 3.38Å; V90-C123 CarbonylContact O-C 3.56Å; V90-C123 WeakPolarHBondContact O-CA 3.35Å; V90-V124 PolarHBondContact O-N 3.12Å |
| 91 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.2 | -172.2 | -173 | 0 | 0 | 0 | 0 | 108.5 | L4 V5 F6 F7 V124 T126 F172 | L4-V91 HydrophobicContact CB-CG2 4.37Å; L4-V91 HydrophobicContact CD2-CG2 4.15Å; V5-V91 PolarHBondContact O-N 2.92Å; F6-V91 CarbonylContact C-O 3.55Å; F6-V91 VanDerWaalsContact CA-O 3.22Å; F6-V91 WeakPolarHBondContact CA-O 3.33Å; F6-V91 HydrophobicContact CD1-CB 3.82Å; F6-V91 HydrophobicContact CD1-CG1 3.78Å; F6-V91 HydrophobicContact CE1-CB 3.94Å; F6-V91 HydrophobicContact CE1-CG1 3.62Å; F6-V91 HydrophobicContact CG-CB 4.46Å; F7-V91 PolarHBondContact N-O 2.87Å; V91-V124 HydrophobicContact CG1-CB 4.45Å; V91-V124 HydrophobicContact CG2-CB 4.28Å; V91-T126 HydrophobicContact CG1-CG2 3.37Å; V91-F172 HydrophobicContact CG1-CD2 4.08Å; V91-F172 HydrophobicContact CG1-CE2 4.05Å |
| 92 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I95 V124 T126 L168 | G92-I95 VanDerWaalsContact CA-CG2 3.45Å; G92-V124 PolarHBondContact N-O 3.26Å; G92-V124 VanDerWaalsContact N-O 3.17Å; G92-T126 WeakPolarHBondContact O-CB 3.43Å; G92-T126 WeakPolarHBondContact O-CG2 3.39Å; G92-T126 PolarHBondContact O-N 3.49Å; G92-T126 PolarHBondContact O-OG1 2.93Å; G92-L168 VanDerWaalsContact CA-CD2 3.48Å |
| 93 | H | 98.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -111 | 117.9 | -176.7 | -163.7 | 80 | 0 | 0 | 0 | 111.5 | I95 T126 F142 Q144 L168 | H93-I95 PolarHBondContact O-N 2.99Å; H93-T126 VanDerWaalsContact CA-OG1 3.25Å; H93-T126 WeakPolarHBondContact CA-OG1 3.26Å; H93-T126 WeakPolarHBondContact CB-OG1 3.44Å; H93-T126 PolarHBondContact ND1-OG1 2.83Å; H93-F142 PolarHBondContact CE1-O 3.37Å; H93-F142 VanDerWaalsContact CE1-O 3.26Å; H93-F142 PolarHBondContact NE2-O 3.16Å; H93-Q144 HydrophobicContact CB-CB 4.43Å; H93-Q144 VanDerWaalsContact CB-OE1 3.23Å; H93-Q144 PolarHBondContact NE2-N 3.3Å; H93-L168 HydrophobicContact CB-CD1 4.26Å; H93-L168 HydrophobicContact CB-CD2 4.13Å |
| 94 | N | 97.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 33.4 Ų | 33.4 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 62.3 | 18.1 | -172 | -165.8 | 48.3 | 0 | 0 | 0 | 114.1 | R96 H97 F98 D125 L127 | N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.8Å; N94-H97 PolarHBondContact O-N 3.15Å; N94-F98 PolarHBondContact O-N 3.34Å; N94-D125 VanDerWaalsContact CA-OD1 3.24Å; N94-D125 WeakPolarHBondContact CA-OD1 3.25Å; N94-D125 VanDerWaalsContact CA-OD2 3.29Å; N94-D125 WeakPolarHBondContact CA-OD2 3.33Å; N94-D125 PolarHBondContact N-OD1 2.77Å; N94-L127 HydrophobicContact CB-CB 4.29Å; N94-L127 HydrophobicContact CB-CD2 3.86Å; N94-L127 WeakPolarHBondContact OD1-CD2 3.4Å |
| 95 | I | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -27.1 | -174.6 | 54.9 | 162.9 | 0 | 0 | 0 | 113.4 | F7 G92 H93 H97 F98 D99 C100 C123 V124 D125 F187 | F7-I95 HydrophobicContact CE1-CB 4.19Å; F7-I95 HydrophobicContact CE1-CD1 3.72Å; F7-I95 HydrophobicContact CE1-CG2 3.83Å; F7-I95 HydrophobicContact CZ-CB 4.3Å; F7-I95 HydrophobicContact CZ-CG2 4.01Å; G92-I95 VanDerWaalsContact CA-CG2 3.45Å; H93-I95 PolarHBondContact O-N 2.99Å; I95-H97 PolarHBondContact O-N 3.48Å; I95-F98 PolarHBondContact O-N 2.93Å; I95-D99 HydrophobicContact CB-CB 3.98Å; I95-D99 HydrophobicContact CG2-CB 3.74Å; I95-D99 PolarHBondContact O-N 3.25Å; I95-C100 VanDerWaalsContact O-CB 3.23Å; I95-C100 WeakPolarHBondContact O-CB 3.33Å; I95-C100 PolarHBondContact O-N 3.34Å; I95-C123 HydrophobicContact CD1-CB 4.33Å; I95-V124 WeakPolarHBondContact CD1-O 3.13Å; I95-D125 HydrophobicContact CG1-CB 4.22Å; I95-D125 PolarHBondContact N-OD2 3.18Å; I95-F187 HydrophobicContact CD1-CE1 4.28Å; I95-F187 HydrophobicContact CD1-CZ 4.08Å; I95-F187 HydrophobicContact CG1-CE1 4.37Å; I95-F187 HydrophobicContact CG1-CZ 4.15Å |
| 96 | R | 96.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 11% | 0.106 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -33.4 | -179.8 | -173.4 | 177.8 | -176.3 | 155.7 | 7.9 | 111.2 | N94 P101 D125 F187 T191 L192 S194 | N94-R96 VanDerWaalsContact C-N 3.26Å; N94-R96 PolarHBondContact O-N 2.8Å; R96-P101 WeakPolarHBondContact O-CD 3.33Å; R96-P101 WeakPolarHBondContact O-CG 3.25Å; R96-D125 HydrophobicContact CB-CB 4.1Å; R96-D125 VanDerWaalsContact CB-OD2 3.26Å; R96-D125 WeakPolarHBondContact CB-OD2 3.4Å; R96-D125 PolarHBondContact N-OD2 2.83Å; R96-F187 HydrophobicContact CB-CD1 4.43Å; R96-F187 HydrophobicContact CB-CE1 3.87Å; R96-F187 HydrophobicContact CB-CE2 4.17Å; R96-F187 HydrophobicContact CB-CZ 3.72Å; R96-F187 HydrophobicContact CG-CD1 4.41Å; R96-F187 HydrophobicContact CG-CD2 4.17Å; R96-F187 HydrophobicContact CG-CE1 4.27Å; R96-F187 HydrophobicContact CG-CE2 4.04Å; R96-F187 HydrophobicContact CG-CG 4.36Å; R96-F187 HydrophobicContact CG-CZ 4.08Å; R96-T191 PolarHBondContact NH2-O 2.81Å; R96-L192 HydrophobicContact CG-CD2 4.2Å; R96-S194 PolarHBondContact NH2-O 2.91Å |
| 97 | H | 94.3 | Very high | 97.2 | Very high | 138 Ų | 138 | 28.7 Ų | 28.7 | 64% | 0.639 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -12.2 | -176.5 | -71.7 | -63.5 | 0 | 0 | 0 | 113.9 | N94 I95 | N94-H97 PolarHBondContact O-N 3.15Å; I95-H97 PolarHBondContact O-N 3.48Å |
| 98 | F | 94.8 | Very high | 97.3 | Very high | 48 Ų | 48 | 26.9 Ų | 26.9 | 21% | 0.211 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -71.8 | -174.3 | -166.1 | -116.3 | 0 | 0 | 0 | 113.3 | T11 L14 N94 I95 P101 L102 | T11-F98 HydrophobicContact CG2-CE1 3.84Å; T11-F98 HydrophobicContact CG2-CZ 3.93Å; L14-F98 HydrophobicContact CD2-CE1 4.35Å; L14-F98 HydrophobicContact CD2-CE2 3.73Å; L14-F98 HydrophobicContact CD2-CZ 3.59Å; N94-F98 PolarHBondContact O-N 3.34Å; I95-F98 PolarHBondContact O-N 2.93Å; F98-P101 WeakPolarHBondContact O-CD 3.2Å; F98-L102 PolarHBondContact O-N 2.89Å |
| 99 | D | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | -171.3 | -56.1 | -108.6 | 0 | 0 | 0 | 113.1 | F7 L9 I95 L102 L103 | F7-D99 HydrophobicContact CE2-CB 3.88Å; F7-D99 HydrophobicContact CZ-CB 3.73Å; L9-D99 WeakPolarHBondContact CB-OD1 3.21Å; L9-D99 HydrophobicContact CD1-CB 3.95Å; L9-D99 HydrophobicContact CG-CB 4.16Å; L9-D99 PolarHBondContact N-OD1 3.48Å; I95-D99 HydrophobicContact CB-CB 3.98Å; I95-D99 HydrophobicContact CG2-CB 3.74Å; I95-D99 PolarHBondContact O-N 3.25Å; D99-L102 PolarHBondContact O-N 2.95Å; D99-L103 VanDerWaalsContact O-CB 3.3Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.47Å |
| 100 | C | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | -178.1 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | I95 L102 L103 A104 F187 L189 L192 | I95-C100 VanDerWaalsContact O-CB 3.23Å; I95-C100 WeakPolarHBondContact O-CB 3.33Å; I95-C100 PolarHBondContact O-N 3.34Å; C100-L102 VanDerWaalsContact C-N 3.29Å; C100-L102 PolarHBondContact O-N 2.94Å; C100-L103 PolarHBondContact O-N 3.42Å; C100-A104 VanDerWaalsContact O-CB 3.25Å; C100-A104 WeakPolarHBondContact O-CB 3.39Å; C100-A104 PolarHBondContact O-N 2.99Å; C100-F187 HydrophobicContact CB-CE2 4.04Å; C100-F187 HydrophobicContact CB-CZ 4.28Å; C100-L189 HydrophobicContact CB-CD2 3.97Å; C100-L192 HydrophobicContact CB-CD2 3.77Å |
| 101 | P | 96.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 39 Ų | 39 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.1 | -41.5 | 169.8 | -28.6 | 34.5 | 0 | 0 | 0 | 113.3 | R96 F98 R105 L192 | R96-P101 WeakPolarHBondContact O-CD 3.33Å; R96-P101 WeakPolarHBondContact O-CG 3.25Å; F98-P101 WeakPolarHBondContact O-CD 3.2Å; P101-R105 PolarHBondContact O-N 3.48Å; P101-R105 VanDerWaalsContact O-N 3.1Å; P101-L192 HydrophobicContact CG-CD2 4.42Å |
| 102 | L | 96.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -41.6 | 179.5 | -177.5 | 59.4 | 0 | 0 | 0 | 112 | L9 T11 C18 I20 F98 D99 C100 R105 A106 | L9-L102 HydrophobicContact CD1-CB 4.4Å; L9-L102 HydrophobicContact CD1-CD2 4.2Å; L9-L102 HydrophobicContact CD1-CG 4.41Å; T11-L102 HydrophobicContact CG2-CD2 3.34Å; C18-L102 WeakPolarHBondContact O-CD1 3.43Å; I20-L102 HydrophobicContact CD1-CG 4.19Å; I20-L102 HydrophobicContact CG1-CD1 4.38Å; I20-L102 HydrophobicContact CG1-CD2 3.6Å; I20-L102 HydrophobicContact CG1-CG 3.71Å; F98-L102 PolarHBondContact O-N 2.89Å; D99-L102 PolarHBondContact O-N 2.95Å; C100-L102 VanDerWaalsContact C-N 3.29Å; C100-L102 PolarHBondContact O-N 2.94Å; L102-R105 PolarHBondContact O-N 2.99Å; L102-A106 PolarHBondContact O-N 3.38Å; L102-A106 VanDerWaalsContact O-N 3.1Å |
| 103 | L | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.1 | 178.9 | 62.5 | 0 | 0 | 0 | 111.4 | F7 F78 D99 C100 R105 A106 L107 F116 | F7-L103 HydrophobicContact CE2-CD2 4.34Å; F7-L103 HydrophobicContact CZ-CD2 4.48Å; F78-L103 HydrophobicContact CD1-CD1 4.5Å; F78-L103 HydrophobicContact CE1-CD2 3.96Å; D99-L103 VanDerWaalsContact O-CB 3.3Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.47Å; C100-L103 PolarHBondContact O-N 3.42Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.84Å; L103-A106 PolarHBondContact O-N 2.95Å; L103-A106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CD1-CD1 4.32Å; L103-L107 HydrophobicContact CD1-CG 4.26Å; L103-L107 HydrophobicContact CG-CD1 3.9Å; L103-L107 HydrophobicContact CG-CG 4.31Å; L103-L107 WeakPolarHBondContact O-CB 3.38Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.3Å; L103-F116 HydrophobicContact CD2-CE2 3.84Å; L103-F116 HydrophobicContact CD2-CZ 3.86Å |
| 104 | A | 97.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | C100 A106 L107 D108 L189 L192 | C100-A104 VanDerWaalsContact O-CB 3.25Å; C100-A104 WeakPolarHBondContact O-CB 3.39Å; C100-A104 PolarHBondContact O-N 2.99Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 3.13Å; A104-L107 WeakPolarHBondContact O-CB 3.4Å; A104-L107 PolarHBondContact O-N 2.97Å; A104-D108 WeakPolarHBondContact O-CB 3.28Å; A104-D108 VanDerWaalsContact O-CG 3.25Å; A104-D108 PolarHBondContact O-N 3.1Å; A104-L189 HydrophobicContact CB-CD1 4.28Å; A104-L192 HydrophobicContact CB-CD1 4.17Å |
| 105 | R | 96.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.5 | -168.4 | -173.9 | 68.1 | -169.7 | 0 | 112.5 | Q16 C18 P101 L102 L103 D108 E109 | Q16-R105 PolarHBondContact O-NH1 2.95Å; C18-R105 PolarHBondContact O-NH2 3.37Å; P101-R105 PolarHBondContact O-N 3.48Å; P101-R105 VanDerWaalsContact O-N 3.1Å; L102-R105 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 2.84Å; R105-D108 PolarHBondContact O-N 3.47Å; R105-E109 WeakPolarHBondContact O-CB 3.38Å; R105-E109 PolarHBondContact O-N 3.5Å |
| 106 | A | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I20 L71 V75 L102 L103 A104 L110 | I20-A106 HydrophobicContact CD1-CB 4.23Å; L71-A106 HydrophobicContact CD1-CB 4.39Å; L71-A106 HydrophobicContact CD2-CB 4.22Å; V75-A106 HydrophobicContact CG2-CB 4.37Å; L102-A106 PolarHBondContact O-N 3.38Å; L102-A106 VanDerWaalsContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 2.95Å; L103-A106 VanDerWaalsContact O-N 3.14Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 3.13Å; A106-L110 WeakPolarHBondContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CD1 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.34Å; A106-L110 PolarHBondContact O-N 2.93Å |
| 107 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 174.8 | -71.9 | 166.4 | 0 | 0 | 0 | 111.6 | V75 I79 L103 A104 L110 D111 L112 R113 F116 L189 | V75-L107 HydrophobicContact CG1-CD2 3.53Å; V75-L107 HydrophobicContact CG1-CG 4.43Å; I79-L107 HydrophobicContact CD1-CD2 4.03Å; L103-L107 HydrophobicContact CD1-CD1 4.32Å; L103-L107 HydrophobicContact CD1-CG 4.26Å; L103-L107 HydrophobicContact CG-CD1 3.9Å; L103-L107 HydrophobicContact CG-CG 4.31Å; L103-L107 WeakPolarHBondContact O-CB 3.38Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.3Å; A104-L107 WeakPolarHBondContact O-CB 3.4Å; A104-L107 PolarHBondContact O-N 2.97Å; L107-L110 PolarHBondContact O-N 3.27Å; L107-D111 PolarHBondContact O-N 3.28Å; L107-L112 HydrophobicContact CD2-CB 3.85Å; L107-L112 PolarHBondContact O-N 2.73Å; L107-R113 HydrophobicContact CB-CB 4.2Å; L107-F116 HydrophobicContact CD1-CB 3.77Å; L107-F116 HydrophobicContact CD1-CD1 3.73Å; L107-F116 HydrophobicContact CD1-CD2 4.13Å; L107-F116 HydrophobicContact CD1-CE1 4.38Å; L107-F116 HydrophobicContact CD1-CG 3.59Å; L107-F116 HydrophobicContact CD2-CB 3.61Å; L107-F116 HydrophobicContact CD2-CD2 4.41Å; L107-F116 HydrophobicContact CD2-CG 4.13Å; L107-F116 HydrophobicContact CG-CB 4.36Å; L107-L189 HydrophobicContact CD1-CD1 3.62Å |
| 108 | D | 97.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 44 Ų | 44 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 177.7 | -67.1 | -26.1 | 0 | 0 | 0 | 111.3 | A104 R105 L110 D111 R113 | A104-D108 WeakPolarHBondContact O-CB 3.28Å; A104-D108 VanDerWaalsContact O-CG 3.25Å; A104-D108 PolarHBondContact O-N 3.1Å; R105-D108 PolarHBondContact O-N 3.47Å; D108-L110 PolarHBondContact O-N 2.83Å; D108-D111 PolarHBondContact O-N 3.12Å; D108-R113 WeakPolarHBondContact OD1-CD 3.4Å; D108-R113 IonicContact OD1-NH1 3.68Å; D108-R113 PolarHBondContact OD1-NH1 3.03Å; D108-R113 IonicContact OD2-NH1 2.84Å; D108-R113 PolarHBondContact OD2-NH1 3.12Å |
| 109 | E | 97.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -31.1 | 174.9 | -177.5 | -177.9 | 157.6 | 0 | 0 | 112.1 | R39 R105 | R39-E109 IonicContact CZ-OE1 3.92Å; R39-E109 IonicContact NH1-OE1 2.95Å; R39-E109 PolarHBondContact NH1-OE1 2.92Å; R39-E109 IonicContact NH2-OE1 3.35Å; R39-E109 PolarHBondContact NH2-OE1 3.25Å; R39-E109 IonicContact NH2-OE2 3.31Å; R39-E109 PolarHBondContact NH2-OE2 3.3Å; R105-E109 WeakPolarHBondContact O-CB 3.38Å; R105-E109 PolarHBondContact O-N 3.5Å |
| 110 | L | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -101.6 | -4 | -173.1 | -66 | 174.4 | 0 | 0 | 0 | 114.7 | L71 R72 V75 A106 L107 D108 L112 | L71-L110 HydrophobicContact CG-CD1 4.17Å; R72-L110 HydrophobicContact CB-CD1 4.32Å; R72-L110 HydrophobicContact CB-CD2 3.87Å; R72-L110 HydrophobicContact CG-CD2 4.37Å; R72-L110 PolarHBondContact NH1-O 3.04Å; R72-L110 PolarHBondContact NH2-O 3.04Å; V75-L110 HydrophobicContact CB-CD1 3.89Å; V75-L110 HydrophobicContact CG1-CD1 4.26Å; V75-L110 HydrophobicContact CG2-CD1 3.85Å; A106-L110 WeakPolarHBondContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CD1 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.34Å; A106-L110 PolarHBondContact O-N 2.93Å; L107-L110 PolarHBondContact O-N 3.27Å; D108-L110 PolarHBondContact O-N 2.83Å; L110-L112 HydrophobicContact CB-CB 4.4Å; L110-L112 HydrophobicContact CB-CD1 3.74Å; L110-L112 HydrophobicContact CB-CG 3.85Å; L110-L112 HydrophobicContact CD1-CD1 4.03Å |
| 111 | D | 98.4 | Very high | 97.7 | Very high | 152 Ų | 152 | 45 Ų | 45 | 81% | 0.813 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 44.4 | -171.4 | -164.3 | 34.7 | 0 | 0 | 0 | 112.7 | L107 D108 | L107-D111 PolarHBondContact O-N 3.28Å; D108-D111 PolarHBondContact O-N 3.12Å |
| 112 | L | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | trans | -117.4 | 1.2 | -176 | -66 | 177.2 | 0 | 0 | 0 | 113.8 | V75 V76 I79 L107 L110 A114 Q115 F116 | V75-L112 HydrophobicContact CB-CD1 4.23Å; V75-L112 HydrophobicContact CG1-CB 4.44Å; V75-L112 HydrophobicContact CG1-CD1 3.67Å; V76-L112 HydrophobicContact CG2-CD1 3.8Å; I79-L112 HydrophobicContact CD1-CB 4.02Å; I79-L112 HydrophobicContact CD1-CD1 4.43Å; L107-L112 HydrophobicContact CD2-CB 3.85Å; L107-L112 PolarHBondContact O-N 2.73Å; L110-L112 HydrophobicContact CB-CB 4.4Å; L110-L112 HydrophobicContact CB-CD1 3.74Å; L110-L112 HydrophobicContact CB-CG 3.85Å; L110-L112 HydrophobicContact CD1-CD1 4.03Å; L112-A114 PolarHBondContact O-N 3.1Å; L112-Q115 WeakPolarHBondContact O-CB 3.44Å; L112-Q115 PolarHBondContact O-N 2.95Å; L112-F116 PolarHBondContact O-N 2.88Å | ||
| 113 | R | 97.9 | Very high | 97.8 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.1 | -52.1 | -175.1 | 179.4 | 161.4 | -177.7 | 162 | -1.3 | 113.4 | L107 D108 Q115 F116 E117 D190 | L107-R113 HydrophobicContact CB-CB 4.2Å; D108-R113 WeakPolarHBondContact OD1-CD 3.4Å; D108-R113 IonicContact OD1-NH1 3.68Å; D108-R113 PolarHBondContact OD1-NH1 3.03Å; D108-R113 IonicContact OD2-NH1 2.84Å; D108-R113 PolarHBondContact OD2-NH1 3.12Å; R113-Q115 PolarHBondContact O-N 2.63Å; R113-F116 WeakPolarHBondContact O-CB 3.06Å; R113-F116 PolarHBondContact O-N 3.32Å; R113-F116 VanDerWaalsContact O-N 3.1Å; R113-E117 HydrophobicContact CG-CG 4.38Å; R113-E117 WeakPolarHBondContact CG-OE1 3.42Å; R113-E117 IonicContact CZ-OE1 3.73Å; R113-E117 IonicContact NE-OE1 3.32Å; R113-E117 PolarHBondContact NE-OE1 3.13Å; R113-E117 IonicContact NH2-OE1 3.57Å; R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 3.47Å; R113-D190 IonicContact CZ-OD1 2.79Å; R113-D190 IonicContact NE-OD1 3.32Å; R113-D190 IonicContact NH2-OD1 2.77Å; R113-D190 PolarHBondContact NH2-OD1 3.33Å |
| 114 | A | 97.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 G118 | L112-A114 PolarHBondContact O-N 3.1Å; A114-G118 PolarHBondContact O-N 3.01Å |
| 115 | Q | 98.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 42 Ų | 42 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.6 | -42.5 | 176.9 | -163.8 | -172.7 | 21.2 | 0 | 0 | 111.4 | I79 L112 R113 S119 | I79-Q115 HydrophobicContact CD1-CB 4.44Å; I79-Q115 HydrophobicContact CG2-CG 3.88Å; L112-Q115 WeakPolarHBondContact O-CB 3.44Å; L112-Q115 PolarHBondContact O-N 2.95Å; R113-Q115 PolarHBondContact O-N 2.63Å; Q115-S119 WeakPolarHBondContact O-CB 3.34Å; Q115-S119 PolarHBondContact O-N 3.16Å; Q115-S119 PolarHBondContact O-OG 3.41Å |
| 116 | F | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 175.3 | 174.7 | -91.3 | 0 | 0 | 0 | 111.8 | F78 I79 L82 L103 L107 L112 R113 G118 S119 V120 L189 | F78-F116 HydrophobicContact CD1-CE2 4.26Å; F78-F116 AromaticContact CE1-CE2 3.78Å; F78-F116 HydrophobicContact CE1-CE2 3.78Å; I79-F116 HydrophobicContact CD1-CB 4.09Å; I79-F116 HydrophobicContact CG1-CB 4.14Å; I79-F116 HydrophobicContact CG1-CD2 4.16Å; L82-F116 HydrophobicContact CD1-CD2 3.89Å; L82-F116 HydrophobicContact CD1-CE2 3.57Å; L103-F116 HydrophobicContact CD2-CE2 3.84Å; L103-F116 HydrophobicContact CD2-CZ 3.86Å; L107-F116 HydrophobicContact CD1-CB 3.77Å; L107-F116 HydrophobicContact CD1-CD1 3.73Å; L107-F116 HydrophobicContact CD1-CD2 4.13Å; L107-F116 HydrophobicContact CD1-CE1 4.38Å; L107-F116 HydrophobicContact CD1-CG 3.59Å; L107-F116 HydrophobicContact CD2-CB 3.61Å; L107-F116 HydrophobicContact CD2-CD2 4.41Å; L107-F116 HydrophobicContact CD2-CG 4.13Å; L107-F116 HydrophobicContact CG-CB 4.36Å; L112-F116 PolarHBondContact O-N 2.88Å; R113-F116 WeakPolarHBondContact O-CB 3.06Å; R113-F116 PolarHBondContact O-N 3.32Å; R113-F116 VanDerWaalsContact O-N 3.1Å; F116-G118 VanDerWaalsContact C-N 3.3Å; F116-G118 PolarHBondContact O-N 2.91Å; F116-S119 CarbonylContact O-C 3.36Å; F116-S119 WeakPolarHBondContact O-CA 3.45Å; F116-S119 WeakPolarHBondContact O-CB 3.29Å; F116-S119 PolarHBondContact O-N 3.41Å; F116-V120 HydrophobicContact CD1-CG2 4.49Å; F116-V120 HydrophobicContact CE1-CG1 4.42Å; F116-V120 HydrophobicContact CE1-CG2 4.09Å; F116-V120 HydrophobicContact CE2-CG1 4.23Å; F116-V120 HydrophobicContact CZ-CG1 4.07Å; F116-V120 HydrophobicContact CZ-CG2 4.49Å; F116-V120 PolarHBondContact O-N 3.47Å; F116-L189 HydrophobicContact CD1-CD1 3.63Å; F116-L189 HydrophobicContact CD1-CG 4.41Å; F116-L189 HydrophobicContact CE1-CD1 3.61Å; F116-L189 HydrophobicContact CE1-CD2 4.49Å; F116-L189 HydrophobicContact CE1-CG 4.02Å |
| 117 | E | 97.4 | Very high | 98 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | -179.8 | -72.5 | 169.2 | 172.6 | 0 | 0 | 111.9 | R113 S119 V120 | R113-E117 HydrophobicContact CG-CG 4.38Å; R113-E117 WeakPolarHBondContact CG-OE1 3.42Å; R113-E117 IonicContact CZ-OE1 3.73Å; R113-E117 IonicContact NE-OE1 3.32Å; R113-E117 PolarHBondContact NE-OE1 3.13Å; R113-E117 IonicContact NH2-OE1 3.57Å; R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 3.47Å; E117-S119 PolarHBondContact O-N 3.37Å; E117-V120 PolarHBondContact O-N 3.07Å |
| 118 | G | 97.7 | Very high | 97.9 | Very high | 44 Ų | 44 | 41 Ų | 41 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -20.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R87 A114 F116 | R87-G118 WeakPolarHBondContact CD-O 3.17Å; R87-G118 PolarHBondContact NE-O 3.4Å; A114-G118 PolarHBondContact O-N 3.01Å; F116-G118 VanDerWaalsContact C-N 3.3Å; F116-G118 PolarHBondContact O-N 2.91Å |
| 119 | S | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 1.6 | -175.7 | -55.4 | 0 | 0 | 0 | 0 | 114.1 | Q83 R87 Q115 F116 E117 | Q83-S119 WeakPolarHBondContact CG-OG 3.42Å; Q83-S119 PolarHBondContact NE2-OG 2.86Å; R87-S119 WeakPolarHBondContact CA-O 3.44Å; Q115-S119 WeakPolarHBondContact O-CB 3.34Å; Q115-S119 PolarHBondContact O-N 3.16Å; Q115-S119 PolarHBondContact O-OG 3.41Å; F116-S119 CarbonylContact O-C 3.36Å; F116-S119 WeakPolarHBondContact O-CA 3.45Å; F116-S119 WeakPolarHBondContact O-CB 3.29Å; F116-S119 PolarHBondContact O-N 3.41Å; E117-S119 PolarHBondContact O-N 3.37Å |
| 120 | V | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -133.3 | 163.6 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L82 R87 P88 V90 F116 E117 | L82-V120 HydrophobicContact CD1-CG1 3.74Å; L82-V120 HydrophobicContact CD2-CG1 4.37Å; L82-V120 HydrophobicContact CG-CG1 4.44Å; R87-V120 PolarHBondContact NH2-O 2.85Å; P88-V120 WeakPolarHBondContact O-CA 3.48Å; V90-V120 HydrophobicContact CG2-CB 4.38Å; V90-V120 HydrophobicContact CG2-CG1 3.59Å; F116-V120 HydrophobicContact CD1-CG2 4.49Å; F116-V120 HydrophobicContact CE1-CG1 4.42Å; F116-V120 HydrophobicContact CE1-CG2 4.09Å; F116-V120 HydrophobicContact CE2-CG1 4.23Å; F116-V120 HydrophobicContact CZ-CG1 4.07Å; F116-V120 HydrophobicContact CZ-CG2 4.49Å; F116-V120 PolarHBondContact O-N 3.47Å; E117-V120 PolarHBondContact O-N 3.07Å | ||
| 121 | L | 97.1 | Very high | 98 | Very high | 60 Ų | 60 | 38 Ų | 38 | 31% | 0.314 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -90.7 | -24.9 | 166.2 | -72.2 | 166.1 | 0 | 0 | 0 | 112.5 | H2 R87 P88 L89 | H2-L121 HydrophobicContact CB-CD1 3.66Å; H2-L121 WeakPolarHBondContact ND1-CD1 3.13Å; R87-L121 HydrophobicContact CB-CG 4.45Å; R87-L121 WeakPolarHBondContact O-CD1 3.22Å; R87-L121 WeakPolarHBondContact O-CG 3.34Å; P88-L121 PolarHBondContact O-N 3.25Å; L89-L121 HydrophobicContact CD2-CB 3.83Å; L89-L121 HydrophobicContact CG-CB 4.39Å |
| 122 | G | 97.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V90 | V90-G122 PolarHBondContact N-O 3.38Å |
| 123 | C | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 152.2 | 176.8 | -58.9 | 0 | 0 | 0 | 0 | 110 | V90 I95 M186 F187 | V90-C123 CarbonylContact O-C 3.56Å; V90-C123 WeakPolarHBondContact O-CA 3.35Å; I95-C123 HydrophobicContact CD1-CB 4.33Å; C123-M186 CarbonylContact O-C 3.52Å; C123-M186 VanDerWaalsContact O-CA 3.23Å; C123-M186 WeakPolarHBondContact O-CA 3.23Å; C123-F187 HydrophobicContact CB-CD1 3.95Å; C123-F187 HydrophobicContact CB-CD2 4.08Å; C123-F187 HydrophobicContact CB-CE1 3.49Å; C123-F187 VanDerWaalsContact CB-CE1 3.49Å; C123-F187 HydrophobicContact CB-CE2 3.62Å; C123-F187 HydrophobicContact CB-CG 4.23Å; C123-F187 HydrophobicContact CB-CZ 3.31Å; C123-F187 PolarHBondContact N-O 3.1Å; C123-F187 WeakPolarHBondContact O-CD1 3.41Å; C123-F187 PolarHBondContact O-N 2.77Å |
| 124 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 120.3 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | L89 V90 V91 G92 I95 L129 V182 H185 M186 | L89-V124 HydrophobicContact CD2-CG2 4.5Å; V90-V124 PolarHBondContact O-N 3.12Å; V91-V124 HydrophobicContact CG1-CB 4.45Å; V91-V124 HydrophobicContact CG2-CB 4.28Å; G92-V124 PolarHBondContact N-O 3.26Å; G92-V124 VanDerWaalsContact N-O 3.17Å; I95-V124 WeakPolarHBondContact CD1-O 3.13Å; V124-L129 HydrophobicContact CG1-CD1 4.04Å; V124-V182 HydrophobicContact CG1-CG1 4.45Å; V124-V182 HydrophobicContact CG2-CG1 3.87Å; V124-H185 HydrophobicContact CG1-CB 4.46Å; V124-M186 HydrophobicContact CG2-CG 3.66Å |
| 125 | D | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.2 | 173.9 | -164.6 | -29.3 | 0 | 0 | 0 | 110.3 | N94 I95 R96 L127 P128 F187 | N94-D125 VanDerWaalsContact CA-OD1 3.24Å; N94-D125 WeakPolarHBondContact CA-OD1 3.25Å; N94-D125 VanDerWaalsContact CA-OD2 3.29Å; N94-D125 WeakPolarHBondContact CA-OD2 3.33Å; N94-D125 PolarHBondContact N-OD1 2.77Å; I95-D125 HydrophobicContact CG1-CB 4.22Å; I95-D125 PolarHBondContact N-OD2 3.18Å; R96-D125 HydrophobicContact CB-CB 4.1Å; R96-D125 VanDerWaalsContact CB-OD2 3.26Å; R96-D125 WeakPolarHBondContact CB-OD2 3.4Å; R96-D125 PolarHBondContact N-OD2 2.83Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.17Å; D125-L127 WeakPolarHBondContact OD1-CB 3.47Å; D125-L127 PolarHBondContact OD1-N 2.88Å; D125-P128 HydrophobicContact CB-CG 4.03Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å; D125-P128 WeakPolarHBondContact OD1-CD 3.4Å; D125-F187 HydrophobicContact CB-CE1 4.04Å |
| 126 | T | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.1 | -14.6 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | V91 G92 H93 A130 L168 F172 | V91-T126 HydrophobicContact CG1-CG2 3.37Å; G92-T126 WeakPolarHBondContact O-CB 3.43Å; G92-T126 WeakPolarHBondContact O-CG2 3.39Å; G92-T126 PolarHBondContact O-N 3.49Å; G92-T126 PolarHBondContact O-OG1 2.93Å; H93-T126 VanDerWaalsContact CA-OG1 3.25Å; H93-T126 WeakPolarHBondContact CA-OG1 3.26Å; H93-T126 WeakPolarHBondContact CB-OG1 3.44Å; H93-T126 PolarHBondContact ND1-OG1 2.83Å; T126-A130 WeakPolarHBondContact O-CB 3.16Å; T126-A130 PolarHBondContact O-N 2.81Å; T126-L168 HydrophobicContact CG2-CD1 4.22Å; T126-F172 HydrophobicContact CG2-CD2 3.79Å; T126-F172 HydrophobicContact CG2-CE2 4.09Å |
| 127 | L | 98.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -57.1 | 177.4 | 174.6 | 61.8 | 0 | 0 | 0 | 112.4 | N94 D125 L129 A130 R131 F142 | N94-L127 HydrophobicContact CB-CB 4.29Å; N94-L127 HydrophobicContact CB-CD2 3.86Å; N94-L127 WeakPolarHBondContact OD1-CD2 3.4Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.17Å; D125-L127 WeakPolarHBondContact OD1-CB 3.47Å; D125-L127 PolarHBondContact OD1-N 2.88Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.06Å; L127-A130 PolarHBondContact O-N 3.35Å; L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.26Å; L127-R131 VanDerWaalsContact O-N 3.11Å; L127-F142 HydrophobicContact CD1-CB 3.61Å; L127-F142 WeakPolarHBondContact CD1-O 3.5Å |
| 128 | P | 97.4 | Very high | 96.4 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 31% | 0.312 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -33.4 | 175.5 | 27.4 | -34.8 | 0 | 0 | 0 | 112.2 | D125 R131 E132 | D125-P128 HydrophobicContact CB-CG 4.03Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å; D125-P128 WeakPolarHBondContact OD1-CD 3.4Å; P128-R131 WeakPolarHBondContact O-CB 3.32Å; P128-R131 PolarHBondContact O-N 2.83Å; P128-E132 PolarHBondContact O-N 3.48Å |
| 129 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.1 | -179.4 | 154.5 | 0 | 0 | 0 | 111.9 | V124 L127 R131 E132 L133 F172 L175 P177 V181 V182 H185 | V124-L129 HydrophobicContact CG1-CD1 4.04Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.06Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-E132 PolarHBondContact O-N 2.8Å; L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.33Å; L129-L133 WeakPolarHBondContact O-CG 3.29Å; L129-L133 PolarHBondContact O-N 3.26Å; L129-L133 VanDerWaalsContact O-N 3.07Å; L129-F172 HydrophobicContact CD1-CE2 4.29Å; L129-L175 HydrophobicContact CD2-CD1 4.49Å; L129-P177 HydrophobicContact CD1-CB 4.21Å; L129-P177 HydrophobicContact CD1-CG 4.47Å; L129-P177 HydrophobicContact CD2-CB 4.2Å; L129-P177 HydrophobicContact CD2-CG 4.45Å; L129-V181 HydrophobicContact CD1-CG1 4.2Å; L129-V181 HydrophobicContact CG-CG1 3.89Å; L129-V182 HydrophobicContact CD1-CG2 4.45Å; L129-H185 HydrophobicContact CB-CB 4.17Å; L129-H185 HydrophobicContact CD1-CB 4.42Å |
| 130 | A | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T126 L127 E132 L133 L134 F142 L147 L175 | T126-A130 WeakPolarHBondContact O-CB 3.16Å; T126-A130 PolarHBondContact O-N 2.81Å; L127-A130 PolarHBondContact O-N 3.35Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 3.31Å; A130-L133 PolarHBondContact O-N 3.25Å; A130-L134 HydrophobicContact CB-CD1 4.44Å; A130-L134 WeakPolarHBondContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.3Å; A130-L134 PolarHBondContact O-N 2.82Å; A130-F142 HydrophobicContact CB-CD1 4.24Å; A130-F142 WeakPolarHBondContact O-CE1 3.46Å; A130-L147 HydrophobicContact CB-CD1 3.77Å; A130-L175 HydrophobicContact CB-CD1 4.3Å |
| 131 | R | 97.4 | Very high | 95.6 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 53% | 0.525 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 173.8 | -74.2 | 176.5 | 177.1 | 176 | 1.1 | 112.5 | L127 P128 L129 R135 F142 | L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.26Å; L127-R131 VanDerWaalsContact O-N 3.11Å; P128-R131 WeakPolarHBondContact O-CB 3.32Å; P128-R131 PolarHBondContact O-N 2.83Å; L129-R131 VanDerWaalsContact C-N 3.31Å; L129-R131 PolarHBondContact O-N 2.96Å; R131-R135 WeakPolarHBondContact O-CA 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.24Å; R131-R135 PolarHBondContact O-N 3.31Å; R131-R135 VanDerWaalsContact O-N 3.15Å; R131-F142 VanDerWaalsContact CA-CE1 3.44Å; R131-F142 HydrophobicContact CB-CD1 4.35Å; R131-F142 HydrophobicContact CB-CE1 4.26Å; R131-F142 HydrophobicContact CG-CB 4.16Å; R131-F142 HydrophobicContact CG-CD1 3.62Å; R131-F142 HydrophobicContact CG-CD2 3.96Å; R131-F142 HydrophobicContact CG-CE1 3.92Å; R131-F142 HydrophobicContact CG-CE2 4.25Å; R131-F142 HydrophobicContact CG-CG 3.63Å; R131-F142 HydrophobicContact CG-CZ 4.23Å |
| 132 | E | 96.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 57 Ų | 57 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -51.3 | 176.1 | -175.9 | -177.3 | 142.7 | 0 | 0 | 111.4 | P128 L129 A130 L134 R184 H185 | P128-E132 PolarHBondContact O-N 3.48Å; L129-E132 PolarHBondContact O-N 2.8Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 3.31Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 2.8Å; E132-R184 IonicContact OE1-CZ 3.88Å; E132-R184 IonicContact OE1-NE 2.69Å; E132-R184 PolarHBondContact OE1-NE 2.97Å; E132-R184 IonicContact OE1-NH2 3.86Å; E132-R184 PolarHBondContact OE1-NH2 2.92Å; E132-R184 IonicContact OE2-NE 2.77Å; E132-H185 IonicContact OE2-CD2 3.37Å; E132-H185 IonicContact OE2-CE1 3.72Å; E132-H185 IonicContact OE2-NE2 3.43Å; E132-H185 PolarHBondContact OE2-NE2 3.21Å |
| 133 | L | 96.8 | Very high | 95.5 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.1 | -31 | -174.8 | -69.7 | -178.7 | 0 | 0 | 0 | 113.9 | L129 A130 L175 P177 V181 | L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.33Å; L129-L133 WeakPolarHBondContact O-CG 3.29Å; L129-L133 PolarHBondContact O-N 3.26Å; L129-L133 VanDerWaalsContact O-N 3.07Å; A130-L133 PolarHBondContact O-N 3.25Å; L133-L175 HydrophobicContact CD1-CB 4.06Å; L133-P177 HydrophobicContact CD1-CB 4.05Å; L133-V181 HydrophobicContact CD2-CG1 4.07Å; L133-V181 HydrophobicContact CD2-CG2 4.15Å; L133-V181 HydrophobicContact CG-CG1 4.29Å |
| 134 | L | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 15.4 | -172.6 | -51.9 | 166.8 | 0 | 0 | 0 | 112.4 | A130 E132 D136 R137 L139 F142 L147 L151 L175 | A130-L134 HydrophobicContact CB-CD1 4.44Å; A130-L134 WeakPolarHBondContact O-CB 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.3Å; A130-L134 PolarHBondContact O-N 2.82Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 2.8Å; L134-D136 PolarHBondContact O-N 3.25Å; L134-R137 HydrophobicContact CB-CB 4.27Å; L134-R137 HydrophobicContact CB-CG 3.99Å; L134-R137 HydrophobicContact CD2-CG 3.95Å; L134-R137 WeakPolarHBondContact O-CB 3.25Å; L134-R137 PolarHBondContact O-N 3.44Å; L134-L139 HydrophobicContact CB-CD1 4.09Å; L134-L139 HydrophobicContact CD1-CD1 3.78Å; L134-F142 HydrophobicContact CB-CE1 3.95Å; L134-F142 HydrophobicContact CB-CZ 4.43Å; L134-F142 HydrophobicContact CD1-CE1 4.28Å; L134-L147 HydrophobicContact CD1-CD2 3.84Å; L134-L151 HydrophobicContact CD1-CD1 3.73Å; L134-L151 HydrophobicContact CD2-CD1 4.34Å; L134-L175 HydrophobicContact CD1-CD2 3.93Å; L134-L175 HydrophobicContact CD2-CD2 3.96Å; L134-L175 HydrophobicContact CG-CD2 4.14Å |
| 135 | R | 92.3 | Very high | 95.4 | Very high | 183 Ų | 183 | 63.4 Ų | 63.4 | 69% | 0.691 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -52.1 | -33.7 | -178.9 | 70.6 | -173.2 | -171.1 | -176.3 | -0.8 | 113.2 | R131 | R131-R135 WeakPolarHBondContact O-CA 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.24Å; R131-R135 PolarHBondContact O-N 3.31Å; R131-R135 VanDerWaalsContact O-N 3.15Å |
| 136 | D | 92.8 | Very high | 95.3 | Very high | 137 Ų | 137 | 64.5 Ų | 64.5 | 73% | 0.733 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -92.4 | 4.4 | -175.9 | -58.1 | -49.3 | 0 | 0 | 0 | 113.2 | L134 | L134-D136 PolarHBondContact O-N 3.25Š|
| 137 | R | 90.1 | Very high | 95.3 | Very high | 167 Ų | 167 | 64.3 Ų | 64.3 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -92.5 | -4.1 | -176 | -64.4 | -101.3 | -154.1 | -136.8 | 2.7 | 114.3 | L134 L139 | L134-R137 HydrophobicContact CB-CB 4.27Å; L134-R137 HydrophobicContact CB-CG 3.99Å; L134-R137 HydrophobicContact CD2-CG 3.95Å; L134-R137 WeakPolarHBondContact O-CB 3.25Å; L134-R137 PolarHBondContact O-N 3.44Å; R137-L139 HydrophobicContact CB-CD1 4.42Å; R137-L139 HydrophobicContact CB-CG 4.07Å; R137-L139 PolarHBondContact O-N 2.79Å |
| 138 | G | 89.2 | Confident | 95.3 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 60% | 0.598 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 21.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q140 | G138-Q140 PolarHBondContact O-NE2 3.32Å; G138-Q140 VanDerWaalsContact O-NE2 3.14Å |
| 139 | L | 92.7 | Very high | 95.2 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | trans | -67.3 | 135.9 | -179.5 | -65.1 | 175.3 | 0 | 0 | 0 | 111.5 | L134 R137 F142 L147 E150 | L134-L139 HydrophobicContact CB-CD1 4.09Å; L134-L139 HydrophobicContact CD1-CD1 3.78Å; R137-L139 HydrophobicContact CB-CD1 4.42Å; R137-L139 HydrophobicContact CB-CG 4.07Å; R137-L139 PolarHBondContact O-N 2.79Å; L139-F142 HydrophobicContact CB-CE2 4.23Å; L139-F142 HydrophobicContact CB-CZ 4.21Å; L139-F142 HydrophobicContact CD1-CE1 4.37Å; L139-F142 HydrophobicContact CD1-CZ 4.5Å; L139-L147 HydrophobicContact CD1-CD2 3.78Å; L139-E150 HydrophobicContact CD2-CB 4.36Å | ||
| 140 | Q | 88.4 | Confident | 95.1 | Very high | 185 Ų | 185 | 70.7 Ų | 70.7 | 86% | 0.864 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -84.1 | -22.2 | -179.4 | -59 | -57.1 | -56.4 | 0 | 0 | 113.3 | G138 | G138-Q140 PolarHBondContact O-NE2 3.32Å; G138-Q140 VanDerWaalsContact O-NE2 3.14Å |
| 141 | S | 95 | Very high | 95.1 | Very high | 52 Ų | 52 | 72.2 Ų | 72.2 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -143.4 | 141.9 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | G143 N146 | S141-G143 PolarHBondContact OG-N 3.41Å; S141-N146 PolarHBondContact O-ND2 2.83Å | ||
| 142 | F | 97.4 | Very high | 95 | Very high | 36 Ų | 36 | 67.5 Ų | 67.5 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | trans | -110.8 | 11.6 | 177.3 | -75.1 | -94.7 | 0 | 0 | 0 | 112.5 | H93 L127 A130 R131 L134 L139 L147 | H93-F142 PolarHBondContact CE1-O 3.37Å; H93-F142 VanDerWaalsContact CE1-O 3.26Å; H93-F142 PolarHBondContact NE2-O 3.16Å; L127-F142 HydrophobicContact CD1-CB 3.61Å; L127-F142 WeakPolarHBondContact CD1-O 3.5Å; A130-F142 HydrophobicContact CB-CD1 4.24Å; A130-F142 WeakPolarHBondContact O-CE1 3.46Å; R131-F142 VanDerWaalsContact CA-CE1 3.44Å; R131-F142 HydrophobicContact CB-CD1 4.35Å; R131-F142 HydrophobicContact CB-CE1 4.26Å; R131-F142 HydrophobicContact CG-CB 4.16Å; R131-F142 HydrophobicContact CG-CD1 3.62Å; R131-F142 HydrophobicContact CG-CD2 3.96Å; R131-F142 HydrophobicContact CG-CE1 3.92Å; R131-F142 HydrophobicContact CG-CE2 4.25Å; R131-F142 HydrophobicContact CG-CG 3.63Å; R131-F142 HydrophobicContact CG-CZ 4.23Å; L134-F142 HydrophobicContact CB-CE1 3.95Å; L134-F142 HydrophobicContact CB-CZ 4.43Å; L134-F142 HydrophobicContact CD1-CE1 4.28Å; L139-F142 HydrophobicContact CB-CE2 4.23Å; L139-F142 HydrophobicContact CB-CZ 4.21Å; L139-F142 HydrophobicContact CD1-CE1 4.37Å; L139-F142 HydrophobicContact CD1-CZ 4.5Å; F142-L147 HydrophobicContact CD1-CD2 4.09Å; F142-L147 WeakPolarHBondContact O-CD1 3.37Å | ||
| 143 | G | 96.6 | Very high | 95 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | trans | -61.9 | 142 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S141 E145 N146 L147 | S141-G143 PolarHBondContact OG-N 3.41Å; G143-E145 VanDerWaalsContact C-N 3.33Å; G143-E145 PolarHBondContact O-N 3.46Å; G143-N146 WeakPolarHBondContact O-CA 3.34Å; G143-N146 WeakPolarHBondContact O-CB 3.42Å; G143-N146 PolarHBondContact O-N 2.87Å; G143-L147 PolarHBondContact O-N 3.23Å | ||
| 144 | Q | 97.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -49.7 | -49.6 | -175.6 | -177.1 | 171.1 | -73.2 | 0 | 0 | 113.2 | H93 N146 L147 V148 Y156 D164 | H93-Q144 HydrophobicContact CB-CB 4.43Å; H93-Q144 VanDerWaalsContact CB-OE1 3.23Å; H93-Q144 PolarHBondContact NE2-N 3.3Å; Q144-N146 VanDerWaalsContact C-N 3.28Å; Q144-N146 PolarHBondContact O-N 3.17Å; Q144-L147 PolarHBondContact O-N 3.38Å; Q144-L147 VanDerWaalsContact O-N 3.13Å; Q144-V148 HydrophobicContact CG-CG2 4.2Å; Q144-V148 WeakPolarHBondContact O-CB 3.44Å; Q144-V148 VanDerWaalsContact O-CG2 3.28Å; Q144-V148 WeakPolarHBondContact O-CG2 3.1Å; Q144-V148 PolarHBondContact O-N 3.14Å; Q144-Y156 PolarHBondContact NE2-OH 2.63Å; Q144-D164 PolarHBondContact NE2-O 3.36Å; Q144-D164 PolarHBondContact NE2-OD1 2.91Å; Q144-D164 VanDerWaalsContact NE2-OD1 3.07Å |
| 145 | E | 96.5 | Very high | 94.7 | Very high | 92 Ų | 92 | 74.3 Ų | 74.3 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.4 | -43.8 | 178.4 | -169.4 | -164.3 | 158.6 | 0 | 0 | 111.8 | G143 V148 R149 A158 | G143-E145 VanDerWaalsContact C-N 3.33Å; G143-E145 PolarHBondContact O-N 3.46Å; E145-V148 PolarHBondContact O-N 2.95Å; E145-R149 WeakPolarHBondContact O-CB 3.17Å; E145-R149 PolarHBondContact O-N 3.19Å; E145-R149 IonicContact OE1-NH1 2.67Å; E145-A158 HydrophobicContact CG-CB 4.37Å |
| 146 | N | 96.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 67.5 Ų | 67.5 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.2 | -171.2 | 72.9 | 0 | 0 | 0 | 111.3 | S141 G143 Q144 V148 R149 E150 | S141-N146 PolarHBondContact O-ND2 2.83Å; G143-N146 WeakPolarHBondContact O-CA 3.34Å; G143-N146 WeakPolarHBondContact O-CB 3.42Å; G143-N146 PolarHBondContact O-N 2.87Å; Q144-N146 VanDerWaalsContact C-N 3.28Å; Q144-N146 PolarHBondContact O-N 3.17Å; N146-V148 PolarHBondContact O-N 3.43Å; N146-R149 PolarHBondContact O-N 3.25Å; N146-R149 PolarHBondContact OD1-NH2 3.14Å; N146-E150 WeakPolarHBondContact O-CB 3.13Å; N146-E150 VanDerWaalsContact O-CG 3.24Å; N146-E150 WeakPolarHBondContact O-CG 3.33Å; N146-E150 PolarHBondContact O-N 3.22Å |
| 147 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.6 | -68.4 | 178 | 0 | 0 | 0 | 111.9 | A130 L134 L139 F142 G143 Q144 L151 L171 | A130-L147 HydrophobicContact CB-CD1 3.77Å; L134-L147 HydrophobicContact CD1-CD2 3.84Å; L139-L147 HydrophobicContact CD1-CD2 3.78Å; F142-L147 HydrophobicContact CD1-CD2 4.09Å; F142-L147 WeakPolarHBondContact O-CD1 3.37Å; G143-L147 PolarHBondContact O-N 3.23Å; Q144-L147 PolarHBondContact O-N 3.38Å; Q144-L147 VanDerWaalsContact O-N 3.13Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.3Å; L147-L171 HydrophobicContact CB-CD1 4.17Å; L147-L171 HydrophobicContact CB-CD2 3.68Å; L147-L171 HydrophobicContact CD1-CD2 4.07Å |
| 148 | V | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | Q144 E145 N146 L152 G153 I154 Y156 A167 L171 | Q144-V148 HydrophobicContact CG-CG2 4.2Å; Q144-V148 WeakPolarHBondContact O-CB 3.44Å; Q144-V148 VanDerWaalsContact O-CG2 3.28Å; Q144-V148 WeakPolarHBondContact O-CG2 3.1Å; Q144-V148 PolarHBondContact O-N 3.14Å; E145-V148 PolarHBondContact O-N 2.95Å; N146-V148 PolarHBondContact O-N 3.43Å; V148-L152 HydrophobicContact CG1-CD1 4.25Å; V148-L152 WeakPolarHBondContact O-CA 3.39Å; V148-L152 WeakPolarHBondContact O-CB 3.36Å; V148-L152 PolarHBondContact O-N 3.1Å; V148-G153 PolarHBondContact O-N 2.98Å; V148-I154 HydrophobicContact CG1-CB 3.85Å; V148-I154 HydrophobicContact CG1-CG2 4.1Å; V148-Y156 HydrophobicContact CB-CD1 4.37Å; V148-Y156 HydrophobicContact CB-CE1 4.02Å; V148-Y156 HydrophobicContact CG1-CD1 3.78Å; V148-Y156 HydrophobicContact CG1-CE1 3.94Å; V148-Y156 HydrophobicContact CG2-CE1 4.09Å; V148-A167 HydrophobicContact CG1-CB 4.46Å; V148-A167 HydrophobicContact CG2-CB 4.06Å; V148-L171 HydrophobicContact CG2-CB 4.2Å; V148-L171 HydrophobicContact CG2-CD2 4.2Å |
| 149 | R | 96.5 | Very high | 94.3 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -53.5 | 177.4 | -178.3 | 178.1 | 62.2 | -131.3 | -1.8 | 112.4 | E145 N146 G153 I154 | E145-R149 WeakPolarHBondContact O-CB 3.17Å; E145-R149 PolarHBondContact O-N 3.19Å; E145-R149 IonicContact OE1-NH1 2.67Å; N146-R149 PolarHBondContact O-N 3.25Å; N146-R149 PolarHBondContact OD1-NH2 3.14Å; R149-G153 WeakPolarHBondContact O-CA 3.21Å; R149-G153 PolarHBondContact O-N 2.93Å; R149-I154 WeakPolarHBondContact CA-O 3.48Å |
| 150 | E | 95.8 | Very high | 94.4 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | -173.3 | -66.1 | -59.7 | 135.1 | 0 | 0 | 112.7 | L139 N146 | L139-E150 HydrophobicContact CD2-CB 4.36Å; N146-E150 WeakPolarHBondContact O-CB 3.13Å; N146-E150 VanDerWaalsContact O-CG 3.24Å; N146-E150 WeakPolarHBondContact O-CG 3.33Å; N146-E150 PolarHBondContact O-N 3.22Å |
| 151 | L | 96.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -97.4 | -31.5 | -174.7 | -57.7 | 179 | 0 | 0 | 0 | 113.6 | L134 L147 L171 F174 L175 | L134-L151 HydrophobicContact CD1-CD1 3.73Å; L134-L151 HydrophobicContact CD2-CD1 4.34Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 3.3Å; L151-L171 HydrophobicContact CD1-CD1 3.95Å; L151-F174 HydrophobicContact CB-CD1 4.17Å; L151-F174 HydrophobicContact CB-CE1 3.76Å; L151-F174 HydrophobicContact CB-CZ 4.31Å; L151-F174 HydrophobicContact CD1-CD1 4.49Å; L151-F174 HydrophobicContact CD1-CE1 4.31Å; L151-F174 HydrophobicContact CD2-CE1 4.47Å; L151-F174 HydrophobicContact CG-CE1 4.41Å; L151-L175 HydrophobicContact CD1-CD2 4.02Å |
| 152 | L | 96.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -109.7 | -13.5 | -176 | -48.8 | 177.8 | 0 | 0 | 0 | 113 | V148 I154 T170 L171 F174 | V148-L152 HydrophobicContact CG1-CD1 4.25Å; V148-L152 WeakPolarHBondContact O-CA 3.39Å; V148-L152 WeakPolarHBondContact O-CB 3.36Å; V148-L152 PolarHBondContact O-N 3.1Å; L152-I154 HydrophobicContact CB-CB 4.31Å; L152-I154 HydrophobicContact CB-CD1 3.82Å; L152-I154 HydrophobicContact CB-CG1 3.95Å; L152-I154 HydrophobicContact CD1-CD1 4.26Å; L152-I154 PolarHBondContact O-N 3.39Å; L152-T170 HydrophobicContact CD1-CG2 3.86Å; L152-L171 HydrophobicContact CD1-CB 4.32Å; L152-F174 HydrophobicContact CD2-CB 3.54Å; L152-F174 HydrophobicContact CD2-CD1 4.05Å; L152-F174 HydrophobicContact CD2-CD2 3.47Å; L152-F174 VanDerWaalsContact CD2-CD2 3.47Å; L152-F174 HydrophobicContact CD2-CE2 4.14Å; L152-F174 HydrophobicContact CD2-CG 3.41Å; L152-F174 VanDerWaalsContact CD2-CG 3.41Å |
| 153 | G | 95.9 | Very high | 95 | Very high | 63 Ų | 63 | 49.3 Ų | 49.3 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | trans | 66.7 | 19.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V148 R149 | V148-G153 PolarHBondContact O-N 2.98Å; R149-G153 WeakPolarHBondContact O-CA 3.21Å; R149-G153 PolarHBondContact O-N 2.93Å | ||
| 154 | I | 94.1 | Very high | 95 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -102.1 | 132.9 | -175.9 | -63.8 | 171 | 0 | 0 | 0 | 109.2 | V148 R149 L152 | V148-I154 HydrophobicContact CG1-CB 3.85Å; V148-I154 HydrophobicContact CG1-CG2 4.1Å; R149-I154 WeakPolarHBondContact CA-O 3.48Å; L152-I154 HydrophobicContact CB-CB 4.31Å; L152-I154 HydrophobicContact CB-CD1 3.82Å; L152-I154 HydrophobicContact CB-CG1 3.95Å; L152-I154 HydrophobicContact CD1-CD1 4.26Å; L152-I154 PolarHBondContact O-N 3.39Å | ||
| 155 | N | 92.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 66% | 0.663 | 25% | 0.245 | S | C | * | . | trans | -105.1 | 137.7 | 160.9 | -60.8 | -58.9 | 0 | 0 | 0 | 107.7 | ||||
| 156 | Y | 93.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | trans | -136.6 | 169.8 | 179.1 | 72.3 | -82.7 | 0 | 0 | 0 | 110 | Q144 V148 A158 E163 D164 A167 | Q144-Y156 PolarHBondContact NE2-OH 2.63Å; V148-Y156 HydrophobicContact CB-CD1 4.37Å; V148-Y156 HydrophobicContact CB-CE1 4.02Å; V148-Y156 HydrophobicContact CG1-CD1 3.78Å; V148-Y156 HydrophobicContact CG1-CE1 3.94Å; V148-Y156 HydrophobicContact CG2-CE1 4.09Å; Y156-A158 VanDerWaalsContact C-N 3.27Å; Y156-A158 HydrophobicContact CE2-CB 4.02Å; Y156-A158 PolarHBondContact O-N 2.96Å; Y156-E163 HydrophobicContact CD2-CB 4.06Å; Y156-D164 HydrophobicContact CE2-CB 4.4Å; Y156-D164 WeakPolarHBondContact CE2-OD1 3.34Å; Y156-D164 VanDerWaalsContact CZ-OD1 3.25Å; Y156-D164 PolarHBondContact OH-OD1 3.1Å; Y156-A167 HydrophobicContact CD1-CB 3.78Å; Y156-A167 HydrophobicContact CD2-CB 4.01Å; Y156-A167 HydrophobicContact CE1-CB 3.67Å; Y156-A167 HydrophobicContact CE2-CB 3.92Å; Y156-A167 HydrophobicContact CG-CB 3.95Å | ||
| 157 | K | 89.5 | Confident | 95.2 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | trans | -74.9 | 83.8 | 175.3 | -171.5 | -171.4 | -178.2 | -171.5 | 0 | 108.8 | D62 D160 E163 | D62-K157 IonicContact OD2-NZ 2.72Å; D62-K157 PolarHBondContact OD2-NZ 3.18Å; K157-D160 HydrophobicContact CD-CB 4.2Å; K157-D160 HydrophobicContact CG-CB 4.45Å; K157-D160 IonicContact NZ-OD2 2.93Å; K157-E163 HydrophobicContact CB-CG 4.39Å; K157-E163 WeakPolarHBondContact O-CB 3.17Å | ||
| 158 | A | 86.4 | Confident | 95.3 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | trans | -62.2 | 152 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E145 Y156 D160 | E145-A158 HydrophobicContact CG-CB 4.37Å; Y156-A158 VanDerWaalsContact C-N 3.27Å; Y156-A158 HydrophobicContact CE2-CB 4.02Å; Y156-A158 PolarHBondContact O-N 2.96Å; A158-D160 VanDerWaalsContact C-N 3.32Å | ||
| 159 | H | 86.9 | Confident | 95.3 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.375 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 69.1 | 32.4 | -174.1 | -46.5 | -64.3 | 0 | 0 | 0 | 113.2 | E10 V49 T50 D164 | E10-H159 WeakPolarHBondContact OE1-CA 3.49Å; V49-H159 HydrophobicContact CB-CB 4.33Å; V49-H159 HydrophobicContact CG2-CB 4.43Å; V49-H159 WeakPolarHBondContact O-CB 3.32Å; T50-H159 HydrophobicContact CG2-CB 4.26Å; H159-D164 WeakPolarHBondContact CA-OD2 3.41Å; H159-D164 PolarHBondContact N-OD2 2.98Å |
| 160 | D | 94.1 | Very high | 95.4 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | trans | -129.6 | 106.6 | 159.5 | -176.6 | -43.1 | 0 | 0 | 0 | 105.8 | E10 Q22 K157 A158 L162 E163 D164 | E10-D160 PolarHBondContact OE1-N 3.44Å; Q22-D160 PolarHBondContact NE2-OD1 3.35Å; Q22-D160 VanDerWaalsContact NE2-OD1 3.14Å; K157-D160 HydrophobicContact CD-CB 4.2Å; K157-D160 HydrophobicContact CG-CB 4.45Å; K157-D160 IonicContact NZ-OD2 2.93Å; A158-D160 VanDerWaalsContact C-N 3.32Å; D160-L162 PolarHBondContact O-N 2.86Å; D160-L162 PolarHBondContact OD1-N 3.28Å; D160-E163 HydrophobicContact CB-CB 4.25Å; D160-E163 HydrophobicContact CB-CG 4.21Å; D160-E163 WeakPolarHBondContact O-CA 3.48Å; D160-E163 PolarHBondContact O-N 3.21Å; D160-D164 PolarHBondContact N-OD2 2.96Å; D160-D164 PolarHBondContact O-N 2.96Å | ||
| 161 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -49.8 | -33 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | D8 E10 Q22 A24 V165 | D8-A161 HydrophobicContact CB-CB 4.08Å; D8-A161 WeakPolarHBondContact OD2-CA 3.49Å; D8-A161 WeakPolarHBondContact OD2-CB 3.48Å; E10-A161 HydrophobicContact CG-CB 4Å; E10-A161 PolarHBondContact OE1-N 3.48Å; Q22-A161 HydrophobicContact CB-CB 4.45Å; Q22-A161 HydrophobicContact CG-CB 4Å; A24-A161 HydrophobicContact CB-CB 3.65Å; A24-A161 WeakPolarHBondContact CB-O 3.13Å; A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 WeakPolarHBondContact O-CG2 3.47Å; A161-V165 PolarHBondContact O-N 3.26Å |
| 162 | L | 98.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.7 | -39.2 | 178.6 | -178.5 | 60.3 | 0 | 0 | 0 | 112.5 | A24 V26 N33 D160 V165 R166 | A24-L162 HydrophobicContact CB-CB 4.04Å; A24-L162 HydrophobicContact CB-CD1 4.43Å; V26-L162 HydrophobicContact CG1-CD1 3.93Å; N33-L162 HydrophobicContact CB-CD1 4.42Å; N33-L162 HydrophobicContact CB-CD2 4.04Å; D160-L162 PolarHBondContact O-N 2.86Å; D160-L162 PolarHBondContact OD1-N 3.28Å; L162-V165 HydrophobicContact CD1-CG2 4.35Å; L162-V165 VanDerWaalsContact O-CG2 3.32Å; L162-V165 WeakPolarHBondContact O-CG2 3.46Å; L162-R166 WeakPolarHBondContact O-CD 3.42Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 3.21Å |
| 163 | E | 98.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.1 | -38.1 | 176.1 | -62.4 | -56.8 | 118.4 | 0 | 0 | 110.9 | Y156 K157 D160 R166 A167 | Y156-E163 HydrophobicContact CD2-CB 4.06Å; K157-E163 HydrophobicContact CB-CG 4.39Å; K157-E163 WeakPolarHBondContact O-CB 3.17Å; D160-E163 HydrophobicContact CB-CB 4.25Å; D160-E163 HydrophobicContact CB-CG 4.21Å; D160-E163 WeakPolarHBondContact O-CA 3.48Å; D160-E163 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-N 2.77Å; E163-R166 IonicContact OE1-CZ 3.98Å; E163-R166 IonicContact OE1-NH1 3.77Å; E163-R166 PolarHBondContact OE1-NH1 3.49Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.97Å |
| 164 | D | 98 | Very high | 95.7 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 173.9 | -80.5 | -59 | 0 | 0 | 0 | 111.7 | D8 Q144 Y156 H159 D160 R166 A167 L168 | D8-D164 HydrophobicContact CB-CB 4.47Å; Q144-D164 PolarHBondContact NE2-O 3.36Å; Q144-D164 PolarHBondContact NE2-OD1 2.91Å; Q144-D164 VanDerWaalsContact NE2-OD1 3.07Å; Y156-D164 HydrophobicContact CE2-CB 4.4Å; Y156-D164 WeakPolarHBondContact CE2-OD1 3.34Å; Y156-D164 VanDerWaalsContact CZ-OD1 3.25Å; Y156-D164 PolarHBondContact OH-OD1 3.1Å; H159-D164 WeakPolarHBondContact CA-OD2 3.41Å; H159-D164 PolarHBondContact N-OD2 2.98Å; D160-D164 PolarHBondContact N-OD2 2.96Å; D160-D164 PolarHBondContact O-N 2.96Å; D164-R166 VanDerWaalsContact C-N 3.34Å; D164-R166 PolarHBondContact O-N 2.8Å; D164-A167 PolarHBondContact O-N 3.07Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 2.97Å |
| 165 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.5 | -28.5 | 179.4 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | F6 F7 D8 A24 V26 A161 L162 K169 | F6-V165 HydrophobicContact CB-CB 4.11Å; F7-V165 VanDerWaalsContact CA-CG1 3.46Å; D8-V165 HydrophobicContact CB-CG1 3.42Å; D8-V165 VanDerWaalsContact CB-CG1 3.42Å; D8-V165 VanDerWaalsContact N-CG1 3.31Å; A24-V165 HydrophobicContact CB-CG2 4.24Å; V26-V165 HydrophobicContact CB-CG2 4.19Å; V26-V165 HydrophobicContact CG1-CG2 3.63Å; V26-V165 HydrophobicContact CG2-CB 3.88Å; V26-V165 HydrophobicContact CG2-CG2 3.66Å; A161-V165 WeakPolarHBondContact O-CG1 3.48Å; A161-V165 WeakPolarHBondContact O-CG2 3.47Å; A161-V165 PolarHBondContact O-N 3.26Å; L162-V165 HydrophobicContact CD1-CG2 4.35Å; L162-V165 VanDerWaalsContact O-CG2 3.32Å; L162-V165 WeakPolarHBondContact O-CG2 3.46Å; V165-K169 VanDerWaalsContact O-CB 3.31Å; V165-K169 WeakPolarHBondContact O-CB 3.27Å; V165-K169 PolarHBondContact O-N 3.4Å |
| 166 | R | 98.5 | Very high | 96.1 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.2 | -44.2 | 173.5 | -76.4 | 169.9 | 173.9 | 161.2 | -0.2 | 111.1 | V26 L162 E163 D164 T170 | V26-R166 HydrophobicContact CG1-CG 4.31Å; L162-R166 WeakPolarHBondContact O-CD 3.42Å; L162-R166 WeakPolarHBondContact O-CG 3.43Å; L162-R166 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-N 2.77Å; E163-R166 IonicContact OE1-CZ 3.98Å; E163-R166 IonicContact OE1-NH1 3.77Å; E163-R166 PolarHBondContact OE1-NH1 3.49Å; D164-R166 VanDerWaalsContact C-N 3.34Å; D164-R166 PolarHBondContact O-N 2.8Å; R166-T170 PolarHBondContact O-N 3.07Å; R166-T170 PolarHBondContact O-OG1 3.11Å |
| 167 | A | 98.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V148 Y156 E163 D164 K169 T170 L171 | V148-A167 HydrophobicContact CG1-CB 4.46Å; V148-A167 HydrophobicContact CG2-CB 4.06Å; Y156-A167 HydrophobicContact CD1-CB 3.78Å; Y156-A167 HydrophobicContact CD2-CB 4.01Å; Y156-A167 HydrophobicContact CE1-CB 3.67Å; Y156-A167 HydrophobicContact CE2-CB 3.92Å; Y156-A167 HydrophobicContact CG-CB 3.95Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.97Å; D164-A167 PolarHBondContact O-N 3.07Å; A167-K169 PolarHBondContact O-N 3.15Å; A167-T170 WeakPolarHBondContact O-CB 3.04Å; A167-T170 PolarHBondContact O-N 3.48Å; A167-T170 VanDerWaalsContact O-N 3.16Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 3.38Å |
| 168 | L | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.9 | -175.1 | 56.9 | 0 | 0 | 0 | 112.7 | F6 G92 H93 T126 D164 T170 L171 F172 | F6-L168 HydrophobicContact CD1-CB 4.41Å; F6-L168 HydrophobicContact CD1-CD2 4.02Å; F6-L168 HydrophobicContact CD1-CG 3.84Å; F6-L168 HydrophobicContact CE1-CG 4.36Å; G92-L168 VanDerWaalsContact CA-CD2 3.48Å; H93-L168 HydrophobicContact CB-CD1 4.26Å; H93-L168 HydrophobicContact CB-CD2 4.13Å; T126-L168 HydrophobicContact CG2-CD1 4.22Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 PolarHBondContact O-N 2.97Å; L168-T170 PolarHBondContact O-N 3.24Å; L168-L171 HydrophobicContact CD1-CD2 4.35Å; L168-L171 PolarHBondContact O-N 3.45Å; L168-F172 WeakPolarHBondContact O-CB 3.4Å; L168-F172 PolarHBondContact O-N 3.37Å |
| 169 | K | 98.2 | Very high | 97 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 174.5 | 176.9 | -177.2 | 172.2 | -160.7 | 0 | 111.3 | F6 V26 G28 V165 A167 G173 | F6-K169 HydrophobicContact CD1-CB 4.4Å; F6-K169 HydrophobicContact CD2-CB 3.65Å; F6-K169 HydrophobicContact CD2-CD 4.37Å; F6-K169 HydrophobicContact CD2-CG 3.82Å; F6-K169 HydrophobicContact CE2-CB 3.85Å; F6-K169 HydrophobicContact CE2-CD 4.49Å; F6-K169 HydrophobicContact CE2-CG 3.68Å; F6-K169 HydrophobicContact CG-CB 3.95Å; F6-K169 HydrophobicContact CZ-CB 4.3Å; F6-K169 HydrophobicContact CZ-CG 4.34Å; V26-K169 HydrophobicContact CG2-CB 4.32Å; V26-K169 HydrophobicContact CG2-CD 4.21Å; G28-K169 PolarHBondContact O-NZ 3.47Å; V165-K169 VanDerWaalsContact O-CB 3.31Å; V165-K169 WeakPolarHBondContact O-CB 3.27Å; V165-K169 PolarHBondContact O-N 3.4Å; A167-K169 PolarHBondContact O-N 3.15Å; K169-G173 PolarHBondContact O-N 3.43Å; K169-G173 VanDerWaalsContact O-N 3.1Å |
| 170 | T | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 111 | L152 R166 A167 L168 F172 G173 F174 | L152-T170 HydrophobicContact CD1-CG2 3.86Å; R166-T170 PolarHBondContact O-N 3.07Å; R166-T170 PolarHBondContact O-OG1 3.11Å; A167-T170 WeakPolarHBondContact O-CB 3.04Å; A167-T170 PolarHBondContact O-N 3.48Å; A167-T170 VanDerWaalsContact O-N 3.16Å; L168-T170 PolarHBondContact O-N 3.24Å; T170-F172 PolarHBondContact O-N 3.03Å; T170-G173 PolarHBondContact O-N 3.44Å; T170-F174 PolarHBondContact O-N 3.31Å |
| 171 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 176 | 176.7 | 62.8 | 0 | 0 | 0 | 111.8 | L147 V148 L151 L152 A167 L168 G173 F174 L175 | L147-L171 HydrophobicContact CB-CD1 4.17Å; L147-L171 HydrophobicContact CB-CD2 3.68Å; L147-L171 HydrophobicContact CD1-CD2 4.07Å; V148-L171 HydrophobicContact CG2-CB 4.2Å; V148-L171 HydrophobicContact CG2-CD2 4.2Å; L151-L171 HydrophobicContact CD1-CD1 3.95Å; L152-L171 HydrophobicContact CD1-CB 4.32Å; A167-L171 WeakPolarHBondContact O-CB 3.26Å; A167-L171 PolarHBondContact O-N 3.38Å; L168-L171 HydrophobicContact CD1-CD2 4.35Å; L168-L171 PolarHBondContact O-N 3.45Å; L171-G173 VanDerWaalsContact C-N 3.3Å; L171-G173 PolarHBondContact O-N 2.98Å; L171-F174 WeakPolarHBondContact O-CB 3.2Å; L171-F174 PolarHBondContact O-N 3.22Å; L171-F174 VanDerWaalsContact O-N 3.07Å; L171-L175 HydrophobicContact CD1-CD1 4.29Å; L171-L175 HydrophobicContact CD1-CD2 4.48Å; L171-L175 HydrophobicContact CD1-CG 4.15Å; L171-L175 HydrophobicContact CG-CD1 4.1Å; L171-L175 HydrophobicContact CG-CG 4.35Å; L171-L175 WeakPolarHBondContact O-CG 3.16Å; L171-L175 PolarHBondContact O-N 2.97Å |
| 172 | F | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 178.4 | -166.7 | -85.8 | 0 | 0 | 0 | 111.8 | L4 F6 V91 T126 L129 L168 T170 F174 L175 Q176 P177 V182 | L4-F172 HydrophobicContact CD1-CD1 4.03Å; L4-F172 HydrophobicContact CD1-CE1 3.54Å; L4-F172 HydrophobicContact CD1-CZ 4.24Å; F6-F172 HydrophobicContact CE1-CB 3.52Å; F6-F172 HydrophobicContact CE1-CD1 4.23Å; F6-F172 HydrophobicContact CE1-CD2 4.07Å; F6-F172 AromaticContact CE1-CG 3.69Å; F6-F172 HydrophobicContact CE1-CG 3.69Å; F6-F172 HydrophobicContact CZ-CB 3.75Å; F6-F172 AromaticContact CZ-CD1 3.89Å; F6-F172 HydrophobicContact CZ-CD1 3.89Å; F6-F172 AromaticContact CZ-CG 3.81Å; F6-F172 HydrophobicContact CZ-CG 3.81Å; V91-F172 HydrophobicContact CG1-CD2 4.08Å; V91-F172 HydrophobicContact CG1-CE2 4.05Å; T126-F172 HydrophobicContact CG2-CD2 3.79Å; T126-F172 HydrophobicContact CG2-CE2 4.09Å; L129-F172 HydrophobicContact CD1-CE2 4.29Å; L168-F172 WeakPolarHBondContact O-CB 3.4Å; L168-F172 PolarHBondContact O-N 3.37Å; T170-F172 PolarHBondContact O-N 3.03Å; F172-F174 VanDerWaalsContact C-N 3.31Å; F172-F174 PolarHBondContact O-N 3.2Å; F172-L175 PolarHBondContact O-N 2.99Å; F172-Q176 PolarHBondContact O-N 3.32Å; F172-Q176 VanDerWaalsContact O-N 3.12Å; F172-P177 HydrophobicContact CD1-CG 4.26Å; F172-P177 HydrophobicContact CD2-CG 4.34Å; F172-P177 HydrophobicContact CE1-CG 3.62Å; F172-P177 HydrophobicContact CE2-CG 3.73Å; F172-P177 HydrophobicContact CZ-CG 3.33Å; F172-V182 HydrophobicContact CZ-CG2 4.06Å |
| 173 | G | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K169 T170 L171 Q176 | K169-G173 PolarHBondContact O-N 3.43Å; K169-G173 VanDerWaalsContact O-N 3.1Å; T170-G173 PolarHBondContact O-N 3.44Å; L171-G173 VanDerWaalsContact C-N 3.3Å; L171-G173 PolarHBondContact O-N 2.98Å; G173-Q176 WeakPolarHBondContact O-CG 3.19Å |
| 174 | F | 97.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 57.5 Ų | 57.5 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.8 | -40.2 | 173.4 | 178.2 | -89 | 0 | 0 | 0 | 112.6 | L151 L152 T170 L171 F172 Q176 | L151-F174 HydrophobicContact CB-CD1 4.17Å; L151-F174 HydrophobicContact CB-CE1 3.76Å; L151-F174 HydrophobicContact CB-CZ 4.31Å; L151-F174 HydrophobicContact CD1-CD1 4.49Å; L151-F174 HydrophobicContact CD1-CE1 4.31Å; L151-F174 HydrophobicContact CD2-CE1 4.47Å; L151-F174 HydrophobicContact CG-CE1 4.41Å; L152-F174 HydrophobicContact CD2-CB 3.54Å; L152-F174 HydrophobicContact CD2-CD1 4.05Å; L152-F174 HydrophobicContact CD2-CD2 3.47Å; L152-F174 VanDerWaalsContact CD2-CD2 3.47Å; L152-F174 HydrophobicContact CD2-CE2 4.14Å; L152-F174 HydrophobicContact CD2-CG 3.41Å; L152-F174 VanDerWaalsContact CD2-CG 3.41Å; T170-F174 PolarHBondContact O-N 3.31Å; L171-F174 WeakPolarHBondContact O-CB 3.2Å; L171-F174 PolarHBondContact O-N 3.22Å; L171-F174 VanDerWaalsContact O-N 3.07Å; F172-F174 VanDerWaalsContact C-N 3.31Å; F172-F174 PolarHBondContact O-N 3.2Å; F174-Q176 VanDerWaalsContact C-N 3.28Å; F174-Q176 PolarHBondContact O-N 3.11Å |
| 175 | L | 97.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -28.8 | 179.4 | -69 | 177.4 | 0 | 0 | 0 | 112.9 | L129 A130 L133 L134 L151 L171 F172 | L129-L175 HydrophobicContact CD2-CD1 4.49Å; A130-L175 HydrophobicContact CB-CD1 4.3Å; L133-L175 HydrophobicContact CD1-CB 4.06Å; L134-L175 HydrophobicContact CD1-CD2 3.93Å; L134-L175 HydrophobicContact CD2-CD2 3.96Å; L134-L175 HydrophobicContact CG-CD2 4.14Å; L151-L175 HydrophobicContact CD1-CD2 4.02Å; L171-L175 HydrophobicContact CD1-CD1 4.29Å; L171-L175 HydrophobicContact CD1-CD2 4.48Å; L171-L175 HydrophobicContact CD1-CG 4.15Å; L171-L175 HydrophobicContact CG-CD1 4.1Å; L171-L175 HydrophobicContact CG-CG 4.35Å; L171-L175 WeakPolarHBondContact O-CG 3.16Å; L171-L175 PolarHBondContact O-N 2.97Å; F172-L175 PolarHBondContact O-N 2.99Å |
| 176 | Q | 96.6 | Very high | 97.1 | Very high | 158 Ų | 158 | 61.1 Ų | 61.1 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | trans | 45.3 | 54.2 | 179.7 | -60.7 | -169.2 | -25.4 | 0 | 0 | 113.6 | F172 G173 F174 T178 | F172-Q176 PolarHBondContact O-N 3.32Å; F172-Q176 VanDerWaalsContact O-N 3.12Å; G173-Q176 WeakPolarHBondContact O-CG 3.19Å; F174-Q176 VanDerWaalsContact C-N 3.28Å; F174-Q176 PolarHBondContact O-N 3.11Å; Q176-T178 PolarHBondContact O-N 3.13Å | ||
| 177 | P | 96.9 | Very high | 97 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | trans | -58.8 | 139.2 | 179.2 | 24.4 | -32.5 | 0 | 0 | 0 | 111 | L129 L133 F172 V181 V182 | L129-P177 HydrophobicContact CD1-CB 4.21Å; L129-P177 HydrophobicContact CD1-CG 4.47Å; L129-P177 HydrophobicContact CD2-CB 4.2Å; L129-P177 HydrophobicContact CD2-CG 4.45Å; L133-P177 HydrophobicContact CD1-CB 4.05Å; F172-P177 HydrophobicContact CD1-CG 4.26Å; F172-P177 HydrophobicContact CD2-CG 4.34Å; F172-P177 HydrophobicContact CE1-CG 3.62Å; F172-P177 HydrophobicContact CE2-CG 3.73Å; F172-P177 HydrophobicContact CZ-CG 3.33Å; P177-V181 HydrophobicContact CB-CB 4.44Å; P177-V181 HydrophobicContact CB-CG1 4.28Å; P177-V182 HydrophobicContact CB-CG2 3.85Å; P177-V182 HydrophobicContact CG-CG2 3.86Å | ||
| 178 | T | 96.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -67.5 | 157.4 | 171.3 | 69 | 0 | 0 | 0 | 0 | 110.2 | Q176 E180 V181 V182 | Q176-T178 PolarHBondContact O-N 3.13Å; T178-E180 PolarHBondContact O-N 3.35Å; T178-V181 PolarHBondContact O-N 3.32Å; T178-V181 VanDerWaalsContact O-N 3.11Å; T178-V181 WeakPolarHBondContact OG1-CG2 3.47Å; T178-V181 PolarHBondContact OG1-N 3.27Å; T178-V182 WeakPolarHBondContact O-CG2 3.37Å; T178-V182 PolarHBondContact O-N 3.35Å | ||
| 179 | A | 95.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.2 | -33.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V182 H183 | A179-V182 PolarHBondContact O-N 3.39Å; A179-H183 WeakPolarHBondContact O-CB 3.39Å; A179-H183 PolarHBondContact O-N 3.16Å |
| 180 | E | 96.2 | Very high | 96.2 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 176 | -170.9 | -169.1 | 151.6 | 0 | 0 | 111.9 | T178 H183 R184 | T178-E180 PolarHBondContact O-N 3.35Å; E180-H183 PolarHBondContact O-N 2.95Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.82Å; E180-R184 IonicContact OE1-NH1 2.95Å; E180-R184 PolarHBondContact OE1-NH1 3.01Å |
| 181 | V | 96.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110 | L129 L133 P177 T178 H183 R184 H185 | L129-V181 HydrophobicContact CD1-CG1 4.2Å; L129-V181 HydrophobicContact CG-CG1 3.89Å; L133-V181 HydrophobicContact CD2-CG1 4.07Å; L133-V181 HydrophobicContact CD2-CG2 4.15Å; L133-V181 HydrophobicContact CG-CG1 4.29Å; P177-V181 HydrophobicContact CB-CB 4.44Å; P177-V181 HydrophobicContact CB-CG1 4.28Å; T178-V181 PolarHBondContact O-N 3.32Å; T178-V181 VanDerWaalsContact O-N 3.11Å; T178-V181 WeakPolarHBondContact OG1-CG2 3.47Å; T178-V181 PolarHBondContact OG1-N 3.27Å; V181-H183 VanDerWaalsContact C-N 3.29Å; V181-H183 PolarHBondContact O-N 2.72Å; V181-R184 PolarHBondContact O-N 3.24Å; V181-H185 PolarHBondContact O-CD2 3.23Å; V181-H185 VanDerWaalsContact O-CD2 3.23Å; V181-H185 PolarHBondContact O-N 3.09Å |
| 182 | V | 97.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.6 | -47.8 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L89 V124 L129 F172 P177 T178 A179 R184 H185 M186 | L89-V182 HydrophobicContact CD1-CG1 4.16Å; V124-V182 HydrophobicContact CG1-CG1 4.45Å; V124-V182 HydrophobicContact CG2-CG1 3.87Å; L129-V182 HydrophobicContact CD1-CG2 4.45Å; F172-V182 HydrophobicContact CZ-CG2 4.06Å; P177-V182 HydrophobicContact CB-CG2 3.85Å; P177-V182 HydrophobicContact CG-CG2 3.86Å; T178-V182 WeakPolarHBondContact O-CG2 3.37Å; T178-V182 PolarHBondContact O-N 3.35Å; A179-V182 PolarHBondContact O-N 3.39Å; V182-R184 VanDerWaalsContact C-N 3.35Å; V182-R184 PolarHBondContact O-N 2.88Å; V182-H185 CarbonylContact O-C 3.48Å; V182-H185 PolarHBondContact O-N 3.5Å; V182-H185 VanDerWaalsContact O-N 3.13Å; V182-M186 HydrophobicContact CG1-CG 4.43Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.23Å; V182-M186 VanDerWaalsContact O-N 3.16Å |
| 183 | H | 95.4 | Very high | 93.9 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | -179 | -172.8 | 66.6 | 0 | 0 | 0 | 113.2 | A179 E180 V181 H185 M186 | A179-H183 WeakPolarHBondContact O-CB 3.39Å; A179-H183 PolarHBondContact O-N 3.16Å; E180-H183 PolarHBondContact O-N 2.95Å; V181-H183 VanDerWaalsContact C-N 3.29Å; V181-H183 PolarHBondContact O-N 2.72Å; H183-H185 PolarHBondContact O-N 3.01Å; H183-M186 WeakPolarHBondContact O-CB 3.42Å; H183-M186 PolarHBondContact O-N 3.4Å |
| 184 | R | 95.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -32.2 | 175.6 | -77 | -163.5 | -76.9 | -104.7 | -2 | 113.5 | E132 E180 V181 V182 | E132-R184 IonicContact OE1-CZ 3.88Å; E132-R184 IonicContact OE1-NE 2.69Å; E132-R184 PolarHBondContact OE1-NE 2.97Å; E132-R184 IonicContact OE1-NH2 3.86Å; E132-R184 PolarHBondContact OE1-NH2 2.92Å; E132-R184 IonicContact OE2-NE 2.77Å; E180-R184 PolarHBondContact O-N 3.32Å; E180-R184 IonicContact OE1-CZ 3.82Å; E180-R184 IonicContact OE1-NH1 2.95Å; E180-R184 PolarHBondContact OE1-NH1 3.01Å; V181-R184 PolarHBondContact O-N 3.24Å; V182-R184 VanDerWaalsContact C-N 3.35Å; V182-R184 PolarHBondContact O-N 2.88Å |
| 185 | H | 95.9 | Very high | 90.3 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9.2 | -178.7 | -65 | -71.3 | 0 | 0 | 0 | 113.3 | V124 L129 E132 V181 V182 H183 | V124-H185 HydrophobicContact CG1-CB 4.46Å; L129-H185 HydrophobicContact CB-CB 4.17Å; L129-H185 HydrophobicContact CD1-CB 4.42Å; E132-H185 IonicContact OE2-CD2 3.37Å; E132-H185 IonicContact OE2-CE1 3.72Å; E132-H185 IonicContact OE2-NE2 3.43Å; E132-H185 PolarHBondContact OE2-NE2 3.21Å; V181-H185 PolarHBondContact O-CD2 3.23Å; V181-H185 VanDerWaalsContact O-CD2 3.23Å; V181-H185 PolarHBondContact O-N 3.09Å; V182-H185 CarbonylContact O-C 3.48Å; V182-H185 PolarHBondContact O-N 3.5Å; V182-H185 VanDerWaalsContact O-N 3.13Å; H183-H185 PolarHBondContact O-N 3.01Å |
| 186 | M | 95.9 | Very high | 88.2 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 30% | 0.296 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 145.9 | 173.5 | -79.8 | 176.5 | 62.7 | 0 | 0 | 111.9 | L89 C123 V124 V182 H183 | L89-M186 HydrophobicContact CD1-SD 4.41Å; L89-M186 HydrophobicContact CD2-CE 3.44Å; L89-M186 VanDerWaalsContact CD2-CE 3.44Å; L89-M186 HydrophobicContact CD2-CG 4.37Å; L89-M186 HydrophobicContact CD2-SD 3.87Å; C123-M186 CarbonylContact O-C 3.52Å; C123-M186 VanDerWaalsContact O-CA 3.23Å; C123-M186 WeakPolarHBondContact O-CA 3.23Å; V124-M186 HydrophobicContact CG2-CG 3.66Å; V182-M186 HydrophobicContact CG1-CG 4.43Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.23Å; V182-M186 VanDerWaalsContact O-N 3.16Å; H183-M186 WeakPolarHBondContact O-CB 3.42Å; H183-M186 PolarHBondContact O-N 3.4Å |
| 187 | F | 96.9 | Very high | 85.6 | Confident | 9 Ų | 9 | 74.1 Ų | 74.1 | 4% | 0.039 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 172.7 | 172.3 | 68 | -80 | 0 | 0 | 0 | 110.9 | I95 R96 C100 C123 D125 L192 | I95-F187 HydrophobicContact CD1-CE1 4.28Å; I95-F187 HydrophobicContact CD1-CZ 4.08Å; I95-F187 HydrophobicContact CG1-CE1 4.37Å; I95-F187 HydrophobicContact CG1-CZ 4.15Å; R96-F187 HydrophobicContact CB-CD1 4.43Å; R96-F187 HydrophobicContact CB-CE1 3.87Å; R96-F187 HydrophobicContact CB-CE2 4.17Å; R96-F187 HydrophobicContact CB-CZ 3.72Å; R96-F187 HydrophobicContact CG-CD1 4.41Å; R96-F187 HydrophobicContact CG-CD2 4.17Å; R96-F187 HydrophobicContact CG-CE1 4.27Å; R96-F187 HydrophobicContact CG-CE2 4.04Å; R96-F187 HydrophobicContact CG-CG 4.36Å; R96-F187 HydrophobicContact CG-CZ 4.08Å; C100-F187 HydrophobicContact CB-CE2 4.04Å; C100-F187 HydrophobicContact CB-CZ 4.28Å; C123-F187 HydrophobicContact CB-CD1 3.95Å; C123-F187 HydrophobicContact CB-CD2 4.08Å; C123-F187 HydrophobicContact CB-CE1 3.49Å; C123-F187 VanDerWaalsContact CB-CE1 3.49Å; C123-F187 HydrophobicContact CB-CE2 3.62Å; C123-F187 HydrophobicContact CB-CG 4.23Å; C123-F187 HydrophobicContact CB-CZ 3.31Å; C123-F187 PolarHBondContact N-O 3.1Å; C123-F187 WeakPolarHBondContact O-CD1 3.41Å; C123-F187 PolarHBondContact O-N 2.77Å; D125-F187 HydrophobicContact CB-CE1 4.04Å; F187-L192 HydrophobicContact CD2-CD2 3.99Å; F187-L192 HydrophobicContact CE2-CD2 3.61Å |
| 188 | T | 96.3 | Very high | 82.9 | Confident | 60 Ų | 60 | 79 Ų | 79 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | trans | -123.7 | 165.2 | 173.2 | 61.1 | 0 | 0 | 0 | 0 | 109.3 | D190 T191 L192 | T188-D190 PolarHBondContact O-N 2.74Å; T188-T191 PolarHBondContact N-OG1 2.93Å; T188-T191 PolarHBondContact O-N 3.02Å; T188-T191 PolarHBondContact O-OG1 3.5Å; T188-T191 PolarHBondContact OG1-OG1 2.69Å; T188-T191 VanDerWaalsContact OG1-OG1 3.09Å; T188-L192 PolarHBondContact O-N 3.1Å | ||
| 189 | L | 93.1 | Very high | 80.1 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -61 | -28.9 | 177.3 | -61.6 | -172.4 | 0 | 0 | 0 | 112.2 | C100 A104 L107 F116 T191 L192 | C100-L189 HydrophobicContact CB-CD2 3.97Å; A104-L189 HydrophobicContact CB-CD1 4.28Å; L107-L189 HydrophobicContact CD1-CD1 3.62Å; F116-L189 HydrophobicContact CD1-CD1 3.63Å; F116-L189 HydrophobicContact CD1-CG 4.41Å; F116-L189 HydrophobicContact CE1-CD1 3.61Å; F116-L189 HydrophobicContact CE1-CD2 4.49Å; F116-L189 HydrophobicContact CE1-CG 4.02Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.27Å; L189-L192 HydrophobicContact CB-CD1 4.45Å; L189-L192 HydrophobicContact CD2-CD1 4.16Å; L189-L192 WeakPolarHBondContact O-CD1 3.33Å; L189-L192 VanDerWaalsContact O-CG 3.27Å; L189-L192 WeakPolarHBondContact O-CG 3.37Å |
| 190 | D | 89.3 | Confident | 79.4 | Confident | 106 Ų | 106 | 83.2 Ų | 83.2 | 57% | 0.567 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -70.6 | -21.4 | 175.5 | -59.8 | -30.4 | 0 | 0 | 0 | 114 | R113 T188 | R113-D190 IonicContact CZ-OD1 2.79Å; R113-D190 IonicContact NE-OD1 3.32Å; R113-D190 IonicContact NH2-OD1 2.77Å; R113-D190 PolarHBondContact NH2-OD1 3.33Å; T188-D190 PolarHBondContact O-N 2.74Å |
| 191 | T | 89.3 | Confident | 78.5 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 30% | 0.301 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -103.2 | 12.1 | -178 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | R96 T188 L189 D193 S194 | R96-T191 PolarHBondContact NH2-O 2.81Å; T188-T191 PolarHBondContact N-OG1 2.93Å; T188-T191 PolarHBondContact O-N 3.02Å; T188-T191 PolarHBondContact O-OG1 3.5Å; T188-T191 PolarHBondContact OG1-OG1 2.69Å; T188-T191 VanDerWaalsContact OG1-OG1 3.09Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.27Å; T191-D193 VanDerWaalsContact C-N 3.3Å; T191-D193 PolarHBondContact O-N 2.77Å; T191-S194 WeakPolarHBondContact O-CB 3.4Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 84.8 | Confident | 77.5 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 16% | 0.157 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -44.5 | 178 | -77.5 | 173.3 | 0 | 0 | 0 | 112.5 | R96 C100 P101 A104 F187 T188 L189 S194 | R96-L192 HydrophobicContact CG-CD2 4.2Å; C100-L192 HydrophobicContact CB-CD2 3.77Å; P101-L192 HydrophobicContact CG-CD2 4.42Å; A104-L192 HydrophobicContact CB-CD1 4.17Å; F187-L192 HydrophobicContact CD2-CD2 3.99Å; F187-L192 HydrophobicContact CE2-CD2 3.61Å; T188-L192 PolarHBondContact O-N 3.1Å; L189-L192 HydrophobicContact CB-CD1 4.45Å; L189-L192 HydrophobicContact CD2-CD1 4.16Å; L189-L192 WeakPolarHBondContact O-CD1 3.33Å; L189-L192 VanDerWaalsContact O-CG 3.27Å; L189-L192 WeakPolarHBondContact O-CG 3.37Å; L192-S194 VanDerWaalsContact C-N 3.33Å |
| 193 | D | 73 | Confident | 76.4 | Confident | 167 Ų | 167 | 89.1 Ų | 89.1 | 89% | 0.893 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -9.4 | -178.8 | -64 | -35.9 | 0 | 0 | 0 | 113.8 | T191 | T191-D193 VanDerWaalsContact C-N 3.3Å; T191-D193 PolarHBondContact O-N 2.77Å |
| 194 | S | 67.9 | Low | 75.2 | Confident | 63 Ų | 63 | 86.3 Ų | 86.3 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -76.3 | 134.8 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | R96 T191 L192 | R96-S194 PolarHBondContact NH2-O 2.91Å; T191-S194 WeakPolarHBondContact O-CB 3.4Å; T191-S194 PolarHBondContact O-N 3.03Å; T191-S194 VanDerWaalsContact O-N 3.1Å; L192-S194 VanDerWaalsContact C-N 3.33Å |
| 195 | K | 51.2 | Low | 73.8 | Confident | 189 Ų | 189 | 85 Ų | 85 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 141.1 | 169.4 | -75.2 | -177.3 | 179.5 | 177.7 | 0 | 109 | T197 | K195-T197 PolarHBondContact O-N 2.92Å; K195-T197 VanDerWaalsContact O-N 3.13Å |
| 196 | P | 53.8 | Low | 72.2 | Confident | 73 Ų | 73 | 88.9 Ų | 88.9 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 124.5 | 167.8 | -4.7 | 10.7 | 0 | 0 | 0 | 108.1 | V198 | P196-V198 VanDerWaalsContact C-N 3.26Å; P196-V198 HydrophobicContact CB-CG2 4.42Å; P196-V198 PolarHBondContact O-N 3.13Å |
| 197 | T | 40.9 | Very low | 70.4 | Confident | 137 Ų | 137 | 91.2 Ų | 91.2 | 84% | 0.84 | 52% | 0.523 | S | S | * | . | trans | -67.4 | 92.5 | 167.2 | 39.8 | 0 | 0 | 0 | 0 | 107.2 | K195 | K195-T197 PolarHBondContact O-N 2.92Å; K195-T197 VanDerWaalsContact O-N 3.13Å | ||
| 198 | V | 41 | Very low | 68.2 | Low | 122 Ų | 122 | 98 Ų | 98 | 74% | 0.739 | 56% | 0.563 | S | S | * | * | trans | -84.2 | 123.5 | 166.3 | -170.8 | 0 | 0 | 0 | 0 | 106.2 | P196 | P196-V198 VanDerWaalsContact C-N 3.26Å; P196-V198 HydrophobicContact CB-CG2 4.42Å; P196-V198 PolarHBondContact O-N 3.13Å | ||
| 199 | P | 37.9 | Very low | 65.7 | Low | 172 Ų | 172 | 101.5 Ų | 101.5 | 100% | 1.117 | 58% | 0.581 | S | S | * | * | trans | -67.5 | 0 | 165.3 | 27.9 | -31.3 | 0 | 0 | 0 | 111.6 |
Retrieved 199 of 199 residues in 76.8 ms
(Link to these results)