| 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 | T | 34 | Very low | 66.2 | Low | 177 Ų | 177 | 94.9 Ų | 94.9 | 100% | 1.086 | 55% | 0.55 | S | S | * | . | 0 | 111.6 | 0 | 21 | 0 | 0 | 0 | 0 | 109 | N3 | T1-N3 VanDerWaalsContact C-N 3.29Å; T1-N3 PolarHBondContact O-N 3.49Å; T1-N3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | M | 37.5 | Very low | 68.9 | Low | 194 Ų | 194 | 87 Ų | 87 | 96% | 0.956 | 50% | 0.504 | S | S | * | . | trans | -82.9 | 63.3 | -175.4 | -72.4 | -173.5 | -76.8 | 0 | 0 | 111.7 | G4 | M2-G4 PolarHBondContact O-N 3Å; M2-G4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | N | 46.4 | Very low | 71.2 | Confident | 146 Ų | 146 | 80.3 Ų | 80.3 | 78% | 0.781 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 78.6 | -177.9 | -77 | 8.3 | 0 | 0 | 0 | 112.2 | T1 | T1-N3 VanDerWaalsContact C-N 3.29Å; T1-N3 PolarHBondContact O-N 3.49Å; T1-N3 VanDerWaalsContact O-N 3.1Å |
| 4 | G | 47.6 | Very low | 73.1 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.4 | -6.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | M2 | M2-G4 PolarHBondContact O-N 3Å; M2-G4 VanDerWaalsContact O-N 3.16Å |
| 5 | L | 55.1 | Low | 74.8 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | trans | -138.5 | 62 | 177.3 | -72.9 | 167.9 | 0 | 0 | 0 | 109.3 | E7 V55 | L5-E7 VanDerWaalsContact C-N 3.34Å; L5-V55 HydrophobicContact CB-CG1 4.2Å; L5-V55 HydrophobicContact CB-CG2 4.13Å; L5-V55 HydrophobicContact CD1-CG2 4.27Å | ||
| 6 | T | 59.3 | Low | 76.3 | Confident | 127 Ų | 127 | 65.3 Ų | 65.3 | 78% | 0.779 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -78.5 | -20.4 | 178.4 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 7 | E | 69.4 | Low | 77.6 | Confident | 150 Ų | 150 | 62.9 Ų | 62.9 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | trans | -160.3 | 123.3 | 172.8 | -110.9 | 166.9 | 174.1 | 0 | 0 | 110 | L5 | L5-E7 VanDerWaalsContact C-N 3.34Š| ||
| 8 | L | 89.3 | Confident | 78.6 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127 | 169.2 | 175 | 69.4 | 0 | 0 | 0 | 108.1 | V10 I57 S58 F176 | L8-V10 HydrophobicContact CD2-CG2 4.09Å; L8-V10 HydrophobicContact CG-CG2 4.11Å; L8-I57 HydrophobicContact CB-CG1 4.23Å; L8-I57 HydrophobicContact CD2-CD1 4.05Å; L8-I57 HydrophobicContact CD2-CG1 4.3Å; L8-I57 CarbonylContact O-C 3.55Å; L8-I57 WeakPolarHBondContact O-CA 3.27Å; L8-I57 WeakPolarHBondContact O-CG2 3.37Å; L8-S58 PolarHBondContact O-N 3.11Å; L8-F176 HydrophobicContact CD2-CB 4.41Å; L8-F176 HydrophobicContact CD2-CD2 3.73Å |
| 9 | S | 94.8 | Very high | 79.4 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 58% | 0.58 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138 | 168.8 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | S58 | S9-S58 WeakPolarHBondContact CA-O 3.5Å; S9-S58 PolarHBondContact OG-O 3.11Å |
| 10 | V | 97.4 | Very high | 80.3 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.6 | 176.6 | 176 | 0 | 0 | 0 | 0 | 109 | L8 I57 S58 L59 G60 D82 V83 V175 | L8-V10 HydrophobicContact CD2-CG2 4.09Å; L8-V10 HydrophobicContact CG-CG2 4.11Å; V10-I57 HydrophobicContact CB-CG2 4.16Å; V10-I57 HydrophobicContact CG2-CG2 3.66Å; V10-S58 PolarHBondContact N-O 2.98Å; V10-L59 HydrophobicContact CB-CD1 4.12Å; V10-L59 HydrophobicContact CG1-CD1 3.94Å; V10-G60 PolarHBondContact O-N 3.49Å; V10-D82 HydrophobicContact CG1-CB 4.24Å; V10-V83 HydrophobicContact CG1-CG1 4.32Å; V10-V175 HydrophobicContact CG1-CB 4.24Å; V10-V175 HydrophobicContact CG1-CG1 4.34Å; V10-V175 HydrophobicContact CG1-CG2 3.97Å; V10-V175 HydrophobicContact CG2-CB 4.18Å; V10-V175 HydrophobicContact CG2-CG1 3.86Å |
| 11 | K | 97.9 | Very high | 81.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 113.6 | 169.8 | 175.3 | 163.6 | 176.8 | 177 | 0 | 110.9 | V13 W62 S77 Q79 D82 V83 | K11-V13 HydrophobicContact CG-CG2 4.39Å; K11-W62 HydrophobicContact CB-CE3 4.48Å; K11-W62 HydrophobicContact CB-CZ3 4.03Å; K11-W62 HydrophobicContact CD-CD2 4.09Å; K11-W62 HydrophobicContact CD-CE3 3.99Å; K11-W62 HydrophobicContact CD-CH2 3.92Å; K11-W62 HydrophobicContact CD-CZ2 4.02Å; K11-W62 HydrophobicContact CD-CZ3 3.85Å; K11-W62 VanDerWaalsContact CE-CD2 3.47Å; K11-W62 VanDerWaalsContact CE-CE2 3.45Å; K11-W62 HydrophobicContact CG-CD2 4.09Å; K11-W62 HydrophobicContact CG-CE3 3.57Å; K11-W62 HydrophobicContact CG-CH2 4.09Å; K11-W62 HydrophobicContact CG-CZ3 3.51Å; K11-S77 WeakPolarHBondContact CE-O 3.16Å; K11-S77 PolarHBondContact NZ-O 3.36Å; K11-Q79 WeakPolarHBondContact CE-O 3.07Å; K11-Q79 PolarHBondContact NZ-O 3.05Å; K11-D82 PolarHBondContact N-OD2 2.91Å; K11-D82 PolarHBondContact O-N 2.9Å; K11-V83 PolarHBondContact O-N 2.93Å |
| 12 | C | 98.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.3 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L59 G60 L61 W62 V83 | C12-L59 HydrophobicContact CB-CD1 3.9Å; C12-G60 PolarHBondContact N-O 3.07Å; C12-L61 HydrophobicContact CB-CD2 4.03Å; C12-L61 WeakPolarHBondContact O-CA 3.34Å; C12-W62 PolarHBondContact O-N 3.49Å; C12-V83 WeakPolarHBondContact CA-O 3.29Å; C12-V83 HydrophobicContact CB-CG1 3.89Å |
| 13 | V | 98.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.2 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | K11 V15 W62 T64 Y78 A81 V83 V84 L85 | K11-V13 HydrophobicContact CG-CG2 4.39Å; V13-V15 HydrophobicContact CG1-CG1 4.05Å; V13-W62 HydrophobicContact CB-CB 4.35Å; V13-W62 HydrophobicContact CG1-CB 4.29Å; V13-W62 HydrophobicContact CG2-CB 3.96Å; V13-W62 HydrophobicContact CG2-CG 4.43Å; V13-T64 HydrophobicContact CG1-CG2 3.85Å; V13-Y78 HydrophobicContact CG1-CD1 3.92Å; V13-Y78 HydrophobicContact CG1-CE1 4.02Å; V13-A81 HydrophobicContact CG2-CB 3.62Å; V13-V83 PolarHBondContact N-O 2.85Å; V13-V84 CarbonylContact O-C 3.45Å; V13-V84 WeakPolarHBondContact O-CA 3.32Å; V13-L85 PolarHBondContact O-N 2.77Å |
| 14 | L | 98.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129 | 174.4 | -71.7 | 70.8 | 0 | 0 | 0 | 109.8 | K22 L25 W62 T64 L85 | L14-K22 HydrophobicContact CB-CB 4.36Å; L14-K22 HydrophobicContact CB-CD 4.31Å; L14-K22 HydrophobicContact CD2-CB 4.22Å; L14-L25 HydrophobicContact CD2-CD2 4.36Å; L14-W62 PolarHBondContact N-O 2.81Å; L14-T64 WeakPolarHBondContact O-CB 3.36Å; L14-T64 WeakPolarHBondContact O-CG2 3.38Å; L14-T64 PolarHBondContact O-OG1 3.09Å; L14-L85 WeakPolarHBondContact CA-O 3.32Å; L14-L85 HydrophobicContact CD1-CD1 4.1Å; L14-L85 HydrophobicContact CG-CB 4.12Å; L14-L85 HydrophobicContact CG-CD1 4.05Å |
| 15 | V | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.5 | 175.9 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | V13 K22 Y78 V84 L85 M86 C87 W103 V107 | V13-V15 HydrophobicContact CG1-CG1 4.05Å; V15-K22 VanDerWaalsContact C-CD 3.43Å; V15-Y78 HydrophobicContact CG1-CE1 3.49Å; V15-Y78 VanDerWaalsContact CG1-CE1 3.49Å; V15-Y78 WeakPolarHBondContact CG1-OH 3.36Å; V15-V84 HydrophobicContact CG1-CG1 4.32Å; V15-V84 HydrophobicContact CG2-CG1 3.74Å; V15-L85 PolarHBondContact N-O 2.69Å; V15-M86 HydrophobicContact CG2-CB 4.28Å; V15-M86 HydrophobicContact CG2-CG 3.8Å; V15-C87 PolarHBondContact O-N 3.39Å; V15-W103 HydrophobicContact CB-CE3 3.99Å; V15-W103 HydrophobicContact CB-CZ3 4.17Å; V15-W103 HydrophobicContact CG2-CE3 4.28Å; V15-V107 HydrophobicContact CG2-CG2 4Å |
| 16 | G | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 142.1 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K22 G66 C87 W103 | G16-K22 PolarHBondContact O-NZ 3.44Å; G16-G66 WeakPolarHBondContact O-CA 3.28Å; G16-C87 WeakPolarHBondContact CA-O 3.33Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact CA-CE2 3.48Å; G16-W103 WeakPolarHBondContact O-CH2 3.4Å; G16-W103 VanDerWaalsContact O-CZ2 3.23Å; G16-W103 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 17 | D | 98.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 14% | 0.139 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -58.8 | 165.5 | -176 | -74.3 | -2.2 | 0 | 0 | 0 | 113.1 | V20 K22 S95 S98 W103 | D17-V20 HydrophobicContact CB-CG1 3.77Å; D17-V20 VanDerWaalsContact O-CG2 3.22Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; D17-K22 PolarHBondContact O-NZ 3.19Å; D17-S95 WeakPolarHBondContact OD2-CA 3.29Å; D17-S98 WeakPolarHBondContact OD1-CB 3.12Å; D17-S98 PolarHBondContact OD1-OG 2.71Å; D17-S98 VanDerWaalsContact OD2-CB 3.29Å; D17-S98 WeakPolarHBondContact OD2-CB 3.37Å; D17-S98 PolarHBondContact OD2-OG 2.82Å; D17-W103 WeakPolarHBondContact OD1-CZ2 3.35Å; D17-W103 PolarHBondContact OD1-NE1 2.86Å |
| 18 | C | 95.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 19.4 Ų | 19.4 | 37% | 0.372 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 149.8 | 170.9 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | V20 N67 | C18-V20 PolarHBondContact O-N 3.45Å; C18-N67 VanDerWaalsContact SG-CA 3.6Å; C18-N67 VanDerWaalsContact SG-CB 3.59Å; C18-N67 PolarHBondContact SG-N 3.33Å |
| 19 | A | 95 | Very high | 96.7 | Very high | 60 Ų | 60 | 20.9 Ų | 20.9 | 50% | 0.496 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 8.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G21 Y38 Q122 | A19-G21 PolarHBondContact O-N 3.4Å; A19-G21 VanDerWaalsContact O-N 3.15Å; A19-Y38 HydrophobicContact CB-CE2 4.44Å; A19-Q122 PolarHBondContact O-NE2 2.84Å |
| 20 | V | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -75.3 | 7.5 | 172.9 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | D17 C18 K22 C87 T121 | D17-V20 HydrophobicContact CB-CG1 3.77Å; D17-V20 VanDerWaalsContact O-CG2 3.22Å; D17-V20 WeakPolarHBondContact O-CG2 3.46Å; C18-V20 PolarHBondContact O-N 3.45Å; V20-K22 HydrophobicContact CG2-CD 4.39Å; V20-K22 HydrophobicContact CG2-CG 3.8Å; V20-C87 HydrophobicContact CG2-CB 4.06Å; V20-T121 VanDerWaalsContact O-CB 3.3Å; V20-T121 WeakPolarHBondContact O-CB 3.3Å; V20-T121 PolarHBondContact O-OG1 3.06Å |
| 21 | G | 96.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 81.8 | 22.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | A19 A24 L25 | A19-G21 PolarHBondContact O-N 3.4Å; A19-G21 VanDerWaalsContact O-N 3.15Å; G21-A24 PolarHBondContact O-N 3.31Å; G21-L25 WeakPolarHBondContact O-CB 3.48Å; G21-L25 PolarHBondContact O-N 3.46Å |
| 22 | K | 97.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.6 | -52.1 | 174.4 | -58.9 | -172.1 | -58.4 | -74.4 | 0 | 112.2 | L14 V15 G16 D17 V20 A24 L25 L26 D63 T64 C87 | L14-K22 HydrophobicContact CB-CB 4.36Å; L14-K22 HydrophobicContact CB-CD 4.31Å; L14-K22 HydrophobicContact CD2-CB 4.22Å; V15-K22 VanDerWaalsContact C-CD 3.43Å; G16-K22 PolarHBondContact O-NZ 3.44Å; D17-K22 PolarHBondContact O-NZ 3.19Å; V20-K22 HydrophobicContact CG2-CD 4.39Å; V20-K22 HydrophobicContact CG2-CG 3.8Å; K22-A24 PolarHBondContact O-N 3.15Å; K22-L25 WeakPolarHBondContact O-CB 3.35Å; K22-L25 PolarHBondContact O-N 3.1Å; K22-L26 PolarHBondContact O-N 2.76Å; K22-D63 WeakPolarHBondContact CB-OD1 3.39Å; K22-T64 WeakPolarHBondContact CE-O 3.34Å; K22-T64 PolarHBondContact NZ-O 3.08Å; K22-C87 HydrophobicContact CD-CB 4.43Å; K22-C87 HydrophobicContact CG-CB 3.9Å |
| 23 | T | 95.8 | Very high | 94.6 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.9 | -40.5 | 0 | 0 | 0 | 0 | 111.7 | L25 L26 V27 T41 D63 | T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.36Å; T23-L26 PolarHBondContact O-N 3.24Å; T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 WeakPolarHBondContact O-CB 3.42Å; T23-V27 WeakPolarHBondContact O-CG2 3.44Å; T23-V27 PolarHBondContact O-N 2.96Å; T23-T41 PolarHBondContact OG1-OG1 3.22Å; T23-D63 VanDerWaalsContact CA-OD2 3.32Å; T23-D63 WeakPolarHBondContact CA-OD2 3.49Å; T23-D63 VanDerWaalsContact CB-OD2 3.23Å; T23-D63 WeakPolarHBondContact CB-OD2 3.46Å; T23-D63 WeakPolarHBondContact CG2-OD2 3.3Å; T23-D63 PolarHBondContact OG1-OD2 3.03Å |
| 24 | A | 96.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G21 K22 R28 F34 P35 S158 | G21-A24 PolarHBondContact O-N 3.31Å; K22-A24 PolarHBondContact O-N 3.15Å; A24-R28 WeakPolarHBondContact O-CB 3.31Å; A24-R28 PolarHBondContact O-N 3.16Å; A24-F34 HydrophobicContact CB-CE2 4.01Å; A24-P35 HydrophobicContact CB-CG 4.36Å; A24-S158 WeakPolarHBondContact O-CB 3.43Å |
| 25 | L | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 172.7 | 175.6 | 60.2 | 0 | 0 | 0 | 112 | L14 G21 K22 T23 F29 V119 S158 V164 V167 F168 | L14-L25 HydrophobicContact CD2-CD2 4.36Å; G21-L25 WeakPolarHBondContact O-CB 3.48Å; G21-L25 PolarHBondContact O-N 3.46Å; K22-L25 WeakPolarHBondContact O-CB 3.35Å; K22-L25 PolarHBondContact O-N 3.1Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.36Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 3.38Å; L25-F29 VanDerWaalsContact O-N 3.12Å; L25-V119 HydrophobicContact CD2-CG1 4.32Å; L25-S158 WeakPolarHBondContact CA-OG 3.46Å; L25-S158 PolarHBondContact N-OG 3.12Å; L25-V164 HydrophobicContact CD1-CB 4.28Å; L25-V164 HydrophobicContact CD1-CG1 3.94Å; L25-V164 HydrophobicContact CD1-CG2 4.01Å; L25-V167 HydrophobicContact CD2-CG1 4.29Å; L25-F168 HydrophobicContact CD1-CE2 3.84Å; L25-F168 HydrophobicContact CD1-CZ 4.42Å; L25-F168 HydrophobicContact CD2-CZ 4.44Å; L25-F168 HydrophobicContact CG-CE2 3.89Å; L25-F168 HydrophobicContact CG-CZ 3.95Å |
| 26 | L | 95.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -54 | 177.3 | -170.2 | 161.2 | 0 | 0 | 0 | 110.9 | K22 T23 R28 F29 T30 L61 D63 | K22-L26 PolarHBondContact O-N 2.76Å; T23-L26 PolarHBondContact O-N 3.24Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.33Å; L26-F29 WeakPolarHBondContact O-CB 3.2Å; L26-F29 PolarHBondContact O-N 3.09Å; L26-T30 HydrophobicContact CD2-CG2 3.88Å; L26-T30 PolarHBondContact O-N 3.05Å; L26-T30 PolarHBondContact O-OG1 3.01Å; L26-L61 HydrophobicContact CD1-CB 3.72Å; L26-L61 HydrophobicContact CD1-CD1 4.45Å; L26-L61 HydrophobicContact CD2-CD1 4.44Å; L26-L61 HydrophobicContact CG-CB 4.19Å; L26-L61 HydrophobicContact CG-CD1 4Å; L26-D63 HydrophobicContact CD1-CB 3.91Å |
| 27 | V | 93.5 | Very high | 90.9 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | T23 F29 T30 S31 P35 | T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 WeakPolarHBondContact O-CB 3.42Å; T23-V27 WeakPolarHBondContact O-CG2 3.44Å; T23-V27 PolarHBondContact O-N 2.96Å; V27-F29 PolarHBondContact O-N 3Å; V27-T30 PolarHBondContact O-N 2.95Å; V27-T30 VanDerWaalsContact O-N 3.14Å; V27-T30 PolarHBondContact O-OG1 3.4Å; V27-S31 WeakPolarHBondContact CG1-OG 3.42Å; V27-S31 PolarHBondContact O-N 3.42Å; V27-S31 PolarHBondContact O-OG 2.99Å; V27-P35 HydrophobicContact CB-CG 4.21Å; V27-P35 HydrophobicContact CG1-CG 4.11Å; V27-P35 HydrophobicContact CG2-CG 4.4Å |
| 28 | R | 95.3 | Very high | 89.8 | Confident | 37 Ų | 37 | 54 Ų | 54 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -37 | 179.2 | 179.4 | 60.1 | 81 | 173.4 | 14.8 | 112.6 | A24 L26 E32 T33 S158 L159 N161 V164 | A24-R28 WeakPolarHBondContact O-CB 3.31Å; A24-R28 PolarHBondContact O-N 3.16Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.33Å; R28-E32 PolarHBondContact NH1-O 3.19Å; R28-E32 WeakPolarHBondContact O-CA 3.46Å; R28-E32 PolarHBondContact O-N 3.14Å; R28-T33 VanDerWaalsContact CA-O 3.25Å; R28-T33 WeakPolarHBondContact CA-O 3.41Å; R28-T33 PolarHBondContact NE-O 3.39Å; R28-S158 PolarHBondContact NE-O 3.01Å; R28-S158 PolarHBondContact NH2-O 2.94Å; R28-L159 PolarHBondContact NH2-O 3.25Å; R28-N161 WeakPolarHBondContact CD-OD1 3.48Å; R28-N161 HydrophobicContact CG-CB 4.39Å; R28-N161 VanDerWaalsContact CG-OD1 3.29Å; R28-N161 WeakPolarHBondContact CG-OD1 3.48Å; R28-V164 HydrophobicContact CB-CG1 4.42Å; R28-V164 HydrophobicContact CG-CB 4.45Å; R28-V164 HydrophobicContact CG-CG1 4.1Å; R28-V164 HydrophobicContact CG-CG2 3.97Å |
| 29 | F | 95.3 | Very high | 88.9 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71 | -37.7 | 177.9 | 175.6 | -113.2 | 0 | 0 | 0 | 113 | L25 L26 V27 V48 V50 L59 L61 V164 F168 | L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 PolarHBondContact O-N 3.38Å; L25-F29 VanDerWaalsContact O-N 3.12Å; L26-F29 WeakPolarHBondContact O-CB 3.2Å; L26-F29 PolarHBondContact O-N 3.09Å; V27-F29 PolarHBondContact O-N 3Å; F29-V48 HydrophobicContact CE1-CG2 3.67Å; F29-V48 HydrophobicContact CZ-CG2 4.2Å; F29-V50 HydrophobicContact CZ-CG1 4.25Å; F29-L59 HydrophobicContact CE1-CD2 3.89Å; F29-L59 HydrophobicContact CZ-CD2 4.08Å; F29-L61 HydrophobicContact CD1-CD1 3.74Å; F29-L61 HydrophobicContact CE1-CD1 3.96Å; F29-V164 HydrophobicContact CB-CG1 3.77Å; F29-V164 HydrophobicContact CD2-CG1 4.44Å; F29-F168 HydrophobicContact CB-CD2 3.72Å; F29-F168 HydrophobicContact CB-CE2 3.36Å; F29-F168 HydrophobicContact CB-CZ 4.05Å; F29-F168 HydrophobicContact CD1-CD1 4.07Å; F29-F168 AromaticContact CD1-CD2 3.7Å; F29-F168 HydrophobicContact CD1-CD2 3.7Å; F29-F168 HydrophobicContact CD1-CE1 4.19Å; F29-F168 AromaticContact CD1-CE2 3.85Å; F29-F168 HydrophobicContact CD1-CE2 3.85Å; F29-F168 AromaticContact CD1-CG 3.82Å; F29-F168 HydrophobicContact CD1-CG 3.82Å; F29-F168 HydrophobicContact CD1-CZ 4.08Å; F29-F168 HydrophobicContact CD2-CB 4.14Å; F29-F168 AromaticContact CD2-CD2 3.36Å; F29-F168 HydrophobicContact CD2-CD2 3.36Å; F29-F168 AromaticContact CD2-CE2 3.99Å; F29-F168 HydrophobicContact CD2-CE2 3.99Å; F29-F168 AromaticContact CD2-CG 3.9Å; F29-F168 HydrophobicContact CD2-CG 3.9Å; F29-F168 HydrophobicContact CE1-CB 4.07Å; F29-F168 HydrophobicContact CE1-CD1 4.06Å; F29-F168 HydrophobicContact CE1-CD2 4.13Å; F29-F168 AromaticContact CE1-CG 3.81Å; F29-F168 HydrophobicContact CE1-CG 3.81Å; F29-F168 HydrophobicContact CE2-CB 3.68Å; F29-F168 AromaticContact CE2-CD2 3.84Å; F29-F168 HydrophobicContact CE2-CD2 3.84Å; F29-F168 AromaticContact CE2-CG 3.91Å; F29-F168 HydrophobicContact CE2-CG 3.91Å; F29-F168 HydrophobicContact CG-CD1 4.49Å; F29-F168 AromaticContact CG-CD2 3.29Å; F29-F168 HydrophobicContact CG-CD2 3.29Å; F29-F168 AromaticContact CG-CE2 3.46Å; F29-F168 HydrophobicContact CG-CE2 3.46Å; F29-F168 VanDerWaalsContact CG-CE2 3.46Å; F29-F168 AromaticContact CG-CG 3.86Å; F29-F168 HydrophobicContact CG-CG 3.86Å; F29-F168 HydrophobicContact CG-CZ 4.13Å; F29-F168 HydrophobicContact CZ-CB 3.64Å; F29-F168 HydrophobicContact CZ-CD1 4.5Å; F29-F168 HydrophobicContact CZ-CD2 4.2Å; F29-F168 AromaticContact CZ-CG 3.86Å; F29-F168 HydrophobicContact CZ-CG 3.86Å |
| 30 | T | 92.1 | Very high | 88 | Confident | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -90.8 | -30.6 | -173.1 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | L26 V27 T46 V48 L61 | L26-T30 HydrophobicContact CD2-CG2 3.88Å; L26-T30 PolarHBondContact O-N 3.05Å; L26-T30 PolarHBondContact O-OG1 3.01Å; V27-T30 PolarHBondContact O-N 2.95Å; V27-T30 VanDerWaalsContact O-N 3.14Å; V27-T30 PolarHBondContact O-OG1 3.4Å; T30-T46 HydrophobicContact CG2-CG2 4.03Å; T30-V48 HydrophobicContact CG2-CG1 3.84Å; T30-L61 HydrophobicContact CG2-CD1 3.61Å |
| 31 | S | 88.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -118.3 | -1.9 | -175.3 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | V27 T33 | V27-S31 WeakPolarHBondContact CG1-OG 3.42Å; V27-S31 PolarHBondContact O-N 3.42Å; V27-S31 PolarHBondContact O-OG 2.99Å; S31-T33 PolarHBondContact O-N 2.9Å; S31-T33 PolarHBondContact OG-OG1 2.96Å |
| 32 | E | 81.4 | Confident | 86.1 | Confident | 141 Ų | 141 | 65.6 Ų | 65.6 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 55 | 15.4 | -172.7 | -56.7 | -169.8 | 159 | 0 | 0 | 114.1 | R28 | R28-E32 PolarHBondContact NH1-O 3.19Å; R28-E32 WeakPolarHBondContact O-CA 3.46Å; R28-E32 PolarHBondContact O-N 3.14Å |
| 33 | T | 83.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | trans | -111 | 165.6 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | R28 S31 | R28-T33 VanDerWaalsContact CA-O 3.25Å; R28-T33 WeakPolarHBondContact CA-O 3.41Å; R28-T33 PolarHBondContact NE-O 3.39Å; S31-T33 PolarHBondContact O-N 2.9Å; S31-T33 PolarHBondContact OG-OG1 2.96Å | ||
| 34 | F | 80.3 | Confident | 84 | Confident | 82 Ų | 82 | 72 Ų | 72 | 36% | 0.36 | 38% | 0.377 | S | S | . | . | trans | -110.5 | 140.3 | 170.4 | -168.5 | -102 | 0 | 0 | 0 | 109.4 | A24 D36 S158 L159 | A24-F34 HydrophobicContact CB-CE2 4.01Å; F34-D36 PolarHBondContact O-N 3.17Å; F34-S158 WeakPolarHBondContact CD2-O 3.41Å; F34-L159 HydrophobicContact CD1-CD1 4.11Å; F34-L159 HydrophobicContact CD2-CB 4.45Å; F34-L159 HydrophobicContact CD2-CD1 4.49Å; F34-L159 HydrophobicContact CE1-CD1 4.08Å; F34-L159 HydrophobicContact CE2-CB 4.05Å; F34-L159 HydrophobicContact CE2-CD1 4.44Å; F34-L159 HydrophobicContact CG-CD1 4.31Å; F34-L159 HydrophobicContact CZ-CB 4.34Å; F34-L159 HydrophobicContact CZ-CD1 4.24Å | ||
| 35 | P | 80.1 | Confident | 83.5 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | trans | -64.9 | 128.1 | 178.3 | -17.4 | 29.1 | 0 | 0 | 0 | 111.9 | A24 V27 S37 | A24-P35 HydrophobicContact CB-CG 4.36Å; V27-P35 HydrophobicContact CB-CG 4.21Å; V27-P35 HydrophobicContact CG1-CG 4.11Å; V27-P35 HydrophobicContact CG2-CG 4.4Å; P35-S37 PolarHBondContact O-N 2.78Å | ||
| 36 | D | 76.1 | Confident | 83.2 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 92% | 0.92 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -68.3 | -22.1 | 178.5 | -61.3 | -43.6 | 0 | 0 | 0 | 113.3 | F34 | F34-D36 PolarHBondContact O-N 3.17Š|
| 37 | S | 77.9 | Confident | 83 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -145.2 | 147.4 | 180 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | P35 | P35-S37 PolarHBondContact O-N 2.78Š|
| 38 | Y | 74.9 | Confident | 83.1 | Confident | 143 Ų | 143 | 79.5 Ų | 79.5 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | trans | -78.4 | 124.2 | 174.1 | 176.9 | -107 | 0 | 0 | 0 | 110.8 | A19 P40 | A19-Y38 HydrophobicContact CB-CE2 4.44Å; Y38-P40 HydrophobicContact CE1-CG 3.88Å | ||
| 39 | K | 76.9 | Confident | 83 | Confident | 162 Ų | 162 | 82 Ų | 82 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | trans | -121.7 | 125.9 | 168.3 | -66.5 | -176.7 | -178.7 | 177.2 | 0 | 108.7 | T41 | K39-T41 PolarHBondContact O-N 2.81Š| ||
| 40 | P | 77.4 | Confident | 83 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 64% | 0.643 | 44% | 0.442 | S | S | * | . | trans | -60.1 | 124 | 177.4 | -23.7 | 32.9 | 0 | 0 | 0 | 112 | Y38 | Y38-P40 HydrophobicContact CE1-CG 3.88Š| ||
| 41 | T | 79.9 | Confident | 82.9 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 15% | 0.147 | 46% | 0.459 | C | S | . | . | trans | -75.7 | 133.5 | 177.6 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | T23 K39 E44 D63 A65 | T23-T41 PolarHBondContact OG1-OG1 3.22Å; K39-T41 PolarHBondContact O-N 2.81Å; T41-E44 HydrophobicContact CG2-CB 4.45Å; T41-D63 HydrophobicContact CG2-CB 4.42Å; T41-D63 WeakPolarHBondContact CG2-OD2 3.46Å; T41-D63 PolarHBondContact OG1-OD2 2.99Å; T41-A65 WeakPolarHBondContact O-CA 3.45Å; T41-A65 WeakPolarHBondContact O-CB 3.38Å | ||
| 42 | V | 73.6 | Confident | 83.1 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -90.1 | -56.1 | 164.9 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | F70 | V42-F70 HydrophobicContact CB-CZ 4.43Å; V42-F70 HydrophobicContact CG1-CD1 4.39Å; V42-F70 HydrophobicContact CG1-CE1 3.74Å; V42-F70 HydrophobicContact CG1-CZ 4.12Å; V42-F70 HydrophobicContact CG2-CE1 4.42Å; V42-F70 HydrophobicContact CG2-CZ 3.98Å |
| 43 | F | 67.3 | Low | 83.5 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 138 | 175.3 | -178.9 | -117.2 | 0 | 0 | 0 | 109.8 | N45 W62 D63 S77 | F43-N45 WeakPolarHBondContact CE1-ND2 3.39Å; F43-N45 WeakPolarHBondContact CE1-OD1 3.44Å; F43-N45 VanDerWaalsContact CE2-OD1 3.29Å; F43-N45 WeakPolarHBondContact CE2-OD1 3.22Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.2Å; F43-N45 WeakPolarHBondContact CZ-OD1 3.42Å; F43-W62 AromaticContact CE2-CD1 3.58Å; F43-W62 HydrophobicContact CE2-CG 4.38Å; F43-W62 AromaticContact CZ-CD1 3.45Å; F43-W62 VanDerWaalsContact CZ-CD1 3.45Å; F43-W62 HydrophobicContact CZ-CG 4.46Å; F43-W62 AromaticContact CZ-NE1 3.76Å; F43-D63 WeakPolarHBondContact CD2-O 3.2Å; F43-S77 WeakPolarHBondContact CD2-OG 3.43Å; F43-S77 WeakPolarHBondContact CE2-OG 3.49Å |
| 44 | E | 81.8 | Confident | 83.7 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.8 | 174.8 | -167.3 | 169.6 | 175.5 | 0 | 0 | 110.2 | T41 D63 | T41-E44 HydrophobicContact CG2-CB 4.45Å; E44-D63 HydrophobicContact CB-CB 4.32Å; E44-D63 PolarHBondContact N-O 3.32Å; E44-D63 PolarHBondContact O-N 3.44Å |
| 45 | N | 85.9 | Confident | 84.2 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 40% | 0.401 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.2 | 175.6 | -66.1 | -19.6 | 0 | 0 | 0 | 109.9 | F43 L61 W62 | F43-N45 WeakPolarHBondContact CE1-ND2 3.39Å; F43-N45 WeakPolarHBondContact CE1-OD1 3.44Å; F43-N45 VanDerWaalsContact CE2-OD1 3.29Å; F43-N45 WeakPolarHBondContact CE2-OD1 3.22Å; F43-N45 WeakPolarHBondContact CZ-ND2 3.2Å; F43-N45 WeakPolarHBondContact CZ-OD1 3.42Å; N45-L61 VanDerWaalsContact CA-O 3.3Å; N45-L61 WeakPolarHBondContact CA-O 3.38Å; N45-W62 PolarHBondContact ND2-NE1 2.97Å; N45-W62 VanDerWaalsContact OD1-CG 3.26Å; N45-W62 PolarHBondContact OD1-NE1 2.76Å |
| 46 | T | 91.1 | Very high | 84.8 | Confident | 43 Ų | 43 | 81 Ų | 81 | 26% | 0.264 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | T30 L61 | T30-T46 HydrophobicContact CG2-CG2 4.03Å; T46-L61 PolarHBondContact N-O 3.42Å; T46-L61 PolarHBondContact O-N 3.37Å |
| 47 | G | 91.6 | Very high | 85.7 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | L59 | G47-L59 WeakPolarHBondContact CA-O 3.39Å |
| 48 | V | 94.2 | Very high | 86.5 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 20% | 0.2 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.7 | 170.2 | -63.3 | 0 | 0 | 0 | 0 | 110.1 | F29 T30 V50 L59 | F29-V48 HydrophobicContact CE1-CG2 3.67Å; F29-V48 HydrophobicContact CZ-CG2 4.2Å; T30-V48 HydrophobicContact CG2-CG1 3.84Å; V48-V50 HydrophobicContact CG2-CG1 4.08Å; V48-L59 HydrophobicContact CG2-CB 4.19Å; V48-L59 HydrophobicContact CG2-CD2 4.24Å; V48-L59 HydrophobicContact CG2-CG 4.42Å; V48-L59 PolarHBondContact N-O 3.48Å; V48-L59 PolarHBondContact O-N 3.44Å |
| 49 | E | 94.4 | Very high | 87.6 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.3 | 172.6 | -65.2 | -59.1 | 132.8 | 0 | 0 | 109.5 | Q56 S58 | E49-Q56 WeakPolarHBondContact OE2-CG 3.33Å; E49-Q56 PolarHBondContact OE2-NE2 2.93Å; E49-S58 WeakPolarHBondContact OE1-CA 3.24Å; E49-S58 WeakPolarHBondContact OE1-CB 3.41Å; E49-S58 PolarHBondContact OE1-OG 3.17Å |
| 50 | V | 93.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.9 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | F29 V48 I57 L59 V172 | F29-V50 HydrophobicContact CZ-CG1 4.25Å; V48-V50 HydrophobicContact CG2-CG1 4.08Å; V50-I57 HydrophobicContact CG2-CB 3.83Å; V50-I57 HydrophobicContact CG2-CG2 4.19Å; V50-I57 PolarHBondContact N-O 3.26Å; V50-I57 PolarHBondContact O-N 3.49Å; V50-L59 HydrophobicContact CG1-CB 4.48Å; V50-L59 HydrophobicContact CG1-CD2 4.24Å; V50-L59 HydrophobicContact CG2-CB 4.24Å; V50-V172 HydrophobicContact CG2-CG1 4.39Å; V50-V172 HydrophobicContact CG2-CG2 4.2Å |
| 51 | Y | 91.8 | Very high | 89.5 | Confident | 164 Ų | 164 | 52.7 Ų | 52.7 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.9 | 179 | -70.2 | -94.4 | 0 | 0 | 0 | 110.5 | V55 Q56 | Y51-V55 WeakPolarHBondContact CA-O 3.22Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD1-CG 4.47Å; Y51-Q56 HydrophobicContact CE1-CB 3.68Å; Y51-Q56 HydrophobicContact CE1-CG 3.91Å; Y51-Q56 HydrophobicContact CE2-CG 4.49Å; Y51-Q56 PolarHBondContact OH-OE1 3.28Å |
| 52 | M | 91.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.059 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 123.5 | 175.6 | -172.4 | 165.5 | -68.3 | 0 | 0 | 111.2 | G54 V55 I57 E169 V172 R173 F176 | M52-G54 PolarHBondContact O-N 3.26Å; M52-G54 VanDerWaalsContact O-N 3.17Å; M52-V55 PolarHBondContact N-O 2.92Å; M52-V55 WeakPolarHBondContact O-CB 3.36Å; M52-V55 PolarHBondContact O-N 2.97Å; M52-I57 HydrophobicContact CB-CD1 3.7Å; M52-E169 HydrophobicContact CE-CG 3.96Å; M52-E169 WeakPolarHBondContact CE-O 3.36Å; M52-V172 HydrophobicContact CE-CB 3.75Å; M52-V172 HydrophobicContact CE-CG1 3.58Å; M52-V172 HydrophobicContact SD-CG1 3.94Å; M52-R173 HydrophobicContact CE-CB 3.83Å; M52-R173 WeakPolarHBondContact SD-CA 3.33Å; M52-R173 HydrophobicContact SD-CB 3.74Å; M52-R173 HydrophobicContact SD-CG 4.14Å; M52-F176 HydrophobicContact CG-CD1 4.27Å; M52-F176 HydrophobicContact CG-CE1 4.34Å; M52-F176 HydrophobicContact SD-CB 3.98Å; M52-F176 HydrophobicContact SD-CD1 4.04Å; M52-F176 HydrophobicContact SD-CG 4.07Å |
| 53 | D | 89.6 | Confident | 91.3 | Very high | 93 Ų | 93 | 50 Ų | 50 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.5 | -176.3 | -60.5 | -6.7 | 0 | 0 | 0 | 113 | V55 F176 K180 | D53-V55 VanDerWaalsContact C-N 3.28Å; D53-V55 PolarHBondContact O-N 2.74Å; D53-F176 HydrophobicContact CB-CE1 4.11Å; D53-F176 HydrophobicContact CB-CZ 4.08Å; D53-F176 WeakPolarHBondContact OD2-CE1 3.37Å; D53-K180 IonicContact OD2-NZ 3.94Å; D53-K180 PolarHBondContact OD2-NZ 2.91Å |
| 54 | G | 88.1 | Confident | 92.6 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 81% | 0.814 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M52 | M52-G54 PolarHBondContact O-N 3.26Å; M52-G54 VanDerWaalsContact O-N 3.17Å |
| 55 | V | 89.8 | Confident | 93.1 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.4 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | L5 Y51 M52 D53 I57 F176 | L5-V55 HydrophobicContact CB-CG1 4.2Å; L5-V55 HydrophobicContact CB-CG2 4.13Å; L5-V55 HydrophobicContact CD1-CG2 4.27Å; Y51-V55 WeakPolarHBondContact CA-O 3.22Å; M52-V55 PolarHBondContact N-O 2.92Å; M52-V55 WeakPolarHBondContact O-CB 3.36Å; M52-V55 PolarHBondContact O-N 2.97Å; D53-V55 VanDerWaalsContact C-N 3.28Å; D53-V55 PolarHBondContact O-N 2.74Å; V55-I57 HydrophobicContact CG1-CG1 4.33Å; V55-F176 HydrophobicContact CB-CE2 3.97Å; V55-F176 HydrophobicContact CB-CZ 4.45Å; V55-F176 HydrophobicContact CG1-CE2 4.28Å; V55-F176 HydrophobicContact CG2-CE2 3.96Å; V55-F176 HydrophobicContact CG2-CZ 4.11Å |
| 56 | Q | 92.6 | Very high | 93.3 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133 | 170 | -171.7 | 178.8 | -18.3 | 0 | 0 | 109.8 | E49 Y51 | E49-Q56 WeakPolarHBondContact OE2-CG 3.33Å; E49-Q56 PolarHBondContact OE2-NE2 2.93Å; Y51-Q56 HydrophobicContact CD1-CB 4.07Å; Y51-Q56 HydrophobicContact CD1-CG 4.47Å; Y51-Q56 HydrophobicContact CE1-CB 3.68Å; Y51-Q56 HydrophobicContact CE1-CG 3.91Å; Y51-Q56 HydrophobicContact CE2-CG 4.49Å; Y51-Q56 PolarHBondContact OH-OE1 3.28Å |
| 57 | I | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.5 | -175.6 | -57.7 | 179.2 | 0 | 0 | 0 | 108.9 | L8 V10 V50 M52 V55 L59 V172 F176 | L8-I57 HydrophobicContact CB-CG1 4.23Å; L8-I57 HydrophobicContact CD2-CD1 4.05Å; L8-I57 HydrophobicContact CD2-CG1 4.3Å; L8-I57 CarbonylContact O-C 3.55Å; L8-I57 WeakPolarHBondContact O-CA 3.27Å; L8-I57 WeakPolarHBondContact O-CG2 3.37Å; V10-I57 HydrophobicContact CB-CG2 4.16Å; V10-I57 HydrophobicContact CG2-CG2 3.66Å; V50-I57 HydrophobicContact CG2-CB 3.83Å; V50-I57 HydrophobicContact CG2-CG2 4.19Å; V50-I57 PolarHBondContact N-O 3.26Å; V50-I57 PolarHBondContact O-N 3.49Å; M52-I57 HydrophobicContact CB-CD1 3.7Å; V55-I57 HydrophobicContact CG1-CG1 4.33Å; I57-L59 PolarHBondContact O-N 2.83Å; I57-V172 HydrophobicContact CD1-CG1 3.34Å; I57-V172 HydrophobicContact CG2-CG1 4.17Å; I57-F176 HydrophobicContact CD1-CD2 3.96Å; I57-F176 HydrophobicContact CD1-CE2 4.48Å |
| 58 | S | 96.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.9 | 171.1 | -164.4 | 0 | 0 | 0 | 0 | 109 | L8 S9 V10 E49 | L8-S58 PolarHBondContact O-N 3.11Å; S9-S58 WeakPolarHBondContact CA-O 3.5Å; S9-S58 PolarHBondContact OG-O 3.11Å; V10-S58 PolarHBondContact N-O 2.98Å; E49-S58 WeakPolarHBondContact OE1-CA 3.24Å; E49-S58 WeakPolarHBondContact OE1-CB 3.41Å; E49-S58 PolarHBondContact OE1-OG 3.17Å |
| 59 | L | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 107.2 | -177.7 | 175.6 | 60.9 | 0 | 0 | 0 | 109.6 | V10 C12 F29 G47 V48 V50 I57 L61 F168 V172 | V10-L59 HydrophobicContact CB-CD1 4.12Å; V10-L59 HydrophobicContact CG1-CD1 3.94Å; C12-L59 HydrophobicContact CB-CD1 3.9Å; F29-L59 HydrophobicContact CE1-CD2 3.89Å; F29-L59 HydrophobicContact CZ-CD2 4.08Å; G47-L59 WeakPolarHBondContact CA-O 3.39Å; V48-L59 HydrophobicContact CG2-CB 4.19Å; V48-L59 HydrophobicContact CG2-CD2 4.24Å; V48-L59 HydrophobicContact CG2-CG 4.42Å; V48-L59 PolarHBondContact N-O 3.48Å; V48-L59 PolarHBondContact O-N 3.44Å; V50-L59 HydrophobicContact CG1-CB 4.48Å; V50-L59 HydrophobicContact CG1-CD2 4.24Å; V50-L59 HydrophobicContact CG2-CB 4.24Å; I57-L59 PolarHBondContact O-N 2.83Å; L59-L61 HydrophobicContact CD1-CD2 4.04Å; L59-L61 HydrophobicContact CD2-CD2 3.96Å; L59-L61 HydrophobicContact CG-CD2 3.76Å; L59-L61 HydrophobicContact CG-CG 4.35Å; L59-F168 HydrophobicContact CD2-CD1 4.49Å; L59-V172 HydrophobicContact CD1-CG2 4.03Å; L59-V172 HydrophobicContact CD2-CG2 3.9Å; L59-V172 HydrophobicContact CG-CG2 4.46Å |
| 60 | G | 97.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 137.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V10 C12 W62 | V10-G60 PolarHBondContact O-N 3.49Å; C12-G60 PolarHBondContact N-O 3.07Å; G60-W62 VanDerWaalsContact C-CE3 3.42Å; G60-W62 VanDerWaalsContact CA-CZ3 3.41Å; G60-W62 WeakPolarHBondContact O-CZ3 3.44Å |
| 61 | L | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124 | -174.1 | -55.8 | 174.8 | 0 | 0 | 0 | 109.3 | C12 L26 F29 T30 N45 T46 L59 F168 | C12-L61 HydrophobicContact CB-CD2 4.03Å; C12-L61 WeakPolarHBondContact O-CA 3.34Å; L26-L61 HydrophobicContact CD1-CB 3.72Å; L26-L61 HydrophobicContact CD1-CD1 4.45Å; L26-L61 HydrophobicContact CD2-CD1 4.44Å; L26-L61 HydrophobicContact CG-CB 4.19Å; L26-L61 HydrophobicContact CG-CD1 4Å; F29-L61 HydrophobicContact CD1-CD1 3.74Å; F29-L61 HydrophobicContact CE1-CD1 3.96Å; T30-L61 HydrophobicContact CG2-CD1 3.61Å; N45-L61 VanDerWaalsContact CA-O 3.3Å; N45-L61 WeakPolarHBondContact CA-O 3.38Å; T46-L61 PolarHBondContact N-O 3.42Å; T46-L61 PolarHBondContact O-N 3.37Å; L59-L61 HydrophobicContact CD1-CD2 4.04Å; L59-L61 HydrophobicContact CD2-CD2 3.96Å; L59-L61 HydrophobicContact CG-CD2 3.76Å; L59-L61 HydrophobicContact CG-CG 4.35Å; L61-F168 HydrophobicContact CD1-CE1 4.47Å; L61-F168 HydrophobicContact CD2-CD1 3.86Å; L61-F168 HydrophobicContact CD2-CE1 3.67Å |
| 62 | W | 96.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 106.8 | 178.6 | -82.2 | -115.7 | 0 | 0 | 0 | 109.2 | K11 C12 V13 L14 F43 N45 G60 | K11-W62 HydrophobicContact CB-CE3 4.48Å; K11-W62 HydrophobicContact CB-CZ3 4.03Å; K11-W62 HydrophobicContact CD-CD2 4.09Å; K11-W62 HydrophobicContact CD-CE3 3.99Å; K11-W62 HydrophobicContact CD-CH2 3.92Å; K11-W62 HydrophobicContact CD-CZ2 4.02Å; K11-W62 HydrophobicContact CD-CZ3 3.85Å; K11-W62 VanDerWaalsContact CE-CD2 3.47Å; K11-W62 VanDerWaalsContact CE-CE2 3.45Å; K11-W62 HydrophobicContact CG-CD2 4.09Å; K11-W62 HydrophobicContact CG-CE3 3.57Å; K11-W62 HydrophobicContact CG-CH2 4.09Å; K11-W62 HydrophobicContact CG-CZ3 3.51Å; C12-W62 PolarHBondContact O-N 3.49Å; V13-W62 HydrophobicContact CB-CB 4.35Å; V13-W62 HydrophobicContact CG1-CB 4.29Å; V13-W62 HydrophobicContact CG2-CB 3.96Å; V13-W62 HydrophobicContact CG2-CG 4.43Å; L14-W62 PolarHBondContact N-O 2.81Å; F43-W62 AromaticContact CE2-CD1 3.58Å; F43-W62 HydrophobicContact CE2-CG 4.38Å; F43-W62 AromaticContact CZ-CD1 3.45Å; F43-W62 VanDerWaalsContact CZ-CD1 3.45Å; F43-W62 HydrophobicContact CZ-CG 4.46Å; F43-W62 AromaticContact CZ-NE1 3.76Å; N45-W62 PolarHBondContact ND2-NE1 2.97Å; N45-W62 VanDerWaalsContact OD1-CG 3.26Å; N45-W62 PolarHBondContact OD1-NE1 2.76Å; G60-W62 VanDerWaalsContact C-CE3 3.42Å; G60-W62 VanDerWaalsContact CA-CZ3 3.41Å; G60-W62 WeakPolarHBondContact O-CZ3 3.44Å |
| 63 | D | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.5 | 170.4 | -168.4 | 21.2 | 0 | 0 | 0 | 110.3 | K22 T23 L26 T41 F43 E44 | K22-D63 WeakPolarHBondContact CB-OD1 3.39Å; T23-D63 VanDerWaalsContact CA-OD2 3.32Å; T23-D63 WeakPolarHBondContact CA-OD2 3.49Å; T23-D63 VanDerWaalsContact CB-OD2 3.23Å; T23-D63 WeakPolarHBondContact CB-OD2 3.46Å; T23-D63 WeakPolarHBondContact CG2-OD2 3.3Å; T23-D63 PolarHBondContact OG1-OD2 3.03Å; L26-D63 HydrophobicContact CD1-CB 3.91Å; T41-D63 HydrophobicContact CG2-CB 4.42Å; T41-D63 WeakPolarHBondContact CG2-OD2 3.46Å; T41-D63 PolarHBondContact OG1-OD2 2.99Å; F43-D63 WeakPolarHBondContact CD2-O 3.2Å; E44-D63 HydrophobicContact CB-CB 4.32Å; E44-D63 PolarHBondContact N-O 3.32Å; E44-D63 PolarHBondContact O-N 3.44Å |
| 64 | T | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.2 | -174.8 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | V13 L14 K22 G66 R74 | V13-T64 HydrophobicContact CG1-CG2 3.85Å; L14-T64 WeakPolarHBondContact O-CB 3.36Å; L14-T64 WeakPolarHBondContact O-CG2 3.38Å; L14-T64 PolarHBondContact O-OG1 3.09Å; K22-T64 WeakPolarHBondContact CE-O 3.34Å; K22-T64 PolarHBondContact NZ-O 3.08Å; T64-G66 PolarHBondContact O-N 2.96Å; T64-R74 HydrophobicContact CG2-CG 4.2Å |
| 65 | A | 91.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -63 | 129.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T41 N67 F70 R74 | T41-A65 WeakPolarHBondContact O-CA 3.45Å; T41-A65 WeakPolarHBondContact O-CB 3.38Å; A65-N67 VanDerWaalsContact C-N 3.29Å; A65-N67 PolarHBondContact O-N 2.88Å; A65-F70 HydrophobicContact CB-CB 3.89Å; A65-F70 HydrophobicContact CB-CD2 3.27Å; A65-F70 HydrophobicContact CB-CE2 3.91Å; A65-F70 HydrophobicContact CB-CG 3.7Å; A65-R74 PolarHBondContact O-NE 2.87Å; A65-R74 PolarHBondContact O-NH2 3.25Å | ||
| 66 | G | 88.8 | Confident | 93.3 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | trans | -79.2 | -10.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G16 T64 | G16-G66 WeakPolarHBondContact O-CA 3.28Å; T64-G66 PolarHBondContact O-N 2.96Å | ||
| 67 | N | 89.8 | Confident | 93.4 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 34% | 0.342 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -79.4 | 139.9 | -175.2 | -171.9 | -30.7 | 0 | 0 | 0 | 110.4 | C18 A65 N69 F70 R74 | C18-N67 VanDerWaalsContact SG-CA 3.6Å; C18-N67 VanDerWaalsContact SG-CB 3.59Å; C18-N67 PolarHBondContact SG-N 3.33Å; A65-N67 VanDerWaalsContact C-N 3.29Å; A65-N67 PolarHBondContact O-N 2.88Å; N67-N69 PolarHBondContact O-N 3.31Å; N67-N69 PolarHBondContact OD1-N 3.47Å; N67-F70 HydrophobicContact CB-CD2 4.06Å; N67-F70 HydrophobicContact CB-CE2 4.42Å; N67-F70 PolarHBondContact O-N 2.95Å; N67-F70 VanDerWaalsContact O-N 3.1Å; N67-R74 PolarHBondContact O-NH2 3.1Å |
| 68 | D | 91 | Very high | 93.5 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -64 | -20.9 | 177.5 | -75.2 | -40 | 0 | 0 | 0 | 114.7 | F70 K71 K102 | D68-F70 PolarHBondContact O-N 2.98Å; D68-K71 VanDerWaalsContact O-CB 3.23Å; D68-K71 WeakPolarHBondContact O-CB 3.32Å; D68-K71 PolarHBondContact O-N 2.77Å; D68-K102 WeakPolarHBondContact OD1-CE 3.41Å; D68-K102 IonicContact OD1-NZ 3.71Å; D68-K102 PolarHBondContact OD1-NZ 2.69Å; D68-K102 IonicContact OD2-NZ 2.82Å; D68-K102 PolarHBondContact OD2-NZ 2.85Å; D68-K102 VanDerWaalsContact OD2-NZ 3.08Å |
| 69 | N | 91.5 | Very high | 93.3 | Very high | 137 Ų | 137 | 54.9 Ų | 54.9 | 73% | 0.733 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -56.5 | -23.4 | 170.4 | -68.5 | -10.6 | 0 | 0 | 0 | 112.8 | N67 | N67-N69 PolarHBondContact O-N 3.31Å; N67-N69 PolarHBondContact OD1-N 3.47Å |
| 70 | F | 90.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 63 Ų | 63 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -103.3 | 4.3 | 179 | -59.1 | -72.4 | 0 | 0 | 0 | 113.7 | V42 A65 N67 D68 Q72 I73 R74 | V42-F70 HydrophobicContact CB-CZ 4.43Å; V42-F70 HydrophobicContact CG1-CD1 4.39Å; V42-F70 HydrophobicContact CG1-CE1 3.74Å; V42-F70 HydrophobicContact CG1-CZ 4.12Å; V42-F70 HydrophobicContact CG2-CE1 4.42Å; V42-F70 HydrophobicContact CG2-CZ 3.98Å; A65-F70 HydrophobicContact CB-CB 3.89Å; A65-F70 HydrophobicContact CB-CD2 3.27Å; A65-F70 HydrophobicContact CB-CE2 3.91Å; A65-F70 HydrophobicContact CB-CG 3.7Å; N67-F70 HydrophobicContact CB-CD2 4.06Å; N67-F70 HydrophobicContact CB-CE2 4.42Å; N67-F70 PolarHBondContact O-N 2.95Å; N67-F70 VanDerWaalsContact O-N 3.1Å; D68-F70 PolarHBondContact O-N 2.98Å; F70-Q72 PolarHBondContact O-N 3.46Å; F70-Q72 VanDerWaalsContact O-N 3.14Å; F70-I73 HydrophobicContact CB-CD1 4.37Å; F70-I73 HydrophobicContact CB-CG1 4.01Å; F70-I73 HydrophobicContact CD1-CD1 3.58Å; F70-I73 HydrophobicContact CD1-CG1 4.11Å; F70-I73 HydrophobicContact CE1-CD1 4.39Å; F70-I73 HydrophobicContact CG-CD1 4.43Å; F70-I73 WeakPolarHBondContact O-CG1 3.47Å; F70-I73 PolarHBondContact O-N 3.34Å; F70-R74 WeakPolarHBondContact O-CB 3.26Å; F70-R74 PolarHBondContact O-N 3.32Å |
| 71 | K | 91.8 | Very high | 93.2 | Very high | 107 Ų | 107 | 62.8 Ų | 62.8 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -36.8 | -176.2 | -176.8 | -178.6 | 178 | -174.9 | 0 | 113.1 | D68 P75 | D68-K71 VanDerWaalsContact O-CB 3.23Å; D68-K71 WeakPolarHBondContact O-CB 3.32Å; D68-K71 PolarHBondContact O-N 2.77Å; K71-P75 WeakPolarHBondContact O-CD 3.44Å |
| 72 | Q | 91.3 | Very high | 93.3 | Very high | 167 Ų | 167 | 65.1 Ų | 65.1 | 78% | 0.78 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.3 | -178.7 | -61.4 | -60.5 | -17.4 | 0 | 0 | 113.8 | F70 | F70-Q72 PolarHBondContact O-N 3.46Å; F70-Q72 VanDerWaalsContact O-N 3.14Å |
| 73 | I | 91.3 | Very high | 93.4 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -26.5 | -178.3 | 67.7 | 164.4 | 0 | 0 | 0 | 112.8 | F70 P75 R76 | F70-I73 HydrophobicContact CB-CD1 4.37Å; F70-I73 HydrophobicContact CB-CG1 4.01Å; F70-I73 HydrophobicContact CD1-CD1 3.58Å; F70-I73 HydrophobicContact CD1-CG1 4.11Å; F70-I73 HydrophobicContact CE1-CD1 4.39Å; F70-I73 HydrophobicContact CG-CD1 4.43Å; F70-I73 WeakPolarHBondContact O-CG1 3.47Å; F70-I73 PolarHBondContact O-N 3.34Å; I73-P75 VanDerWaalsContact C-N 3.28Å; I73-R76 VanDerWaalsContact O-CB 3.3Å; I73-R76 WeakPolarHBondContact O-CB 3.39Å; I73-R76 WeakPolarHBondContact O-CG 3.4Å; I73-R76 PolarHBondContact O-N 3.25Å |
| 74 | R | 94.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -36.6 | 179.8 | -157.1 | -174.7 | -57.3 | 130.4 | 0.3 | 113.9 | T64 A65 N67 F70 R76 S77 Y78 W103 E106 | T64-R74 HydrophobicContact CG2-CG 4.2Å; A65-R74 PolarHBondContact O-NE 2.87Å; A65-R74 PolarHBondContact O-NH2 3.25Å; N67-R74 PolarHBondContact O-NH2 3.1Å; F70-R74 WeakPolarHBondContact O-CB 3.26Å; F70-R74 PolarHBondContact O-N 3.32Å; R74-R76 PolarHBondContact O-N 3.42Å; R74-R76 VanDerWaalsContact O-N 3.09Å; R74-S77 VanDerWaalsContact O-CB 3.31Å; R74-S77 WeakPolarHBondContact O-CB 3.49Å; R74-S77 PolarHBondContact O-N 3.05Å; R74-S77 PolarHBondContact O-OG 3.36Å; R74-Y78 WeakPolarHBondContact CD-OH 3.4Å; R74-Y78 HydrophobicContact CG-CE1 4.1Å; R74-W103 VanDerWaalsContact CZ-CH2 3.48Å; R74-W103 VanDerWaalsContact NH1-CH2 3.33Å; R74-E106 WeakPolarHBondContact CD-OE1 3.2Å; R74-E106 IonicContact CZ-OE1 3.08Å; R74-E106 IonicContact NH1-OE1 2.61Å; R74-E106 PolarHBondContact NH1-OE1 2.7Å; R74-E106 IonicContact NH1-OE2 3.79Å; R74-E106 PolarHBondContact NH1-OE2 3.12Å |
| 75 | P | 93.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.8 | -26.5 | 173.9 | -32.6 | 39.5 | 0 | 0 | 0 | 115.4 | K71 I73 S77 Y78 | K71-P75 WeakPolarHBondContact O-CD 3.44Å; I73-P75 VanDerWaalsContact C-N 3.28Å; P75-S77 PolarHBondContact O-N 3.34Å; P75-Y78 HydrophobicContact CB-CD2 4.4Å; P75-Y78 WeakPolarHBondContact O-CB 3.45Å; P75-Y78 PolarHBondContact O-N 2.91Å; P75-Y78 VanDerWaalsContact O-N 3.09Å |
| 76 | R | 92.8 | Very high | 94.1 | Very high | 186 Ų | 186 | 62.1 Ų | 62.1 | 70% | 0.702 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.9 | -35 | 175.3 | -62.2 | -178.5 | 178.8 | -177.2 | -1.2 | 111.6 | I73 R74 Y78 | I73-R76 VanDerWaalsContact O-CB 3.3Å; I73-R76 WeakPolarHBondContact O-CB 3.39Å; I73-R76 WeakPolarHBondContact O-CG 3.4Å; I73-R76 PolarHBondContact O-N 3.25Å; R74-R76 PolarHBondContact O-N 3.42Å; R74-R76 VanDerWaalsContact O-N 3.09Å; R76-Y78 VanDerWaalsContact C-N 3.25Å; R76-Y78 PolarHBondContact O-N 3.22Å |
| 77 | S | 94.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.3 | -25.8 | 176.3 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | K11 F43 R74 P75 | K11-S77 WeakPolarHBondContact CE-O 3.16Å; K11-S77 PolarHBondContact NZ-O 3.36Å; F43-S77 WeakPolarHBondContact CD2-OG 3.43Å; F43-S77 WeakPolarHBondContact CE2-OG 3.49Å; R74-S77 VanDerWaalsContact O-CB 3.31Å; R74-S77 WeakPolarHBondContact O-CB 3.49Å; R74-S77 PolarHBondContact O-N 3.05Å; R74-S77 PolarHBondContact O-OG 3.36Å; P75-S77 PolarHBondContact O-N 3.34Å |
| 78 | Y | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76 | -22.1 | -177.7 | -60 | -16.2 | 0 | 0 | 0 | 114.1 | V13 V15 R74 P75 R76 Q80 A81 E106 N110 L111 | V13-Y78 HydrophobicContact CG1-CD1 3.92Å; V13-Y78 HydrophobicContact CG1-CE1 4.02Å; V15-Y78 HydrophobicContact CG1-CE1 3.49Å; V15-Y78 VanDerWaalsContact CG1-CE1 3.49Å; V15-Y78 WeakPolarHBondContact CG1-OH 3.36Å; R74-Y78 WeakPolarHBondContact CD-OH 3.4Å; R74-Y78 HydrophobicContact CG-CE1 4.1Å; P75-Y78 HydrophobicContact CB-CD2 4.4Å; P75-Y78 WeakPolarHBondContact O-CB 3.45Å; P75-Y78 PolarHBondContact O-N 2.91Å; P75-Y78 VanDerWaalsContact O-N 3.09Å; R76-Y78 VanDerWaalsContact C-N 3.25Å; R76-Y78 PolarHBondContact O-N 3.22Å; Y78-Q80 PolarHBondContact O-N 2.86Å; Y78-A81 VanDerWaalsContact O-CB 3.29Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.27Å; Y78-E106 HydrophobicContact CE2-CG 4.23Å; Y78-E106 PolarHBondContact OH-OE1 3.48Å; Y78-N110 HydrophobicContact CD2-CB 3.62Å; Y78-N110 HydrophobicContact CE2-CB 4.43Å; Y78-N110 HydrophobicContact CG-CB 4.47Å; Y78-L111 HydrophobicContact CG-CD1 4.29Å; Y78-L111 WeakPolarHBondContact O-CD2 3.24Å |
| 79 | Q | 93.7 | Very high | 95.4 | Very high | 130 Ų | 130 | 54.7 Ų | 54.7 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.5 | -176.4 | -69.1 | -176.4 | -19.3 | 0 | 0 | 111 | K11 A81 | K11-Q79 WeakPolarHBondContact CE-O 3.07Å; K11-Q79 PolarHBondContact NZ-O 3.05Å; Q79-A81 PolarHBondContact O-N 2.87Å |
| 80 | Q | 94.6 | Very high | 95.7 | Very high | 172 Ų | 172 | 48.1 Ų | 48.1 | 80% | 0.804 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23 | 179.5 | -53.3 | 171.7 | -47 | 0 | 0 | 114.9 | Y78 D82 | Y78-Q80 PolarHBondContact O-N 2.86Å; Q80-D82 PolarHBondContact O-N 3.48Å |
| 81 | A | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | trans | -63.2 | 135 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V13 Y78 Q79 L111 V114 | V13-A81 HydrophobicContact CG2-CB 3.62Å; Y78-A81 VanDerWaalsContact O-CB 3.29Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.27Å; Q79-A81 PolarHBondContact O-N 2.87Å; A81-L111 HydrophobicContact CB-CD1 3.74Å; A81-L111 HydrophobicContact CB-CD2 4.42Å; A81-V114 VanDerWaalsContact O-CG2 3.23Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å | ||
| 82 | D | 98.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -93.7 | -27.5 | 177.3 | -65.7 | -62.4 | 0 | 0 | 0 | 112.6 | V10 K11 Q80 P115 V175 | V10-D82 HydrophobicContact CG1-CB 4.24Å; K11-D82 PolarHBondContact N-OD2 2.91Å; K11-D82 PolarHBondContact O-N 2.9Å; Q80-D82 PolarHBondContact O-N 3.48Å; D82-P115 VanDerWaalsContact O-CD 3.22Å; D82-P115 WeakPolarHBondContact O-CD 3.17Å; D82-P115 VanDerWaalsContact O-CG 3.27Å; D82-P115 WeakPolarHBondContact O-CG 3.4Å; D82-V175 HydrophobicContact CB-CG1 3.87Å; D82-V175 HydrophobicContact CB-CG2 3.82Å |
| 83 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 147.5 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | V10 K11 C12 V13 P115 L117 A171 V175 | V10-V83 HydrophobicContact CG1-CG1 4.32Å; K11-V83 PolarHBondContact O-N 2.93Å; C12-V83 WeakPolarHBondContact CA-O 3.29Å; C12-V83 HydrophobicContact CB-CG1 3.89Å; V13-V83 PolarHBondContact N-O 2.85Å; V83-P115 HydrophobicContact CB-CG 4.24Å; V83-P115 HydrophobicContact CG2-CG 4.25Å; V83-L117 HydrophobicContact CG2-CD1 4.14Å; V83-L117 HydrophobicContact CG2-CG 4.22Å; V83-A171 HydrophobicContact CG1-CB 4.1Å; V83-A171 HydrophobicContact CG2-CB 4.31Å; V83-V175 HydrophobicContact CB-CG2 3.73Å; V83-V175 HydrophobicContact CG1-CG2 3.88Å |
| 84 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | V13 V15 V107 L111 V114 P115 V116 L117 | V13-V84 CarbonylContact O-C 3.45Å; V13-V84 WeakPolarHBondContact O-CA 3.32Å; V15-V84 HydrophobicContact CG1-CG1 4.32Å; V15-V84 HydrophobicContact CG2-CG1 3.74Å; V84-V107 HydrophobicContact CB-CG1 4.48Å; V84-V107 HydrophobicContact CG1-CG1 4.42Å; V84-V107 HydrophobicContact CG1-CG2 4.09Å; V84-V107 HydrophobicContact CG2-CG1 4.19Å; V84-L111 HydrophobicContact CG2-CD1 3.67Å; V84-V114 HydrophobicContact CG2-CG1 4.08Å; V84-P115 PolarHBondContact N-O 3.12Å; V84-V116 HydrophobicContact CB-CG2 4.23Å; V84-V116 CarbonylContact O-C 3.55Å; V84-V116 WeakPolarHBondContact O-CA 3.49Å; V84-L117 PolarHBondContact O-N 2.76Å |
| 85 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116 | 167 | -56.2 | -176.5 | 0 | 0 | 0 | 108.4 | V13 L14 V15 L117 V119 V167 F168 A171 | V13-L85 PolarHBondContact O-N 2.77Å; L14-L85 WeakPolarHBondContact CA-O 3.32Å; L14-L85 HydrophobicContact CD1-CD1 4.1Å; L14-L85 HydrophobicContact CG-CB 4.12Å; L14-L85 HydrophobicContact CG-CD1 4.05Å; V15-L85 PolarHBondContact N-O 2.69Å; L85-L117 HydrophobicContact CD2-CB 3.89Å; L85-L117 HydrophobicContact CD2-CD1 3.76Å; L85-L117 HydrophobicContact CD2-CG 4.27Å; L85-V119 HydrophobicContact CB-CG2 4.17Å; L85-V119 HydrophobicContact CD2-CG2 4.08Å; L85-V167 HydrophobicContact CD1-CG1 3.67Å; L85-V167 HydrophobicContact CD2-CG1 4.22Å; L85-F168 HydrophobicContact CD1-CD1 4.34Å; L85-F168 HydrophobicContact CD1-CE1 3.94Å; L85-F168 HydrophobicContact CD1-CZ 4.44Å; L85-A171 HydrophobicContact CD2-CB 4.09Å |
| 86 | M | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 100.4 | 178.7 | -152.2 | -177.1 | -79.9 | 0 | 0 | 108.7 | V15 I99 W103 I104 V107 V116 L117 V118 V119 | V15-M86 HydrophobicContact CG2-CB 4.28Å; V15-M86 HydrophobicContact CG2-CG 3.8Å; M86-I99 HydrophobicContact CB-CD1 4.14Å; M86-I99 HydrophobicContact CG-CD1 3.42Å; M86-I99 VanDerWaalsContact CG-CD1 3.42Å; M86-I99 HydrophobicContact SD-CB 4.39Å; M86-I99 HydrophobicContact SD-CD1 3.79Å; M86-I99 HydrophobicContact SD-CG2 3.68Å; M86-W103 HydrophobicContact CE-CB 4.13Å; M86-W103 HydrophobicContact CG-CB 3.85Å; M86-W103 HydrophobicContact SD-CB 3.58Å; M86-W103 VanDerWaalsContact SD-CB 3.58Å; M86-I104 HydrophobicContact CE-CB 4.21Å; M86-I104 HydrophobicContact CE-CD1 4.02Å; M86-I104 HydrophobicContact SD-CB 4.45Å; M86-V107 HydrophobicContact CE-CB 4.07Å; M86-V107 HydrophobicContact CE-CG2 3.82Å; M86-V116 HydrophobicContact CB-CG1 3.96Å; M86-V116 HydrophobicContact CE-CG1 3.7Å; M86-V116 HydrophobicContact CE-CG2 4.37Å; M86-V116 HydrophobicContact SD-CG1 4.41Å; M86-L117 PolarHBondContact N-O 2.93Å; M86-V118 WeakPolarHBondContact O-CA 3.34Å; M86-V119 PolarHBondContact O-N 3.25Å |
| 87 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 140.4 | -168.1 | -57.6 | 0 | 0 | 0 | 0 | 112 | V15 G16 V20 K22 V119 T121 | V15-C87 PolarHBondContact O-N 3.39Å; G16-C87 WeakPolarHBondContact CA-O 3.33Å; V20-C87 HydrophobicContact CG2-CB 4.06Å; K22-C87 HydrophobicContact CD-CB 4.43Å; K22-C87 HydrophobicContact CG-CB 3.9Å; C87-V119 VanDerWaalsContact CA-O 3.31Å; C87-V119 WeakPolarHBondContact CA-O 3.48Å; C87-T121 HydrophobicContact CB-CG2 4.15Å |
| 88 | Y | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156.7 | 167.9 | 78 | -85.1 | 0 | 0 | 0 | 109.4 | V90 L96 V118 V119 A120 T121 I136 G141 Y153 | Y88-V90 HydrophobicContact CE2-CG1 4.44Å; Y88-L96 HydrophobicContact CD1-CD1 3.8Å; Y88-L96 HydrophobicContact CD2-CB 3.85Å; Y88-L96 HydrophobicContact CD2-CD1 4.07Å; Y88-L96 HydrophobicContact CD2-CG 4.5Å; Y88-L96 HydrophobicContact CE1-CD1 3.73Å; Y88-L96 HydrophobicContact CE2-CB 4.23Å; Y88-L96 HydrophobicContact CE2-CD1 4.04Å; Y88-L96 HydrophobicContact CG-CB 4.2Å; Y88-L96 HydrophobicContact CG-CD1 3.96Å; Y88-V118 HydrophobicContact CD1-CG1 3.98Å; Y88-V118 HydrophobicContact CE1-CG1 3.78Å; Y88-V119 WeakPolarHBondContact CD1-O 3.37Å; Y88-V119 PolarHBondContact N-O 2.99Å; Y88-A120 HydrophobicContact CD1-CB 4.45Å; Y88-A120 HydrophobicContact CE1-CB 3.58Å; Y88-A120 HydrophobicContact CE2-CB 4.04Å; Y88-A120 VanDerWaalsContact OH-CB 3.24Å; Y88-A120 WeakPolarHBondContact OH-CB 3.47Å; Y88-T121 PolarHBondContact O-N 3.14Å; Y88-T121 PolarHBondContact O-OG1 2.67Å; Y88-I136 HydrophobicContact CD2-CD1 3.81Å; Y88-I136 HydrophobicContact CE2-CB 4.3Å; Y88-I136 HydrophobicContact CE2-CD1 3.63Å; Y88-I136 HydrophobicContact CE2-CG2 4.03Å; Y88-G141 WeakPolarHBondContact OH-CA 3.15Å; Y88-Y153 HydrophobicContact CE1-CE2 4.03Å; Y88-Y153 PolarHBondContact OH-OH 2.84Å |
| 89 | S | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.6 | 175.4 | 165.1 | 0 | 0 | 0 | 0 | 110.6 | A91 N92 S95 Q122 | S89-A91 PolarHBondContact O-N 3Å; S89-A91 PolarHBondContact OG-N 3.18Å; S89-A91 VanDerWaalsContact OG-N 3.16Å; S89-N92 PolarHBondContact O-N 3.23Å; S89-S95 PolarHBondContact N-OG 3.19Å; S89-S95 PolarHBondContact O-OG 3.44Å; S89-Q122 PolarHBondContact OG-OE1 3.36Å |
| 90 | V | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.1 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | Y88 N92 A120 T121 Q122 T123 R126 C135 I136 | Y88-V90 HydrophobicContact CE2-CG1 4.44Å; V90-N92 VanDerWaalsContact C-N 3.33Å; V90-A120 HydrophobicContact CG1-CB 3.76Å; V90-T121 WeakPolarHBondContact CG1-O 3.33Å; V90-T121 PolarHBondContact N-O 2.96Å; V90-T121 VanDerWaalsContact N-O 3.1Å; V90-Q122 WeakPolarHBondContact CG2-O 3.45Å; V90-T123 HydrophobicContact CG1-CG2 3.91Å; V90-R126 HydrophobicContact CB-CG 4.35Å; V90-R126 VanDerWaalsContact CG1-CZ 3.45Å; V90-R126 VanDerWaalsContact CG1-NH2 3.29Å; V90-R126 HydrophobicContact CG2-CG 4Å; V90-C135 CarbonylContact O-C 3.56Å; V90-C135 VanDerWaalsContact O-CA 3.22Å; V90-C135 WeakPolarHBondContact O-CA 3.22Å; V90-I136 PolarHBondContact O-N 3Å |
| 91 | A | 95.6 | Very high | 98 | Very high | 20 Ų | 20 | 32 Ų | 32 | 17% | 0.165 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S89 L125 H131 | S89-A91 PolarHBondContact O-N 3Å; S89-A91 PolarHBondContact OG-N 3.18Å; S89-A91 VanDerWaalsContact OG-N 3.16Å; A91-L125 HydrophobicContact CB-CB 4.1Å; A91-L125 HydrophobicContact CB-CD1 3.46Å; A91-L125 VanDerWaalsContact CB-CD1 3.46Å; A91-L125 HydrophobicContact CB-CG 4.43Å; A91-H131 HydrophobicContact CB-CB 4.34Å |
| 92 | N | 95.9 | Very high | 98 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | trans | -125 | 92.7 | -178.4 | -176.4 | -6 | 0 | 0 | 0 | 111.5 | S89 V90 N94 S95 | S89-N92 PolarHBondContact O-N 3.23Å; V90-N92 VanDerWaalsContact C-N 3.33Å; N92-N94 PolarHBondContact O-N 3.26Å; N92-N94 WeakPolarHBondContact OD1-CB 3.23Å; N92-N94 PolarHBondContact OD1-N 2.95Å; N92-N94 VanDerWaalsContact OD1-N 3.13Å; N92-S95 WeakPolarHBondContact O-CB 3.5Å; N92-S95 PolarHBondContact O-N 3.45Å; N92-S95 PolarHBondContact O-OG 2.68Å; N92-S95 PolarHBondContact OD1-N 2.97Å | ||
| 93 | P | 95.9 | Very high | 98 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 48% | 0.481 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -52.1 | -36.7 | 176 | -29.7 | 37.2 | 0 | 0 | 0 | 114.8 | S95 L96 A97 I136 | P93-S95 VanDerWaalsContact C-N 3.27Å; P93-S95 PolarHBondContact O-N 3.26Å; P93-L96 PolarHBondContact O-N 3.16Å; P93-A97 PolarHBondContact O-N 3.26Å; P93-A97 VanDerWaalsContact O-N 3.12Å; P93-I136 HydrophobicContact CG-CG1 4.46Å |
| 94 | N | 97.3 | Very high | 98 | Very high | 117 Ų | 117 | 32.7 Ų | 32.7 | 63% | 0.626 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -64.6 | -35.2 | 178.3 | -66.2 | -42.5 | 0 | 0 | 0 | 111.5 | N92 L96 A97 S98 | N92-N94 PolarHBondContact O-N 3.26Å; N92-N94 WeakPolarHBondContact OD1-CB 3.23Å; N92-N94 PolarHBondContact OD1-N 2.95Å; N92-N94 VanDerWaalsContact OD1-N 3.13Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 PolarHBondContact O-N 3.35Å; N94-A97 WeakPolarHBondContact O-CB 3.41Å; N94-A97 PolarHBondContact O-N 3.4Å; N94-A97 VanDerWaalsContact O-N 3.14Å; N94-S98 PolarHBondContact O-N 2.82Å; N94-S98 PolarHBondContact O-OG 3.49Å; N94-S98 VanDerWaalsContact O-OG 3.08Å |
| 95 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -31.3 | 178.6 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | D17 S89 N92 P93 I99 | D17-S95 WeakPolarHBondContact OD2-CA 3.29Å; S89-S95 PolarHBondContact N-OG 3.19Å; S89-S95 PolarHBondContact O-OG 3.44Å; N92-S95 WeakPolarHBondContact O-CB 3.5Å; N92-S95 PolarHBondContact O-N 3.45Å; N92-S95 PolarHBondContact O-OG 2.68Å; N92-S95 PolarHBondContact OD1-N 2.97Å; P93-S95 VanDerWaalsContact C-N 3.27Å; P93-S95 PolarHBondContact O-N 3.26Å; S95-I99 PolarHBondContact O-N 2.92Å |
| 96 | L | 98.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.4 | -40.6 | 170.5 | -177.4 | 66.3 | 0 | 0 | 0 | 111.4 | Y88 P93 N94 S98 I99 I136 V144 | Y88-L96 HydrophobicContact CD1-CD1 3.8Å; Y88-L96 HydrophobicContact CD2-CB 3.85Å; Y88-L96 HydrophobicContact CD2-CD1 4.07Å; Y88-L96 HydrophobicContact CD2-CG 4.5Å; Y88-L96 HydrophobicContact CE1-CD1 3.73Å; Y88-L96 HydrophobicContact CE2-CB 4.23Å; Y88-L96 HydrophobicContact CE2-CD1 4.04Å; Y88-L96 HydrophobicContact CG-CB 4.2Å; Y88-L96 HydrophobicContact CG-CD1 3.96Å; P93-L96 PolarHBondContact O-N 3.16Å; N94-L96 VanDerWaalsContact C-N 3.3Å; N94-L96 PolarHBondContact O-N 3.35Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.69Å; L96-I99 HydrophobicContact CD1-CG1 4.36Å; L96-I99 WeakPolarHBondContact O-CB 3.46Å; L96-I99 PolarHBondContact O-N 2.91Å; L96-I99 VanDerWaalsContact O-N 3.09Å; L96-I136 HydrophobicContact CB-CD1 3.53Å; L96-I136 HydrophobicContact CD2-CD1 3.94Å; L96-I136 HydrophobicContact CD2-CG1 4.33Å; L96-I136 HydrophobicContact CD2-CG2 3.66Å; L96-I136 HydrophobicContact CG-CD1 4.35Å; L96-V144 HydrophobicContact CD1-CB 3.86Å; L96-V144 HydrophobicContact CD1-CG1 3.71Å; L96-V144 HydrophobicContact CD1-CG2 4.05Å; L96-V144 HydrophobicContact CD2-CG2 3.92Å; L96-V144 HydrophobicContact CG-CB 4.34Å; L96-V144 HydrophobicContact CG-CG1 4.31Å; L96-V144 HydrophobicContact CG-CG2 3.96Å |
| 97 | A | 98.3 | Very high | 97.9 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | P93 N94 I99 Q100 R101 | P93-A97 PolarHBondContact O-N 3.26Å; P93-A97 VanDerWaalsContact O-N 3.12Å; N94-A97 WeakPolarHBondContact O-CB 3.41Å; N94-A97 PolarHBondContact O-N 3.4Å; N94-A97 VanDerWaalsContact O-N 3.14Å; A97-I99 PolarHBondContact O-N 2.79Å; A97-Q100 PolarHBondContact O-N 3.03Å; A97-Q100 VanDerWaalsContact O-N 3.15Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.07Å |
| 98 | S | 98.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -30.3 | 174.2 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | D17 N94 L96 Q100 K102 W103 | D17-S98 WeakPolarHBondContact OD1-CB 3.12Å; D17-S98 PolarHBondContact OD1-OG 2.71Å; D17-S98 VanDerWaalsContact OD2-CB 3.29Å; D17-S98 WeakPolarHBondContact OD2-CB 3.37Å; D17-S98 PolarHBondContact OD2-OG 2.82Å; N94-S98 PolarHBondContact O-N 2.82Å; N94-S98 PolarHBondContact O-OG 3.49Å; N94-S98 VanDerWaalsContact O-OG 3.08Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.69Å; S98-Q100 VanDerWaalsContact C-N 3.28Å; S98-Q100 PolarHBondContact O-N 2.81Å; S98-K102 WeakPolarHBondContact O-CA 3.18Å; S98-K102 WeakPolarHBondContact O-CB 3.28Å; S98-K102 PolarHBondContact O-N 3.33Å; S98-W103 VanDerWaalsContact O-CD1 3.3Å; S98-W103 PolarHBondContact O-N 2.75Å |
| 99 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -55.3 | -47.4 | 174.1 | -62.3 | -66.2 | 0 | 0 | 0 | 110.3 | M86 S95 L96 A97 I104 V118 V144 V148 | M86-I99 HydrophobicContact CB-CD1 4.14Å; M86-I99 HydrophobicContact CG-CD1 3.42Å; M86-I99 VanDerWaalsContact CG-CD1 3.42Å; M86-I99 HydrophobicContact SD-CB 4.39Å; M86-I99 HydrophobicContact SD-CD1 3.79Å; M86-I99 HydrophobicContact SD-CG2 3.68Å; S95-I99 PolarHBondContact O-N 2.92Å; L96-I99 HydrophobicContact CD1-CG1 4.36Å; L96-I99 WeakPolarHBondContact O-CB 3.46Å; L96-I99 PolarHBondContact O-N 2.91Å; L96-I99 VanDerWaalsContact O-N 3.09Å; A97-I99 PolarHBondContact O-N 2.79Å; I99-I104 WeakPolarHBondContact O-CB 3.29Å; I99-I104 VanDerWaalsContact O-CG2 3.24Å; I99-I104 WeakPolarHBondContact O-CG2 3.5Å; I99-I104 PolarHBondContact O-N 2.86Å; I99-V118 HydrophobicContact CG2-CG2 4.35Å; I99-V144 HydrophobicContact CB-CG1 4.28Å; I99-V144 HydrophobicContact CG2-CG1 3.88Å; I99-V148 HydrophobicContact CG2-CG1 4.12Å; I99-V148 HydrophobicContact CG2-CG2 4.33Å |
| 100 | Q | 97.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -78.6 | -40.6 | -176.6 | -55.5 | -172.1 | -86.6 | 0 | 0 | 112.4 | A97 S98 I104 V144 E147 V148 | A97-Q100 PolarHBondContact O-N 3.03Å; A97-Q100 VanDerWaalsContact O-N 3.15Å; S98-Q100 VanDerWaalsContact C-N 3.28Å; S98-Q100 PolarHBondContact O-N 2.81Å; Q100-I104 WeakPolarHBondContact O-CG2 3.45Å; Q100-V144 HydrophobicContact CG-CG1 3.61Å; Q100-V144 HydrophobicContact CG-CG2 4.46Å; Q100-E147 PolarHBondContact NE2-OE2 2.96Å; Q100-V148 HydrophobicContact CG-CG1 4.16Å |
| 101 | R | 97.4 | Very high | 97.7 | Very high | 210 Ų | 210 | 50.5 Ų | 50.5 | 79% | 0.792 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -84.3 | -23 | -171.1 | -65.4 | 176.9 | -175.7 | 176.9 | 1.5 | 113.7 | A97 | A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 3.07Å |
| 102 | K | 97.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -136.3 | -64 | -168.2 | 176.1 | -174.3 | 176.7 | 177.2 | 0 | 112.5 | D68 S98 I104 A105 E106 | D68-K102 WeakPolarHBondContact OD1-CE 3.41Å; D68-K102 IonicContact OD1-NZ 3.71Å; D68-K102 PolarHBondContact OD1-NZ 2.69Å; D68-K102 IonicContact OD2-NZ 2.82Å; D68-K102 PolarHBondContact OD2-NZ 2.85Å; D68-K102 VanDerWaalsContact OD2-NZ 3.08Å; S98-K102 WeakPolarHBondContact O-CA 3.18Å; S98-K102 WeakPolarHBondContact O-CB 3.28Å; S98-K102 PolarHBondContact O-N 3.33Å; K102-I104 PolarHBondContact O-N 2.82Å; K102-A105 PolarHBondContact O-N 2.9Å; K102-E106 PolarHBondContact O-N 2.86Å; K102-E106 VanDerWaalsContact O-N 3.07Å |
| 103 | W | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -66.6 | -39.9 | -164.2 | -65.2 | 112.6 | 0 | 0 | 0 | 113 | V15 G16 D17 R74 M86 S98 A105 V107 | V15-W103 HydrophobicContact CB-CE3 3.99Å; V15-W103 HydrophobicContact CB-CZ3 4.17Å; V15-W103 HydrophobicContact CG2-CE3 4.28Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact CA-CE2 3.48Å; G16-W103 WeakPolarHBondContact O-CH2 3.4Å; G16-W103 VanDerWaalsContact O-CZ2 3.23Å; G16-W103 WeakPolarHBondContact O-CZ2 3.34Å; D17-W103 WeakPolarHBondContact OD1-CZ2 3.35Å; D17-W103 PolarHBondContact OD1-NE1 2.86Å; R74-W103 VanDerWaalsContact CZ-CH2 3.48Å; R74-W103 VanDerWaalsContact NH1-CH2 3.33Å; M86-W103 HydrophobicContact CE-CB 4.13Å; M86-W103 HydrophobicContact CG-CB 3.85Å; M86-W103 HydrophobicContact SD-CB 3.58Å; M86-W103 VanDerWaalsContact SD-CB 3.58Å; S98-W103 VanDerWaalsContact O-CD1 3.3Å; S98-W103 PolarHBondContact O-N 2.75Å; W103-A105 PolarHBondContact O-N 3.46Å; W103-V107 WeakPolarHBondContact O-CB 3.33Å; W103-V107 VanDerWaalsContact O-CG2 3.3Å; W103-V107 WeakPolarHBondContact O-CG2 3.45Å; W103-V107 PolarHBondContact O-N 3.34Å |
| 104 | I | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177 | -171.7 | 63.5 | 0 | 0 | 0 | 112.3 | M86 I99 Q100 K102 V107 R108 V148 | M86-I104 HydrophobicContact CE-CB 4.21Å; M86-I104 HydrophobicContact CE-CD1 4.02Å; M86-I104 HydrophobicContact SD-CB 4.45Å; I99-I104 WeakPolarHBondContact O-CB 3.29Å; I99-I104 VanDerWaalsContact O-CG2 3.24Å; I99-I104 WeakPolarHBondContact O-CG2 3.5Å; I99-I104 PolarHBondContact O-N 2.86Å; Q100-I104 WeakPolarHBondContact O-CG2 3.45Å; K102-I104 PolarHBondContact O-N 2.82Å; I104-V107 PolarHBondContact O-N 2.83Å; I104-R108 HydrophobicContact CD1-CG 3.91Å; I104-R108 HydrophobicContact CG1-CG 4.13Å; I104-R108 WeakPolarHBondContact O-CB 3.24Å; I104-R108 WeakPolarHBondContact O-CG 3.3Å; I104-R108 PolarHBondContact O-N 3.06Å; I104-V148 HydrophobicContact CB-CB 4.22Å; I104-V148 HydrophobicContact CB-CG1 4.21Å; I104-V148 HydrophobicContact CD1-CB 4.07Å; I104-V148 HydrophobicContact CG1-CB 3.89Å; I104-V148 HydrophobicContact CG1-CG1 4.35Å; I104-V148 HydrophobicContact CG2-CG1 4.14Å |
| 105 | A | 98.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 51% | 0.512 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K102 W103 V107 R108 E109 | K102-A105 PolarHBondContact O-N 2.9Å; W103-A105 PolarHBondContact O-N 3.46Å; A105-V107 PolarHBondContact O-N 2.96Å; A105-R108 PolarHBondContact O-N 2.8Å; A105-R108 VanDerWaalsContact O-N 3.16Å; A105-E109 WeakPolarHBondContact O-CB 3.46Å; A105-E109 PolarHBondContact O-N 2.89Å |
| 106 | E | 98.1 | Very high | 98 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 178.9 | -171.1 | -176.7 | 115.2 | 0 | 0 | 112 | R74 Y78 K102 N110 | R74-E106 WeakPolarHBondContact CD-OE1 3.2Å; R74-E106 IonicContact CZ-OE1 3.08Å; R74-E106 IonicContact NH1-OE1 2.61Å; R74-E106 PolarHBondContact NH1-OE1 2.7Å; R74-E106 IonicContact NH1-OE2 3.79Å; R74-E106 PolarHBondContact NH1-OE2 3.12Å; Y78-E106 HydrophobicContact CE2-CG 4.23Å; Y78-E106 PolarHBondContact OH-OE1 3.48Å; K102-E106 PolarHBondContact O-N 2.86Å; K102-E106 VanDerWaalsContact O-N 3.07Å; E106-N110 PolarHBondContact O-N 3.24Å; E106-N110 PolarHBondContact O-ND2 3.17Å |
| 107 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 111 | V15 V84 M86 W103 I104 A105 N110 L111 V116 | V15-V107 HydrophobicContact CG2-CG2 4Å; V84-V107 HydrophobicContact CB-CG1 4.48Å; V84-V107 HydrophobicContact CG1-CG1 4.42Å; V84-V107 HydrophobicContact CG1-CG2 4.09Å; V84-V107 HydrophobicContact CG2-CG1 4.19Å; M86-V107 HydrophobicContact CE-CB 4.07Å; M86-V107 HydrophobicContact CE-CG2 3.82Å; W103-V107 WeakPolarHBondContact O-CB 3.33Å; W103-V107 VanDerWaalsContact O-CG2 3.3Å; W103-V107 WeakPolarHBondContact O-CG2 3.45Å; W103-V107 PolarHBondContact O-N 3.34Å; I104-V107 PolarHBondContact O-N 2.83Å; A105-V107 PolarHBondContact O-N 2.96Å; V107-N110 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CB 4.38Å; V107-L111 CarbonylContact O-C 3.47Å; V107-L111 VanDerWaalsContact O-CA 3.29Å; V107-L111 WeakPolarHBondContact O-CA 3.4Å; V107-L111 VanDerWaalsContact O-CB 3.27Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 PolarHBondContact O-N 3.12Å; V107-V116 HydrophobicContact CG1-CG2 3.72Å |
| 108 | R | 97.9 | Very high | 98 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 26% | 0.264 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.9 | -30.4 | -177.9 | -69.5 | -70.8 | 171.5 | -117.8 | -0.4 | 113.3 | I104 A105 N110 L111 P112 V114 V116 | I104-R108 HydrophobicContact CD1-CG 3.91Å; I104-R108 HydrophobicContact CG1-CG 4.13Å; I104-R108 WeakPolarHBondContact O-CB 3.24Å; I104-R108 WeakPolarHBondContact O-CG 3.3Å; I104-R108 PolarHBondContact O-N 3.06Å; A105-R108 PolarHBondContact O-N 2.8Å; A105-R108 VanDerWaalsContact O-N 3.16Å; R108-N110 VanDerWaalsContact C-N 3.31Å; R108-L111 PolarHBondContact NH1-O 2.86Å; R108-P112 WeakPolarHBondContact O-CA 3.5Å; R108-V114 PolarHBondContact NH1-O 3.06Å; R108-V116 VanDerWaalsContact NH2-CG2 3.27Å |
| 109 | E | 97.4 | Very high | 98 | Very high | 158 Ų | 158 | 51.5 Ų | 51.5 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.4 | -41.9 | 172 | -175.7 | 176 | -166.8 | 0 | 0 | 111.4 | A105 | A105-E109 WeakPolarHBondContact O-CB 3.46Å; A105-E109 PolarHBondContact O-N 2.89Å |
| 110 | N | 97.6 | Very high | 98 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -93.2 | -29.8 | -176.6 | -68.9 | -85.1 | 0 | 0 | 0 | 113.7 | Y78 E106 V107 R108 | Y78-N110 HydrophobicContact CD2-CB 3.62Å; Y78-N110 HydrophobicContact CE2-CB 4.43Å; Y78-N110 HydrophobicContact CG-CB 4.47Å; E106-N110 PolarHBondContact O-N 3.24Å; E106-N110 PolarHBondContact O-ND2 3.17Å; V107-N110 PolarHBondContact O-N 2.81Å; R108-N110 VanDerWaalsContact C-N 3.31Å |
| 111 | L | 97.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -138.1 | 66.3 | -169 | -62.9 | 176.6 | 0 | 0 | 0 | 111.5 | Y78 A81 V84 V107 R108 R113 V114 | Y78-L111 HydrophobicContact CG-CD1 4.29Å; Y78-L111 WeakPolarHBondContact O-CD2 3.24Å; A81-L111 HydrophobicContact CB-CD1 3.74Å; A81-L111 HydrophobicContact CB-CD2 4.42Å; V84-L111 HydrophobicContact CG2-CD1 3.67Å; V107-L111 HydrophobicContact CG1-CB 4.38Å; V107-L111 CarbonylContact O-C 3.47Å; V107-L111 VanDerWaalsContact O-CA 3.29Å; V107-L111 WeakPolarHBondContact O-CA 3.4Å; V107-L111 VanDerWaalsContact O-CB 3.27Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 PolarHBondContact O-N 3.12Å; R108-L111 PolarHBondContact NH1-O 2.86Å; L111-R113 PolarHBondContact O-N 3.21Å; L111-R113 VanDerWaalsContact O-N 3.07Å; L111-V114 HydrophobicContact CB-CB 3.85Å; L111-V114 HydrophobicContact CB-CG2 3.72Å; L111-V114 HydrophobicContact CD1-CB 4.39Å; L111-V114 HydrophobicContact CD1-CG1 4.45Å; L111-V114 HydrophobicContact CD1-CG2 4.33Å; L111-V114 HydrophobicContact CD2-CG2 3.81Å; L111-V114 HydrophobicContact CG-CG2 4.17Å; L111-V114 PolarHBondContact O-N 3.44Å | ||
| 112 | P | 96.9 | Very high | 98 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 60% | 0.604 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.5 | -168.4 | 23 | -34.5 | 0 | 0 | 0 | 114.5 | R108 | R108-P112 WeakPolarHBondContact O-CA 3.5Š|
| 113 | R | 96.3 | Very high | 98 | Very high | 223 Ų | 223 | 38.9 Ų | 38.9 | 84% | 0.842 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 3.7 | -175.3 | -60.2 | -179 | -176 | 170.9 | -0.1 | 114.1 | L111 K178 | L111-R113 PolarHBondContact O-N 3.21Å; L111-R113 VanDerWaalsContact O-N 3.07Å; R113-K178 PolarHBondContact O-NZ 3.45Å |
| 114 | V | 98.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 40 Ų | 40 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79.5 | 130.2 | -180 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | A81 V84 R108 L111 V116 | A81-V114 VanDerWaalsContact O-CG2 3.23Å; A81-V114 WeakPolarHBondContact O-CG2 3.3Å; V84-V114 HydrophobicContact CG2-CG1 4.08Å; R108-V114 PolarHBondContact NH1-O 3.06Å; L111-V114 HydrophobicContact CB-CB 3.85Å; L111-V114 HydrophobicContact CB-CG2 3.72Å; L111-V114 HydrophobicContact CD1-CB 4.39Å; L111-V114 HydrophobicContact CD1-CG1 4.45Å; L111-V114 HydrophobicContact CD1-CG2 4.33Å; L111-V114 HydrophobicContact CD2-CG2 3.81Å; L111-V114 HydrophobicContact CG-CG2 4.17Å; L111-V114 PolarHBondContact O-N 3.44Å; V114-V116 PolarHBondContact O-N 3.22Å |
| 115 | P | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | trans | -59.7 | 137.1 | 175.8 | 26.6 | -35.4 | 0 | 0 | 0 | 110.9 | D82 V83 V84 K151 T174 | D82-P115 VanDerWaalsContact O-CD 3.22Å; D82-P115 WeakPolarHBondContact O-CD 3.17Å; D82-P115 VanDerWaalsContact O-CG 3.27Å; D82-P115 WeakPolarHBondContact O-CG 3.4Å; V83-P115 HydrophobicContact CB-CG 4.24Å; V83-P115 HydrophobicContact CG2-CG 4.25Å; V84-P115 PolarHBondContact N-O 3.12Å; P115-K151 HydrophobicContact CB-CB 4.4Å; P115-K151 HydrophobicContact CB-CG 3.75Å; P115-T174 HydrophobicContact CB-CG2 3.68Å; P115-T174 HydrophobicContact CG-CG2 3.88Å | ||
| 116 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.6 | 175 | 170.5 | 0 | 0 | 0 | 0 | 107.9 | V84 M86 V107 R108 V114 A150 K151 | V84-V116 HydrophobicContact CB-CG2 4.23Å; V84-V116 CarbonylContact O-C 3.55Å; V84-V116 WeakPolarHBondContact O-CA 3.49Å; M86-V116 HydrophobicContact CB-CG1 3.96Å; M86-V116 HydrophobicContact CE-CG1 3.7Å; M86-V116 HydrophobicContact CE-CG2 4.37Å; M86-V116 HydrophobicContact SD-CG1 4.41Å; V107-V116 HydrophobicContact CG1-CG2 3.72Å; R108-V116 VanDerWaalsContact NH2-CG2 3.27Å; V114-V116 PolarHBondContact O-N 3.22Å; V116-A150 CarbonylContact O-C 3.57Å; V116-A150 WeakPolarHBondContact O-CA 3.14Å; V116-A150 WeakPolarHBondContact O-CB 3.39Å; V116-K151 PolarHBondContact O-N 3.37Å |
| 117 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.9 | 169.7 | -55.3 | 178 | 0 | 0 | 0 | 108 | V83 V84 L85 M86 K151 L154 Y170 A171 | V83-L117 HydrophobicContact CG2-CD1 4.14Å; V83-L117 HydrophobicContact CG2-CG 4.22Å; V84-L117 PolarHBondContact O-N 2.76Å; L85-L117 HydrophobicContact CD2-CB 3.89Å; L85-L117 HydrophobicContact CD2-CD1 3.76Å; L85-L117 HydrophobicContact CD2-CG 4.27Å; M86-L117 PolarHBondContact N-O 2.93Å; L117-K151 HydrophobicContact CD2-CB 3.85Å; L117-L154 HydrophobicContact CB-CD1 4.1Å; L117-L154 HydrophobicContact CD1-CD1 4.25Å; L117-Y170 HydrophobicContact CD1-CD1 3.72Å; L117-Y170 HydrophobicContact CD1-CE1 4.41Å; L117-Y170 HydrophobicContact CD2-CD1 3.74Å; L117-Y170 HydrophobicContact CD2-CE1 3.57Å; L117-Y170 HydrophobicContact CG-CD1 4.4Å; L117-A171 HydrophobicContact CD1-CB 3.89Å |
| 118 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129 | 172 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | M86 Y88 I99 A145 V148 A150 G152 Y153 L154 | M86-V118 WeakPolarHBondContact O-CA 3.34Å; Y88-V118 HydrophobicContact CD1-CG1 3.98Å; Y88-V118 HydrophobicContact CE1-CG1 3.78Å; I99-V118 HydrophobicContact CG2-CG2 4.35Å; V118-A145 HydrophobicContact CB-CB 3.84Å; V118-A145 HydrophobicContact CG1-CB 4.35Å; V118-A145 HydrophobicContact CG2-CB 3.96Å; V118-V148 HydrophobicContact CG2-CG2 3.98Å; V118-A150 HydrophobicContact CG2-CB 3.88Å; V118-G152 PolarHBondContact N-O 3Å; V118-Y153 HydrophobicContact CB-CD2 4.25Å; V118-Y153 HydrophobicContact CG1-CD2 3.91Å; V118-Y153 HydrophobicContact CG1-CE2 4.19Å; V118-Y153 WeakPolarHBondContact O-CA 3.47Å; V118-L154 PolarHBondContact O-N 2.97Å |
| 119 | V | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.5 | -177 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | L25 L85 M86 C87 Y88 T121 L154 V167 | L25-V119 HydrophobicContact CD2-CG1 4.32Å; L85-V119 HydrophobicContact CB-CG2 4.17Å; L85-V119 HydrophobicContact CD2-CG2 4.08Å; M86-V119 PolarHBondContact O-N 3.25Å; C87-V119 VanDerWaalsContact CA-O 3.31Å; C87-V119 WeakPolarHBondContact CA-O 3.48Å; Y88-V119 WeakPolarHBondContact CD1-O 3.37Å; Y88-V119 PolarHBondContact N-O 2.99Å; V119-T121 HydrophobicContact CG1-CG2 4.28Å; V119-L154 CarbonylContact C-O 3.53Å; V119-L154 WeakPolarHBondContact CA-O 3.39Å; V119-V167 HydrophobicContact CG1-CG1 4.29Å; V119-V167 HydrophobicContact CG1-CG2 3.84Å; V119-V167 HydrophobicContact CG2-CG1 4.05Å |
| 120 | A | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y88 V90 Y153 L154 E155 C156 | Y88-A120 HydrophobicContact CD1-CB 4.45Å; Y88-A120 HydrophobicContact CE1-CB 3.58Å; Y88-A120 HydrophobicContact CE2-CB 4.04Å; Y88-A120 VanDerWaalsContact OH-CB 3.24Å; Y88-A120 WeakPolarHBondContact OH-CB 3.47Å; V90-A120 HydrophobicContact CG1-CB 3.76Å; A120-Y153 HydrophobicContact CB-CE2 4.19Å; A120-Y153 WeakPolarHBondContact CB-OH 3.49Å; A120-L154 PolarHBondContact N-O 3.18Å; A120-E155 HydrophobicContact CB-CB 4.44Å; A120-E155 HydrophobicContact CB-CG 3.94Å; A120-E155 CarbonylContact O-C 3.51Å; A120-E155 WeakPolarHBondContact O-CA 3.47Å; A120-C156 PolarHBondContact O-N 3.39Å |
| 121 | T | 98.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 170.4 | -178.8 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | V20 C87 Y88 V90 V119 T123 C156 | V20-T121 VanDerWaalsContact O-CB 3.3Å; V20-T121 WeakPolarHBondContact O-CB 3.3Å; V20-T121 PolarHBondContact O-OG1 3.06Å; C87-T121 HydrophobicContact CB-CG2 4.15Å; Y88-T121 PolarHBondContact O-N 3.14Å; Y88-T121 PolarHBondContact O-OG1 2.67Å; V90-T121 WeakPolarHBondContact CG1-O 3.33Å; V90-T121 PolarHBondContact N-O 2.96Å; V90-T121 VanDerWaalsContact N-O 3.1Å; V119-T121 HydrophobicContact CG1-CG2 4.28Å; T121-T123 VanDerWaalsContact C-N 3.25Å; T121-T123 PolarHBondContact O-N 2.84Å; T121-C156 CarbonylContact C-O 3.51Å; T121-C156 WeakPolarHBondContact CA-O 3.4Å |
| 122 | Q | 97 | Very high | 90.4 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | trans | 60.5 | 34.1 | 175.2 | -55.5 | 172.7 | -7.6 | 0 | 0 | 112.8 | A19 S89 V90 D124 L125 C156 | A19-Q122 PolarHBondContact O-NE2 2.84Å; S89-Q122 PolarHBondContact OG-OE1 3.36Å; V90-Q122 WeakPolarHBondContact CG2-O 3.45Å; Q122-D124 WeakPolarHBondContact CA-OD1 3.31Å; Q122-D124 PolarHBondContact O-N 3.23Å; Q122-D124 VanDerWaalsContact O-N 3.14Å; Q122-L125 HydrophobicContact CB-CD1 3.84Å; Q122-L125 HydrophobicContact CB-CG 4.26Å; Q122-L125 WeakPolarHBondContact O-CB 3.43Å; Q122-L125 WeakPolarHBondContact O-CG 3.45Å; Q122-L125 PolarHBondContact O-N 3.5Å; Q122-C156 PolarHBondContact N-O 2.71Å | ||
| 123 | T | 97 | Very high | 89.4 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -62.8 | -19.3 | -177.1 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | V90 T121 L125 R126 E155 C156 S157 | V90-T123 HydrophobicContact CG1-CG2 3.91Å; T121-T123 VanDerWaalsContact C-N 3.25Å; T121-T123 PolarHBondContact O-N 2.84Å; T123-L125 PolarHBondContact O-N 3.49Å; T123-R126 WeakPolarHBondContact O-CB 3.45Å; T123-R126 PolarHBondContact O-N 2.91Å; T123-E155 HydrophobicContact CG2-CB 3.88Å; T123-C156 VanDerWaalsContact CG2-O 3.32Å; T123-C156 WeakPolarHBondContact CG2-O 3.46Å; T123-C156 PolarHBondContact N-O 3.39Å; T123-C156 PolarHBondContact OG1-O 3.15Å; T123-S157 WeakPolarHBondContact OG1-CB 3.37Å; T123-S157 PolarHBondContact OG1-N 3.07Å |
| 124 | D | 94.8 | Very high | 89 | Confident | 22 Ų | 22 | 49 Ų | 49 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -54.9 | -31.5 | 168.2 | 48.4 | -77.5 | 0 | 0 | 0 | 112.9 | Q122 R126 E127 V128 S157 | Q122-D124 WeakPolarHBondContact CA-OD1 3.31Å; Q122-D124 PolarHBondContact O-N 3.23Å; Q122-D124 VanDerWaalsContact O-N 3.14Å; D124-R126 PolarHBondContact O-N 3.39Å; D124-E127 PolarHBondContact O-N 2.92Å; D124-V128 PolarHBondContact O-N 2.72Å; D124-S157 WeakPolarHBondContact CB-OG 3.46Å; D124-S157 VanDerWaalsContact CG-OG 3.29Å; D124-S157 WeakPolarHBondContact OD1-CB 3.29Å; D124-S157 PolarHBondContact OD1-OG 2.88Å |
| 125 | L | 93.9 | Very high | 88.8 | Confident | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -70.1 | -10 | 177.6 | -59.2 | 178.2 | 0 | 0 | 0 | 114 | A91 Q122 T123 C135 | A91-L125 HydrophobicContact CB-CB 4.1Å; A91-L125 HydrophobicContact CB-CD1 3.46Å; A91-L125 VanDerWaalsContact CB-CD1 3.46Å; A91-L125 HydrophobicContact CB-CG 4.43Å; Q122-L125 HydrophobicContact CB-CD1 3.84Å; Q122-L125 HydrophobicContact CB-CG 4.26Å; Q122-L125 WeakPolarHBondContact O-CB 3.43Å; Q122-L125 WeakPolarHBondContact O-CG 3.45Å; Q122-L125 PolarHBondContact O-N 3.5Å; T123-L125 PolarHBondContact O-N 3.49Å; L125-C135 PolarHBondContact O-SG 3.34Å; L125-C135 VanDerWaalsContact O-SG 3.38Å |
| 126 | R | 92.3 | Very high | 88.7 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 15% | 0.151 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -82.5 | -21.2 | 168.8 | -73.8 | 175.8 | -175.6 | 159.7 | -1.4 | 112.9 | V90 T123 D124 R132 C135 I136 E155 | V90-R126 HydrophobicContact CB-CG 4.35Å; V90-R126 VanDerWaalsContact CG1-CZ 3.45Å; V90-R126 VanDerWaalsContact CG1-NH2 3.29Å; V90-R126 HydrophobicContact CG2-CG 4Å; T123-R126 WeakPolarHBondContact O-CB 3.45Å; T123-R126 PolarHBondContact O-N 2.91Å; D124-R126 PolarHBondContact O-N 3.39Å; R126-R132 VanDerWaalsContact O-CG 3.3Å; R126-R132 WeakPolarHBondContact O-CG 3.31Å; R126-C135 HydrophobicContact CB-CB 4.49Å; R126-C135 HydrophobicContact CG-CB 3.47Å; R126-C135 VanDerWaalsContact CG-CB 3.47Å; R126-I136 PolarHBondContact NE-O 3.19Å; R126-I136 PolarHBondContact NH2-O 3.05Å; R126-E155 IonicContact CZ-OE1 3.47Å; R126-E155 IonicContact CZ-OE2 2.86Å; R126-E155 IonicContact NH1-OE1 2.69Å; R126-E155 PolarHBondContact NH1-OE1 3.18Å; R126-E155 IonicContact NH1-OE2 3.2Å; R126-E155 PolarHBondContact NH1-OE2 3.21Å; R126-E155 IonicContact NH2-OE1 2.7Å; R126-E155 PolarHBondContact NH2-OE1 3.36Å |
| 127 | E | 84.4 | Confident | 88.6 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -33.9 | -174.2 | -65.3 | -178 | 175.3 | 0 | 0 | 111.6 | D124 R162 | D124-E127 PolarHBondContact O-N 2.92Å; E127-R162 IonicContact OE1-CZ 3.48Å; E127-R162 IonicContact OE1-NH1 2.9Å; E127-R162 PolarHBondContact OE1-NH1 3.16Å; E127-R162 IonicContact OE1-NH2 3.06Å; E127-R162 PolarHBondContact OE1-NH2 3.41Å; E127-R162 IonicContact OE2-CZ 3.53Å; E127-R162 IonicContact OE2-NH1 2.69Å; E127-R162 PolarHBondContact OE2-NH1 3.39Å; E127-R162 IonicContact OE2-NH2 2.81Å; E127-R162 PolarHBondContact OE2-NH2 3.3Å |
| 128 | V | 74.6 | Confident | 88.6 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -135.1 | 150.5 | -174.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | D124 | D124-V128 PolarHBondContact O-N 2.72Š|
| 129 | G | 67.7 | Low | 88.6 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 91.5 | -175 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H131 R132 | G129-H131 PolarHBondContact O-N 2.78Å; G129-R132 PolarHBondContact O-N 2.98Å |
| 130 | V | 69.9 | Low | 88.5 | Confident | 139 Ų | 139 | 60.5 Ų | 60.5 | 84% | 0.842 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24 | -171.5 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 131 | H | 69.2 | Low | 88.5 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.8 | -174.7 | -60.1 | -59.2 | 0 | 0 | 0 | 114.6 | A91 G129 G133 S134 C135 | A91-H131 HydrophobicContact CB-CB 4.34Å; G129-H131 PolarHBondContact O-N 2.78Å; H131-G133 PolarHBondContact O-N 2.74Å; H131-G133 VanDerWaalsContact O-N 3.08Å; H131-S134 PolarHBondContact O-N 3.41Å; H131-S134 PolarHBondContact O-OG 2.87Å; H131-C135 PolarHBondContact O-N 3.39Å; H131-C135 PolarHBondContact O-SG 3Å |
| 132 | R | 74.3 | Confident | 88.5 | Confident | 174 Ų | 174 | 66.6 Ų | 66.6 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -41.4 | -174.7 | 175.3 | 165.3 | -169.9 | -150.5 | 3.9 | 113.8 | R126 G129 | R126-R132 VanDerWaalsContact O-CG 3.3Å; R126-R132 WeakPolarHBondContact O-CG 3.31Å; G129-R132 PolarHBondContact O-N 2.98Å |
| 133 | G | 76.7 | Confident | 88.6 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 86% | 0.856 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -14.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | H131 | H131-G133 PolarHBondContact O-N 2.74Å; H131-G133 VanDerWaalsContact O-N 3.08Å |
| 134 | S | 87.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -4.8 | -176.7 | 64 | 0 | 0 | 0 | 0 | 113.6 | H131 | H131-S134 PolarHBondContact O-N 3.41Å; H131-S134 PolarHBondContact O-OG 2.87Å |
| 135 | C | 95.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -66.6 | 138.9 | 177.9 | -80.2 | 0 | 0 | 0 | 0 | 110.7 | V90 L125 R126 H131 S137 | V90-C135 CarbonylContact O-C 3.56Å; V90-C135 VanDerWaalsContact O-CA 3.22Å; V90-C135 WeakPolarHBondContact O-CA 3.22Å; L125-C135 PolarHBondContact O-SG 3.34Å; L125-C135 VanDerWaalsContact O-SG 3.38Å; R126-C135 HydrophobicContact CB-CB 4.49Å; R126-C135 HydrophobicContact CG-CB 3.47Å; R126-C135 VanDerWaalsContact CG-CB 3.47Å; H131-C135 PolarHBondContact O-N 3.39Å; H131-C135 PolarHBondContact O-SG 3Å; C135-S137 PolarHBondContact O-N 3.25Å |
| 136 | I | 96.7 | Very high | 89.1 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.036 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 130.8 | 174.2 | -65.2 | 162.1 | 0 | 0 | 0 | 108.9 | Y88 V90 P93 L96 R126 E140 | Y88-I136 HydrophobicContact CD2-CD1 3.81Å; Y88-I136 HydrophobicContact CE2-CB 4.3Å; Y88-I136 HydrophobicContact CE2-CD1 3.63Å; Y88-I136 HydrophobicContact CE2-CG2 4.03Å; V90-I136 PolarHBondContact O-N 3Å; P93-I136 HydrophobicContact CG-CG1 4.46Å; L96-I136 HydrophobicContact CB-CD1 3.53Å; L96-I136 HydrophobicContact CD2-CD1 3.94Å; L96-I136 HydrophobicContact CD2-CG1 4.33Å; L96-I136 HydrophobicContact CD2-CG2 3.66Å; L96-I136 HydrophobicContact CG-CD1 4.35Å; R126-I136 PolarHBondContact NE-O 3.19Å; R126-I136 PolarHBondContact NH2-O 3.05Å; I136-E140 HydrophobicContact CG2-CB 3.93Å |
| 137 | S | 96.8 | Very high | 89.4 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 158.1 | 176.9 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | C135 A139 E140 G141 | C135-S137 PolarHBondContact O-N 3.25Å; S137-A139 PolarHBondContact O-N 3.19Å; S137-E140 WeakPolarHBondContact CB-OE2 3.18Å; S137-E140 PolarHBondContact N-OE2 2.97Å; S137-E140 PolarHBondContact O-N 2.98Å; S137-E140 WeakPolarHBondContact OG-CG 3.34Å; S137-E140 PolarHBondContact OG-N 3.19Å; S137-E140 PolarHBondContact OG-OE2 3.32Å; S137-G141 PolarHBondContact O-N 3.14Å; S137-G141 VanDerWaalsContact O-N 3.16Å |
| 138 | P | 97.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 34% | 0.338 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.1 | -32.3 | 171.5 | -23.8 | 31.8 | 0 | 0 | 0 | 113.3 | K142 E155 | P138-K142 WeakPolarHBondContact O-CB 3.37Å; P138-K142 VanDerWaalsContact O-CG 3.24Å; P138-K142 WeakPolarHBondContact O-CG 3.43Å; P138-K142 PolarHBondContact O-N 2.52Å; P138-E155 WeakPolarHBondContact CA-OE1 3.41Å |
| 139 | A | 98.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 73.4 Ų | 73.4 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S137 K142 R143 | S137-A139 PolarHBondContact O-N 3.19Å; A139-K142 PolarHBondContact O-N 2.82Å; A139-R143 WeakPolarHBondContact O-CB 3.38Å; A139-R143 PolarHBondContact O-N 3.09Å |
| 140 | E | 98.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.2 | -70.8 | 165.3 | 103 | 0 | 0 | 112 | I136 S137 K142 R143 V144 | I136-E140 HydrophobicContact CG2-CB 3.93Å; S137-E140 WeakPolarHBondContact CB-OE2 3.18Å; S137-E140 PolarHBondContact N-OE2 2.97Å; S137-E140 PolarHBondContact O-N 2.98Å; S137-E140 WeakPolarHBondContact OG-CG 3.34Å; S137-E140 PolarHBondContact OG-N 3.19Å; S137-E140 PolarHBondContact OG-OE2 3.32Å; E140-K142 PolarHBondContact O-N 2.81Å; E140-R143 WeakPolarHBondContact O-CB 3.22Å; E140-R143 PolarHBondContact O-N 3.39Å; E140-V144 PolarHBondContact O-N 3.02Å |
| 141 | G | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y88 S137 V144 A145 Y153 | Y88-G141 WeakPolarHBondContact OH-CA 3.15Å; S137-G141 PolarHBondContact O-N 3.14Å; S137-G141 VanDerWaalsContact O-N 3.16Å; G141-V144 PolarHBondContact O-N 2.95Å; G141-A145 WeakPolarHBondContact O-CB 2.85Å; G141-A145 PolarHBondContact O-N 3.23Å; G141-Y153 VanDerWaalsContact CA-CE2 3.45Å |
| 142 | K | 98.8 | Very high | 95.4 | Very high | 128 Ų | 128 | 67.8 Ų | 67.8 | 56% | 0.557 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 174 | -74.7 | 174.3 | -175.2 | 178.5 | 0 | 112.3 | P138 A139 E140 A145 H146 Y153 | P138-K142 WeakPolarHBondContact O-CB 3.37Å; P138-K142 VanDerWaalsContact O-CG 3.24Å; P138-K142 WeakPolarHBondContact O-CG 3.43Å; P138-K142 PolarHBondContact O-N 2.52Å; A139-K142 PolarHBondContact O-N 2.82Å; E140-K142 PolarHBondContact O-N 2.81Å; K142-A145 PolarHBondContact O-N 2.88Å; K142-H146 PolarHBondContact O-N 2.62Å; K142-Y153 HydrophobicContact CB-CD1 4.47Å; K142-Y153 HydrophobicContact CD-CD1 4.31Å; K142-Y153 HydrophobicContact CG-CD1 3.35Å; K142-Y153 HydrophobicContact CG-CE1 3.82Å; K142-Y153 HydrophobicContact CG-CG 3.77Å |
| 143 | R | 98.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 61.3 Ų | 61.3 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 176.1 | -179 | -176.6 | 64.4 | 82.2 | 0.1 | 110.7 | A139 E140 A145 H146 E147 | A139-R143 WeakPolarHBondContact O-CB 3.38Å; A139-R143 PolarHBondContact O-N 3.09Å; E140-R143 WeakPolarHBondContact O-CB 3.22Å; E140-R143 PolarHBondContact O-N 3.39Å; R143-A145 VanDerWaalsContact C-N 3.34Å; R143-A145 PolarHBondContact O-N 2.55Å; R143-H146 WeakPolarHBondContact O-CB 3.37Å; R143-H146 PolarHBondContact O-N 3.05Å; R143-E147 VanDerWaalsContact CG-OE1 3.3Å; R143-E147 WeakPolarHBondContact CG-OE1 3.25Å; R143-E147 IonicContact CZ-OE1 2.75Å; R143-E147 VanDerWaalsContact NH1-CD 3.26Å; R143-E147 IonicContact NH1-OE1 3.17Å; R143-E147 PolarHBondContact NH1-OE1 2.9Å; R143-E147 IonicContact NH1-OE2 2.77Å; R143-E147 PolarHBondContact NH1-OE2 2.73Å; R143-E147 WeakPolarHBondContact O-CG 3.19Å; R143-E147 PolarHBondContact O-N 3.42Å |
| 144 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | L96 I99 Q100 E140 G141 H146 E147 V148 | L96-V144 HydrophobicContact CD1-CB 3.86Å; L96-V144 HydrophobicContact CD1-CG1 3.71Å; L96-V144 HydrophobicContact CD1-CG2 4.05Å; L96-V144 HydrophobicContact CD2-CG2 3.92Å; L96-V144 HydrophobicContact CG-CB 4.34Å; L96-V144 HydrophobicContact CG-CG1 4.31Å; L96-V144 HydrophobicContact CG-CG2 3.96Å; I99-V144 HydrophobicContact CB-CG1 4.28Å; I99-V144 HydrophobicContact CG2-CG1 3.88Å; Q100-V144 HydrophobicContact CG-CG1 3.61Å; Q100-V144 HydrophobicContact CG-CG2 4.46Å; E140-V144 PolarHBondContact O-N 3.02Å; G141-V144 PolarHBondContact O-N 2.95Å; V144-H146 VanDerWaalsContact C-N 3.27Å; V144-H146 PolarHBondContact O-N 3.5Å; V144-E147 PolarHBondContact O-N 2.87Å; V144-V148 HydrophobicContact CG1-CG1 4.5Å; V144-V148 WeakPolarHBondContact O-CG2 3.3Å; V144-V148 PolarHBondContact O-N 2.94Å |
| 145 | A | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V118 G141 K142 R143 H149 A150 Y153 | V118-A145 HydrophobicContact CB-CB 3.84Å; V118-A145 HydrophobicContact CG1-CB 4.35Å; V118-A145 HydrophobicContact CG2-CB 3.96Å; G141-A145 WeakPolarHBondContact O-CB 2.85Å; G141-A145 PolarHBondContact O-N 3.23Å; K142-A145 PolarHBondContact O-N 2.88Å; R143-A145 VanDerWaalsContact C-N 3.34Å; R143-A145 PolarHBondContact O-N 2.55Å; A145-H149 PolarHBondContact O-N 2.77Å; A145-A150 HydrophobicContact CB-CB 4.17Å; A145-A150 VanDerWaalsContact O-CB 3.26Å; A145-A150 WeakPolarHBondContact O-CB 3.39Å; A145-A150 PolarHBondContact O-N 3.22Å; A145-Y153 HydrophobicContact CB-CD2 4.06Å; A145-Y153 HydrophobicContact CB-CG 4.41Å |
| 146 | H | 98.7 | Very high | 98.3 | Very high | 147 Ų | 147 | 57 Ų | 57 | 68% | 0.681 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.3 | -46.6 | 174 | 179.1 | -89.1 | 0 | 0 | 0 | 112 | K142 R143 V144 V148 H149 | K142-H146 PolarHBondContact O-N 2.62Å; R143-H146 WeakPolarHBondContact O-CB 3.37Å; R143-H146 PolarHBondContact O-N 3.05Å; V144-H146 VanDerWaalsContact C-N 3.27Å; V144-H146 PolarHBondContact O-N 3.5Å; H146-V148 VanDerWaalsContact C-N 3.28Å; H146-V148 PolarHBondContact O-N 3Å; H146-H149 PolarHBondContact O-N 3.22Å |
| 147 | E | 98.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 179.9 | -73 | 168.1 | -176.9 | 0 | 0 | 113 | Q100 R143 V144 H149 | Q100-E147 PolarHBondContact NE2-OE2 2.96Å; R143-E147 VanDerWaalsContact CG-OE1 3.3Å; R143-E147 WeakPolarHBondContact CG-OE1 3.25Å; R143-E147 IonicContact CZ-OE1 2.75Å; R143-E147 VanDerWaalsContact NH1-CD 3.26Å; R143-E147 IonicContact NH1-OE1 3.17Å; R143-E147 PolarHBondContact NH1-OE1 2.9Å; R143-E147 IonicContact NH1-OE2 2.77Å; R143-E147 PolarHBondContact NH1-OE2 2.73Å; R143-E147 WeakPolarHBondContact O-CG 3.19Å; R143-E147 PolarHBondContact O-N 3.42Å; V144-E147 PolarHBondContact O-N 2.87Å; E147-H149 VanDerWaalsContact C-N 3.3Å |
| 148 | V | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.9 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | I99 Q100 I104 V118 V144 H146 A150 | I99-V148 HydrophobicContact CG2-CG1 4.12Å; I99-V148 HydrophobicContact CG2-CG2 4.33Å; Q100-V148 HydrophobicContact CG-CG1 4.16Å; I104-V148 HydrophobicContact CB-CB 4.22Å; I104-V148 HydrophobicContact CB-CG1 4.21Å; I104-V148 HydrophobicContact CD1-CB 4.07Å; I104-V148 HydrophobicContact CG1-CB 3.89Å; I104-V148 HydrophobicContact CG1-CG1 4.35Å; I104-V148 HydrophobicContact CG2-CG1 4.14Å; V118-V148 HydrophobicContact CG2-CG2 3.98Å; V144-V148 HydrophobicContact CG1-CG1 4.5Å; V144-V148 WeakPolarHBondContact O-CG2 3.3Å; V144-V148 PolarHBondContact O-N 2.94Å; H146-V148 VanDerWaalsContact C-N 3.28Å; H146-V148 PolarHBondContact O-N 3Å; V148-A150 VanDerWaalsContact C-N 3.27Å; V148-A150 HydrophobicContact CG2-CB 4.17Å; V148-A150 PolarHBondContact O-N 3.41Å |
| 149 | H | 98.2 | Very high | 98.3 | Very high | 152 Ų | 152 | 56.9 Ų | 56.9 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 39.6 | -178.1 | -54 | -64.3 | 0 | 0 | 0 | 113.8 | A145 H146 E147 | A145-H149 PolarHBondContact O-N 2.77Å; H146-H149 PolarHBondContact O-N 3.22Å; E147-H149 VanDerWaalsContact C-N 3.3Å |
| 150 | A | 98.5 | Very high | 98.1 | Very high | 22 Ų | 22 | 56 Ų | 56 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -66.1 | 152.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V116 V118 A145 V148 G152 | V116-A150 CarbonylContact O-C 3.57Å; V116-A150 WeakPolarHBondContact O-CA 3.14Å; V116-A150 WeakPolarHBondContact O-CB 3.39Å; V118-A150 HydrophobicContact CG2-CB 3.88Å; A145-A150 HydrophobicContact CB-CB 4.17Å; A145-A150 VanDerWaalsContact O-CB 3.26Å; A145-A150 WeakPolarHBondContact O-CB 3.39Å; A145-A150 PolarHBondContact O-N 3.22Å; V148-A150 VanDerWaalsContact C-N 3.27Å; V148-A150 HydrophobicContact CG2-CB 4.17Å; V148-A150 PolarHBondContact O-N 3.41Å; A150-G152 VanDerWaalsContact C-N 3.3Å | ||
| 151 | K | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81.1 | -10.2 | 175.3 | -70.6 | -56.6 | -173.7 | -170.5 | 0 | 113.8 | P115 V116 L117 Y170 T174 | P115-K151 HydrophobicContact CB-CB 4.4Å; P115-K151 HydrophobicContact CB-CG 3.75Å; V116-K151 PolarHBondContact O-N 3.37Å; L117-K151 HydrophobicContact CD2-CB 3.85Å; K151-Y170 PolarHBondContact O-OH 2.68Å; K151-T174 HydrophobicContact CB-CG2 4.45Å |
| 152 | G | 98 | Very high | 97.9 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 158.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V118 A150 | V118-G152 PolarHBondContact N-O 3Å; A150-G152 VanDerWaalsContact C-N 3.3Å |
| 153 | Y | 98.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127 | 170.4 | 174.7 | -100.4 | 0 | 0 | 0 | 107.9 | Y88 V118 A120 G141 K142 A145 E155 | Y88-Y153 HydrophobicContact CE1-CE2 4.03Å; Y88-Y153 PolarHBondContact OH-OH 2.84Å; V118-Y153 HydrophobicContact CB-CD2 4.25Å; V118-Y153 HydrophobicContact CG1-CD2 3.91Å; V118-Y153 HydrophobicContact CG1-CE2 4.19Å; V118-Y153 WeakPolarHBondContact O-CA 3.47Å; A120-Y153 HydrophobicContact CB-CE2 4.19Å; A120-Y153 WeakPolarHBondContact CB-OH 3.49Å; G141-Y153 VanDerWaalsContact CA-CE2 3.45Å; K142-Y153 HydrophobicContact CB-CD1 4.47Å; K142-Y153 HydrophobicContact CD-CD1 4.31Å; K142-Y153 HydrophobicContact CG-CD1 3.35Å; K142-Y153 HydrophobicContact CG-CE1 3.82Å; K142-Y153 HydrophobicContact CG-CG 3.77Å; A145-Y153 HydrophobicContact CB-CD2 4.06Å; A145-Y153 HydrophobicContact CB-CG 4.41Å; Y153-E155 HydrophobicContact CD1-CG 4.37Å; Y153-E155 HydrophobicContact CE1-CG 3.47Å; Y153-E155 VanDerWaalsContact CE1-CG 3.47Å; Y153-E155 PolarHBondContact OH-OE1 3.04Å |
| 154 | L | 98.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 155 | -178.9 | -59.4 | 98.3 | 0 | 0 | 0 | 109.9 | L117 V118 V119 A120 V167 Y170 | L117-L154 HydrophobicContact CB-CD1 4.1Å; L117-L154 HydrophobicContact CD1-CD1 4.25Å; V118-L154 PolarHBondContact O-N 2.97Å; V119-L154 CarbonylContact C-O 3.53Å; V119-L154 WeakPolarHBondContact CA-O 3.39Å; A120-L154 PolarHBondContact N-O 3.18Å; L154-V167 HydrophobicContact CB-CG2 3.94Å; L154-V167 HydrophobicContact CD2-CG2 4.44Å; L154-Y170 HydrophobicContact CD1-CD1 4.11Å; L154-Y170 HydrophobicContact CD1-CG 4.32Å; L154-Y170 VanDerWaalsContact CD2-CB 3.48Å; L154-Y170 HydrophobicContact CD2-CD1 4.44Å; L154-Y170 HydrophobicContact CD2-CD2 4.29Å; L154-Y170 HydrophobicContact CD2-CG 3.84Å |
| 155 | E | 98.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 55 Ų | 55 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.9 | 179.3 | -61 | -156.1 | 141.4 | 0 | 0 | 109.4 | A120 T123 R126 P138 Y153 | A120-E155 HydrophobicContact CB-CB 4.44Å; A120-E155 HydrophobicContact CB-CG 3.94Å; A120-E155 CarbonylContact O-C 3.51Å; A120-E155 WeakPolarHBondContact O-CA 3.47Å; T123-E155 HydrophobicContact CG2-CB 3.88Å; R126-E155 IonicContact CZ-OE1 3.47Å; R126-E155 IonicContact CZ-OE2 2.86Å; R126-E155 IonicContact NH1-OE1 2.69Å; R126-E155 PolarHBondContact NH1-OE1 3.18Å; R126-E155 IonicContact NH1-OE2 3.2Å; R126-E155 PolarHBondContact NH1-OE2 3.21Å; R126-E155 IonicContact NH2-OE1 2.7Å; R126-E155 PolarHBondContact NH2-OE1 3.36Å; P138-E155 WeakPolarHBondContact CA-OE1 3.41Å; Y153-E155 HydrophobicContact CD1-CG 4.37Å; Y153-E155 HydrophobicContact CE1-CG 3.47Å; Y153-E155 VanDerWaalsContact CE1-CG 3.47Å; Y153-E155 PolarHBondContact OH-OE1 3.04Å |
| 156 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -148 | 161.1 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | A120 T121 Q122 T123 R162 V164 V167 | A120-C156 PolarHBondContact O-N 3.39Å; T121-C156 CarbonylContact C-O 3.51Å; T121-C156 WeakPolarHBondContact CA-O 3.4Å; Q122-C156 PolarHBondContact N-O 2.71Å; T123-C156 VanDerWaalsContact CG2-O 3.32Å; T123-C156 WeakPolarHBondContact CG2-O 3.46Å; T123-C156 PolarHBondContact N-O 3.39Å; T123-C156 PolarHBondContact OG1-O 3.15Å; C156-R162 CarbonylContact C-O 3.59Å; C156-R162 WeakPolarHBondContact CA-O 3.22Å; C156-R162 WeakPolarHBondContact CB-O 2.9Å; C156-V164 HydrophobicContact CB-CG2 4.44Å; C156-V167 HydrophobicContact CB-CG2 4.03Å | ||
| 157 | S | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -131.2 | 108.8 | 168.4 | 166.3 | 0 | 0 | 0 | 0 | 107.2 | T123 D124 L159 S160 N161 R162 | T123-S157 WeakPolarHBondContact OG1-CB 3.37Å; T123-S157 PolarHBondContact OG1-N 3.07Å; D124-S157 WeakPolarHBondContact CB-OG 3.46Å; D124-S157 VanDerWaalsContact CG-OG 3.29Å; D124-S157 WeakPolarHBondContact OD1-CB 3.29Å; D124-S157 PolarHBondContact OD1-OG 2.88Å; S157-L159 PolarHBondContact O-N 2.97Å; S157-S160 WeakPolarHBondContact CB-OG 3.23Å; S157-S160 PolarHBondContact OG-N 3.38Å; S157-S160 PolarHBondContact OG-OG 3.38Å; S157-N161 CarbonylContact O-C 3.55Å; S157-N161 VanDerWaalsContact O-CA 3.31Å; S157-N161 WeakPolarHBondContact O-CA 3.22Å; S157-N161 PolarHBondContact O-N 2.68Å; S157-R162 PolarHBondContact N-O 3.14Å; S157-R162 PolarHBondContact O-N 2.87Å |
| 158 | S | 97.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.8 | 174.4 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | A24 L25 R28 F34 | A24-S158 WeakPolarHBondContact O-CB 3.43Å; L25-S158 WeakPolarHBondContact CA-OG 3.46Å; L25-S158 PolarHBondContact N-OG 3.12Å; R28-S158 PolarHBondContact NE-O 3.01Å; R28-S158 PolarHBondContact NH2-O 2.94Å; F34-S158 WeakPolarHBondContact CD2-O 3.41Å |
| 159 | L | 94.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -55.1 | 177.1 | -179.6 | 62.1 | 0 | 0 | 0 | 111 | R28 F34 S157 N161 | R28-L159 PolarHBondContact NH2-O 3.25Å; F34-L159 HydrophobicContact CD1-CD1 4.11Å; F34-L159 HydrophobicContact CD2-CB 4.45Å; F34-L159 HydrophobicContact CD2-CD1 4.49Å; F34-L159 HydrophobicContact CE1-CD1 4.08Å; F34-L159 HydrophobicContact CE2-CB 4.05Å; F34-L159 HydrophobicContact CE2-CD1 4.44Å; F34-L159 HydrophobicContact CG-CD1 4.31Å; F34-L159 HydrophobicContact CZ-CB 4.34Å; F34-L159 HydrophobicContact CZ-CD1 4.24Å; S157-L159 PolarHBondContact O-N 2.97Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.36Å |
| 160 | S | 94.7 | Very high | 97.7 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.7 | -179.7 | 64 | 0 | 0 | 0 | 0 | 114.3 | S157 R162 | S157-S160 WeakPolarHBondContact CB-OG 3.23Å; S157-S160 PolarHBondContact OG-N 3.38Å; S157-S160 PolarHBondContact OG-OG 3.38Å; S160-R162 PolarHBondContact O-N 2.86Å; S160-R162 PolarHBondContact OG-NE 3.09Å; S160-R162 VanDerWaalsContact OG-NE 3.12Å |
| 161 | N | 95.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32 | -174.1 | -161.9 | 25.6 | 0 | 0 | 0 | 114.5 | R28 S157 L159 | R28-N161 WeakPolarHBondContact CD-OD1 3.48Å; R28-N161 HydrophobicContact CG-CB 4.39Å; R28-N161 VanDerWaalsContact CG-OD1 3.29Å; R28-N161 WeakPolarHBondContact CG-OD1 3.48Å; S157-N161 CarbonylContact O-C 3.55Å; S157-N161 VanDerWaalsContact O-CA 3.31Å; S157-N161 WeakPolarHBondContact O-CA 3.22Å; S157-N161 PolarHBondContact O-N 2.68Å; L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.36Å |
| 162 | R | 97.5 | Very high | 97.7 | Very high | 106 Ų | 106 | 42.8 Ų | 42.8 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -96.7 | 135.3 | 177.9 | -72.1 | -171.5 | -64.2 | 167.5 | 0.7 | 111.1 | E127 C156 S157 S160 V164 | E127-R162 IonicContact OE1-CZ 3.48Å; E127-R162 IonicContact OE1-NH1 2.9Å; E127-R162 PolarHBondContact OE1-NH1 3.16Å; E127-R162 IonicContact OE1-NH2 3.06Å; E127-R162 PolarHBondContact OE1-NH2 3.41Å; E127-R162 IonicContact OE2-CZ 3.53Å; E127-R162 IonicContact OE2-NH1 2.69Å; E127-R162 PolarHBondContact OE2-NH1 3.39Å; E127-R162 IonicContact OE2-NH2 2.81Å; E127-R162 PolarHBondContact OE2-NH2 3.3Å; C156-R162 CarbonylContact C-O 3.59Å; C156-R162 WeakPolarHBondContact CA-O 3.22Å; C156-R162 WeakPolarHBondContact CB-O 2.9Å; S157-R162 PolarHBondContact N-O 3.14Å; S157-R162 PolarHBondContact O-N 2.87Å; S160-R162 PolarHBondContact O-N 2.86Å; S160-R162 PolarHBondContact OG-NE 3.09Å; S160-R162 VanDerWaalsContact OG-NE 3.12Å; R162-V164 PolarHBondContact O-N 2.95Å; R162-V164 VanDerWaalsContact O-N 3.12Å |
| 163 | G | 98 | Very high | 97.7 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 74.2 | -7.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q166 V167 | G163-Q166 PolarHBondContact O-N 2.97Å; G163-Q166 PolarHBondContact O-OE1 3.48Å; G163-V167 WeakPolarHBondContact O-CG2 3.11Å; G163-V167 PolarHBondContact O-N 3.08Å |
| 164 | V | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -54.5 | -173.7 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L25 R28 F29 C156 R162 Q166 V167 F168 | L25-V164 HydrophobicContact CD1-CB 4.28Å; L25-V164 HydrophobicContact CD1-CG1 3.94Å; L25-V164 HydrophobicContact CD1-CG2 4.01Å; R28-V164 HydrophobicContact CB-CG1 4.42Å; R28-V164 HydrophobicContact CG-CB 4.45Å; R28-V164 HydrophobicContact CG-CG1 4.1Å; R28-V164 HydrophobicContact CG-CG2 3.97Å; F29-V164 HydrophobicContact CB-CG1 3.77Å; F29-V164 HydrophobicContact CD2-CG1 4.44Å; C156-V164 HydrophobicContact CB-CG2 4.44Å; R162-V164 PolarHBondContact O-N 2.95Å; R162-V164 VanDerWaalsContact O-N 3.12Å; V164-Q166 VanDerWaalsContact C-N 3.28Å; V164-Q166 PolarHBondContact O-N 3.31Å; V164-V167 PolarHBondContact O-N 2.99Å; V164-F168 HydrophobicContact CG1-CE2 4.38Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.12Å |
| 165 | Q | 96.7 | Very high | 97.5 | Very high | 121 Ų | 121 | 44.9 Ų | 44.9 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.4 | -40.1 | 178 | -71.2 | -175.2 | -14.6 | 0 | 0 | 111.8 | V167 F168 E169 | Q165-V167 VanDerWaalsContact C-N 3.29Å; Q165-V167 PolarHBondContact O-N 3.07Å; Q165-F168 PolarHBondContact O-N 3.23Å; Q165-E169 WeakPolarHBondContact O-CB 3.42Å; Q165-E169 PolarHBondContact O-N 3.08Å |
| 166 | Q | 98.3 | Very high | 97.3 | Very high | 104 Ų | 104 | 42 Ų | 42 | 49% | 0.486 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -34.3 | -179.2 | -65.4 | 80.2 | 2.4 | 0 | 0 | 112.4 | G163 V164 Y170 | G163-Q166 PolarHBondContact O-N 2.97Å; G163-Q166 PolarHBondContact O-OE1 3.48Å; V164-Q166 VanDerWaalsContact C-N 3.28Å; V164-Q166 PolarHBondContact O-N 3.31Å; Q166-Y170 WeakPolarHBondContact O-CB 3.39Å; Q166-Y170 PolarHBondContact O-N 3.38Å |
| 167 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 111 | L25 L85 V119 L154 C156 G163 V164 Q165 A171 | L25-V167 HydrophobicContact CD2-CG1 4.29Å; L85-V167 HydrophobicContact CD1-CG1 3.67Å; L85-V167 HydrophobicContact CD2-CG1 4.22Å; V119-V167 HydrophobicContact CG1-CG1 4.29Å; V119-V167 HydrophobicContact CG1-CG2 3.84Å; V119-V167 HydrophobicContact CG2-CG1 4.05Å; L154-V167 HydrophobicContact CB-CG2 3.94Å; L154-V167 HydrophobicContact CD2-CG2 4.44Å; C156-V167 HydrophobicContact CB-CG2 4.03Å; G163-V167 WeakPolarHBondContact O-CG2 3.11Å; G163-V167 PolarHBondContact O-N 3.08Å; V164-V167 PolarHBondContact O-N 2.99Å; Q165-V167 VanDerWaalsContact C-N 3.29Å; Q165-V167 PolarHBondContact O-N 3.07Å; V167-A171 WeakPolarHBondContact O-CB 3.31Å; V167-A171 PolarHBondContact O-N 2.93Å; V167-A171 VanDerWaalsContact O-N 3.1Å |
| 168 | F | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.7 | -36.5 | -177.4 | -65 | -79.6 | 0 | 0 | 0 | 112.1 | L25 F29 L59 L61 L85 V164 Q165 Y170 A171 V172 | L25-F168 HydrophobicContact CD1-CE2 3.84Å; L25-F168 HydrophobicContact CD1-CZ 4.42Å; L25-F168 HydrophobicContact CD2-CZ 4.44Å; L25-F168 HydrophobicContact CG-CE2 3.89Å; L25-F168 HydrophobicContact CG-CZ 3.95Å; F29-F168 HydrophobicContact CB-CD2 3.72Å; F29-F168 HydrophobicContact CB-CE2 3.36Å; F29-F168 HydrophobicContact CB-CZ 4.05Å; F29-F168 HydrophobicContact CD1-CD1 4.07Å; F29-F168 AromaticContact CD1-CD2 3.7Å; F29-F168 HydrophobicContact CD1-CD2 3.7Å; F29-F168 HydrophobicContact CD1-CE1 4.19Å; F29-F168 AromaticContact CD1-CE2 3.85Å; F29-F168 HydrophobicContact CD1-CE2 3.85Å; F29-F168 AromaticContact CD1-CG 3.82Å; F29-F168 HydrophobicContact CD1-CG 3.82Å; F29-F168 HydrophobicContact CD1-CZ 4.08Å; F29-F168 HydrophobicContact CD2-CB 4.14Å; F29-F168 AromaticContact CD2-CD2 3.36Å; F29-F168 HydrophobicContact CD2-CD2 3.36Å; F29-F168 AromaticContact CD2-CE2 3.99Å; F29-F168 HydrophobicContact CD2-CE2 3.99Å; F29-F168 AromaticContact CD2-CG 3.9Å; F29-F168 HydrophobicContact CD2-CG 3.9Å; F29-F168 HydrophobicContact CE1-CB 4.07Å; F29-F168 HydrophobicContact CE1-CD1 4.06Å; F29-F168 HydrophobicContact CE1-CD2 4.13Å; F29-F168 AromaticContact CE1-CG 3.81Å; F29-F168 HydrophobicContact CE1-CG 3.81Å; F29-F168 HydrophobicContact CE2-CB 3.68Å; F29-F168 AromaticContact CE2-CD2 3.84Å; F29-F168 HydrophobicContact CE2-CD2 3.84Å; F29-F168 AromaticContact CE2-CG 3.91Å; F29-F168 HydrophobicContact CE2-CG 3.91Å; F29-F168 HydrophobicContact CG-CD1 4.49Å; F29-F168 AromaticContact CG-CD2 3.29Å; F29-F168 HydrophobicContact CG-CD2 3.29Å; F29-F168 AromaticContact CG-CE2 3.46Å; F29-F168 HydrophobicContact CG-CE2 3.46Å; F29-F168 VanDerWaalsContact CG-CE2 3.46Å; F29-F168 AromaticContact CG-CG 3.86Å; F29-F168 HydrophobicContact CG-CG 3.86Å; F29-F168 HydrophobicContact CG-CZ 4.13Å; F29-F168 HydrophobicContact CZ-CB 3.64Å; F29-F168 HydrophobicContact CZ-CD1 4.5Å; F29-F168 HydrophobicContact CZ-CD2 4.2Å; F29-F168 AromaticContact CZ-CG 3.86Å; F29-F168 HydrophobicContact CZ-CG 3.86Å; L59-F168 HydrophobicContact CD2-CD1 4.49Å; L61-F168 HydrophobicContact CD1-CE1 4.47Å; L61-F168 HydrophobicContact CD2-CD1 3.86Å; L61-F168 HydrophobicContact CD2-CE1 3.67Å; L85-F168 HydrophobicContact CD1-CD1 4.34Å; L85-F168 HydrophobicContact CD1-CE1 3.94Å; L85-F168 HydrophobicContact CD1-CZ 4.44Å; V164-F168 HydrophobicContact CG1-CE2 4.38Å; V164-F168 VanDerWaalsContact O-CD2 3.28Å; V164-F168 WeakPolarHBondContact O-CD2 3.12Å; Q165-F168 PolarHBondContact O-N 3.23Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 3.16Å; F168-A171 WeakPolarHBondContact O-CB 3.41Å; F168-A171 PolarHBondContact O-N 3.06Å; F168-V172 WeakPolarHBondContact O-CG2 3.29Å; F168-V172 PolarHBondContact O-N 3.1Å |
| 169 | E | 97.5 | Very high | 96.4 | Very high | 90 Ų | 90 | 51.5 Ų | 51.5 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 173.2 | -168.1 | -162.7 | 150.8 | 0 | 0 | 111 | M52 Q165 A171 V172 R173 | M52-E169 HydrophobicContact CE-CG 3.96Å; M52-E169 WeakPolarHBondContact CE-O 3.36Å; Q165-E169 WeakPolarHBondContact O-CB 3.42Å; Q165-E169 PolarHBondContact O-N 3.08Å; E169-A171 VanDerWaalsContact C-N 3.31Å; E169-A171 PolarHBondContact O-N 3.37Å; E169-V172 PolarHBondContact O-N 3.16Å; E169-R173 WeakPolarHBondContact O-CB 3.47Å; E169-R173 PolarHBondContact O-N 3.34Å; E169-R173 IonicContact OE1-CZ 2.78Å; E169-R173 IonicContact OE1-NE 3.59Å; E169-R173 IonicContact OE1-NH2 3.79Å; E169-R173 PolarHBondContact OE1-NH2 2.71Å |
| 170 | Y | 98.5 | Very high | 96 | Very high | 97 Ų | 97 | 50.3 Ų | 50.3 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -37 | 178.8 | -164.6 | -79.5 | 0 | 0 | 0 | 111.8 | L117 K151 L154 Q166 F168 R173 T174 | L117-Y170 HydrophobicContact CD1-CD1 3.72Å; L117-Y170 HydrophobicContact CD1-CE1 4.41Å; L117-Y170 HydrophobicContact CD2-CD1 3.74Å; L117-Y170 HydrophobicContact CD2-CE1 3.57Å; L117-Y170 HydrophobicContact CG-CD1 4.4Å; K151-Y170 PolarHBondContact O-OH 2.68Å; L154-Y170 HydrophobicContact CD1-CD1 4.11Å; L154-Y170 HydrophobicContact CD1-CG 4.32Å; L154-Y170 VanDerWaalsContact CD2-CB 3.48Å; L154-Y170 HydrophobicContact CD2-CD1 4.44Å; L154-Y170 HydrophobicContact CD2-CD2 4.29Å; L154-Y170 HydrophobicContact CD2-CG 3.84Å; Q166-Y170 WeakPolarHBondContact O-CB 3.39Å; Q166-Y170 PolarHBondContact O-N 3.38Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 3.16Å; Y170-R173 PolarHBondContact O-N 3.19Å; Y170-T174 WeakPolarHBondContact CE1-OG1 3.32Å; Y170-T174 WeakPolarHBondContact O-CB 3.02Å; Y170-T174 PolarHBondContact O-N 2.9Å; Y170-T174 PolarHBondContact O-OG1 2.58Å |
| 171 | A | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -52.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V83 L85 L117 V167 F168 E169 R173 T174 V175 | V83-A171 HydrophobicContact CG1-CB 4.1Å; V83-A171 HydrophobicContact CG2-CB 4.31Å; L85-A171 HydrophobicContact CD2-CB 4.09Å; L117-A171 HydrophobicContact CD1-CB 3.89Å; V167-A171 WeakPolarHBondContact O-CB 3.31Å; V167-A171 PolarHBondContact O-N 2.93Å; V167-A171 VanDerWaalsContact O-N 3.1Å; F168-A171 WeakPolarHBondContact O-CB 3.41Å; F168-A171 PolarHBondContact O-N 3.06Å; E169-A171 VanDerWaalsContact C-N 3.31Å; E169-A171 PolarHBondContact O-N 3.37Å; A171-R173 PolarHBondContact O-N 3.03Å; A171-T174 WeakPolarHBondContact O-CB 3.23Å; A171-T174 PolarHBondContact O-N 2.77Å; A171-V175 PolarHBondContact O-N 2.94Å |
| 172 | V | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | V50 M52 I57 L59 F168 E169 T174 V175 F176 | V50-V172 HydrophobicContact CG2-CG1 4.39Å; V50-V172 HydrophobicContact CG2-CG2 4.2Å; M52-V172 HydrophobicContact CE-CB 3.75Å; M52-V172 HydrophobicContact CE-CG1 3.58Å; M52-V172 HydrophobicContact SD-CG1 3.94Å; I57-V172 HydrophobicContact CD1-CG1 3.34Å; I57-V172 HydrophobicContact CG2-CG1 4.17Å; L59-V172 HydrophobicContact CD1-CG2 4.03Å; L59-V172 HydrophobicContact CD2-CG2 3.9Å; L59-V172 HydrophobicContact CG-CG2 4.46Å; F168-V172 WeakPolarHBondContact O-CG2 3.29Å; F168-V172 PolarHBondContact O-N 3.1Å; E169-V172 PolarHBondContact O-N 3.16Å; V172-T174 VanDerWaalsContact C-N 3.26Å; V172-T174 PolarHBondContact O-N 2.59Å; V172-V175 PolarHBondContact O-N 2.97Å; V172-V175 VanDerWaalsContact O-N 3.11Å; V172-F176 VanDerWaalsContact O-CB 3.22Å; V172-F176 WeakPolarHBondContact O-CB 3.47Å; V172-F176 PolarHBondContact O-N 2.81Å |
| 173 | R | 97.7 | Very high | 94.6 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -36.9 | 178.6 | -169.2 | 176.2 | -68.3 | -87.9 | 5.3 | 112.2 | M52 E169 Y170 A171 N177 | M52-R173 HydrophobicContact CE-CB 3.83Å; M52-R173 WeakPolarHBondContact SD-CA 3.33Å; M52-R173 HydrophobicContact SD-CB 3.74Å; M52-R173 HydrophobicContact SD-CG 4.14Å; E169-R173 WeakPolarHBondContact O-CB 3.47Å; E169-R173 PolarHBondContact O-N 3.34Å; E169-R173 IonicContact OE1-CZ 2.78Å; E169-R173 IonicContact OE1-NE 3.59Å; E169-R173 IonicContact OE1-NH2 3.79Å; E169-R173 PolarHBondContact OE1-NH2 2.71Å; Y170-R173 PolarHBondContact O-N 3.19Å; A171-R173 PolarHBondContact O-N 3.03Å; R173-N177 VanDerWaalsContact O-CB 3.28Å; R173-N177 WeakPolarHBondContact O-CB 3.39Å; R173-N177 VanDerWaalsContact O-CG 3.25Å; R173-N177 PolarHBondContact O-N 2.94Å; R173-N177 PolarHBondContact O-ND2 2.95Å |
| 174 | T | 97.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 17% | 0.166 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | P115 K151 Y170 A171 V172 K178 | P115-T174 HydrophobicContact CB-CG2 3.68Å; P115-T174 HydrophobicContact CG-CG2 3.88Å; K151-T174 HydrophobicContact CB-CG2 4.45Å; Y170-T174 WeakPolarHBondContact CE1-OG1 3.32Å; Y170-T174 WeakPolarHBondContact O-CB 3.02Å; Y170-T174 PolarHBondContact O-N 2.9Å; Y170-T174 PolarHBondContact O-OG1 2.58Å; A171-T174 WeakPolarHBondContact O-CB 3.23Å; A171-T174 PolarHBondContact O-N 2.77Å; V172-T174 VanDerWaalsContact C-N 3.26Å; V172-T174 PolarHBondContact O-N 2.59Å; T174-K178 PolarHBondContact O-N 3.09Å |
| 175 | V | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.2 | -45.5 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 111 | V10 D82 V83 A171 V172 N177 K178 H179 | V10-V175 HydrophobicContact CG1-CB 4.24Å; V10-V175 HydrophobicContact CG1-CG1 4.34Å; V10-V175 HydrophobicContact CG1-CG2 3.97Å; V10-V175 HydrophobicContact CG2-CB 4.18Å; V10-V175 HydrophobicContact CG2-CG1 3.86Å; D82-V175 HydrophobicContact CB-CG1 3.87Å; D82-V175 HydrophobicContact CB-CG2 3.82Å; V83-V175 HydrophobicContact CB-CG2 3.73Å; V83-V175 HydrophobicContact CG1-CG2 3.88Å; A171-V175 PolarHBondContact O-N 2.94Å; V172-V175 PolarHBondContact O-N 2.97Å; V172-V175 VanDerWaalsContact O-N 3.11Å; V175-N177 PolarHBondContact O-N 3.49Å; V175-K178 WeakPolarHBondContact O-CA 3.15Å; V175-K178 VanDerWaalsContact O-CB 3.31Å; V175-K178 WeakPolarHBondContact O-CB 3.23Å; V175-K178 PolarHBondContact O-N 2.97Å; V175-K178 VanDerWaalsContact O-N 3.09Å; V175-H179 PolarHBondContact O-N 2.92Å |
| 176 | F | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | -179.8 | -176.4 | -103.3 | 0 | 0 | 0 | 112.4 | L8 M52 D53 V55 I57 V172 K178 H179 K180 | L8-F176 HydrophobicContact CD2-CB 4.41Å; L8-F176 HydrophobicContact CD2-CD2 3.73Å; M52-F176 HydrophobicContact CG-CD1 4.27Å; M52-F176 HydrophobicContact CG-CE1 4.34Å; M52-F176 HydrophobicContact SD-CB 3.98Å; M52-F176 HydrophobicContact SD-CD1 4.04Å; M52-F176 HydrophobicContact SD-CG 4.07Å; D53-F176 HydrophobicContact CB-CE1 4.11Å; D53-F176 HydrophobicContact CB-CZ 4.08Å; D53-F176 WeakPolarHBondContact OD2-CE1 3.37Å; V55-F176 HydrophobicContact CB-CE2 3.97Å; V55-F176 HydrophobicContact CB-CZ 4.45Å; V55-F176 HydrophobicContact CG1-CE2 4.28Å; V55-F176 HydrophobicContact CG2-CE2 3.96Å; V55-F176 HydrophobicContact CG2-CZ 4.11Å; I57-F176 HydrophobicContact CD1-CD2 3.96Å; I57-F176 HydrophobicContact CD1-CE2 4.48Å; V172-F176 VanDerWaalsContact O-CB 3.22Å; V172-F176 WeakPolarHBondContact O-CB 3.47Å; V172-F176 PolarHBondContact O-N 2.81Å; F176-K178 VanDerWaalsContact C-N 3.3Å; F176-K178 PolarHBondContact O-N 3.37Å; F176-H179 WeakPolarHBondContact O-CB 3.46Å; F176-H179 PolarHBondContact O-N 2.8Å; F176-H179 VanDerWaalsContact O-N 3.17Å; F176-K180 HydrophobicContact CD1-CD 4.1Å; F176-K180 HydrophobicContact CE1-CD 3.6Å; F176-K180 HydrophobicContact CE1-CG 4.32Å; F176-K180 HydrophobicContact CZ-CD 4.08Å; F176-K180 PolarHBondContact O-N 2.55Å |
| 177 | N | 93.9 | Very high | 90.8 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 175.9 | -75.6 | -21.9 | 0 | 0 | 0 | 112.6 | R173 V175 K181 | R173-N177 VanDerWaalsContact O-CB 3.28Å; R173-N177 WeakPolarHBondContact O-CB 3.39Å; R173-N177 VanDerWaalsContact O-CG 3.25Å; R173-N177 PolarHBondContact O-N 2.94Å; R173-N177 PolarHBondContact O-ND2 2.95Å; V175-N177 PolarHBondContact O-N 3.49Å; N177-K181 WeakPolarHBondContact O-CB 3.09Å; N177-K181 PolarHBondContact O-N 3.47Å |
| 178 | K | 91.4 | Very high | 89.4 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 30% | 0.296 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.5 | -173.1 | -176.9 | 179.6 | -177.5 | 0 | 111 | R113 T174 V175 F176 R182 | R113-K178 PolarHBondContact O-NZ 3.45Å; T174-K178 PolarHBondContact O-N 3.09Å; V175-K178 WeakPolarHBondContact O-CA 3.15Å; V175-K178 VanDerWaalsContact O-CB 3.31Å; V175-K178 WeakPolarHBondContact O-CB 3.23Å; V175-K178 PolarHBondContact O-N 2.97Å; V175-K178 VanDerWaalsContact O-N 3.09Å; F176-K178 VanDerWaalsContact C-N 3.3Å; F176-K178 PolarHBondContact O-N 3.37Å; K178-R182 WeakPolarHBondContact O-CG 3.32Å; K178-R182 PolarHBondContact O-N 3.13Å; K178-R182 VanDerWaalsContact O-N 3.14Å |
| 179 | H | 88.7 | Confident | 88.1 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -53.5 | 173.1 | -93 | -96.8 | 0 | 0 | 0 | 112 | V175 F176 K181 R182 E183 | V175-H179 PolarHBondContact O-N 2.92Å; F176-H179 WeakPolarHBondContact O-CB 3.46Å; F176-H179 PolarHBondContact O-N 2.8Å; F176-H179 VanDerWaalsContact O-N 3.17Å; H179-K181 PolarHBondContact O-N 3.34Å; H179-R182 WeakPolarHBondContact O-CB 3.43Å; H179-R182 PolarHBondContact O-N 3.2Å; H179-E183 PolarHBondContact O-N 3.43Å |
| 180 | K | 87.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.1 | -41.3 | 176.7 | -81.2 | -174.3 | 167.2 | 173.9 | 0 | 112.3 | D53 F176 R184 | D53-K180 IonicContact OD2-NZ 3.94Å; D53-K180 PolarHBondContact OD2-NZ 2.91Å; F176-K180 HydrophobicContact CD1-CD 4.1Å; F176-K180 HydrophobicContact CE1-CD 3.6Å; F176-K180 HydrophobicContact CE1-CG 4.32Å; F176-K180 HydrophobicContact CZ-CD 4.08Å; F176-K180 PolarHBondContact O-N 2.55Å; K180-R184 WeakPolarHBondContact O-CG 3.3Å; K180-R184 PolarHBondContact O-N 3.31Å; K180-R184 VanDerWaalsContact O-N 3.08Å |
| 181 | K | 87.9 | Confident | 84.6 | Confident | 123 Ų | 123 | 87.8 Ų | 87.8 | 54% | 0.535 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 177.9 | -171.5 | 173.4 | -175.6 | 173 | 0 | 113 | N177 H179 R185 | N177-K181 WeakPolarHBondContact O-CB 3.09Å; N177-K181 PolarHBondContact O-N 3.47Å; H179-K181 PolarHBondContact O-N 3.34Å; K181-R185 WeakPolarHBondContact O-CG 3.1Å; K181-R185 PolarHBondContact O-N 3.38Å |
| 182 | R | 85.4 | Confident | 82.6 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.6 | -76.6 | 170.9 | 168.8 | -176.7 | -6.9 | 111.3 | K178 H179 R185 R186 | K178-R182 WeakPolarHBondContact O-CG 3.32Å; K178-R182 PolarHBondContact O-N 3.13Å; K178-R182 VanDerWaalsContact O-N 3.14Å; H179-R182 WeakPolarHBondContact O-CB 3.43Å; H179-R182 PolarHBondContact O-N 3.2Å; R182-R185 PolarHBondContact O-N 3.15Å; R182-R186 PolarHBondContact O-N 3.37Å |
| 183 | E | 83.9 | Confident | 80.9 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.3 | -69 | -54.7 | 111.9 | 0 | 0 | 112 | H179 R185 R186 M187 | H179-E183 PolarHBondContact O-N 3.43Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 3.21Å; E183-R186 PolarHBondContact O-N 2.82Å; E183-R186 IonicContact OE1-CZ 2.96Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.21Å; E183-M187 PolarHBondContact O-N 2.74Å |
| 184 | R | 82.4 | Confident | 79.3 | Confident | 170 Ų | 170 | 103.7 Ų | 103.7 | 64% | 0.642 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.3 | -46.5 | 173.5 | -73.7 | 177.6 | -179 | -175.6 | 0.4 | 112 | K180 R186 M187 F188 | K180-R184 WeakPolarHBondContact O-CG 3.3Å; K180-R184 PolarHBondContact O-N 3.31Å; K180-R184 VanDerWaalsContact O-N 3.08Å; R184-R186 PolarHBondContact O-N 2.61Å; R184-M187 PolarHBondContact O-N 3.08Å; R184-F188 WeakPolarHBondContact O-CD2 3.5Å; R184-F188 PolarHBondContact O-N 3.24Å; R184-F188 VanDerWaalsContact O-N 3.09Å |
| 185 | R | 80.7 | Confident | 77.5 | Confident | 162 Ų | 162 | 109.1 Ų | 109.1 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 179 | -75.9 | 174.2 | 173.8 | -171.8 | -6.4 | 112.9 | K181 R182 E183 F188 S189 | K181-R185 WeakPolarHBondContact O-CG 3.1Å; K181-R185 PolarHBondContact O-N 3.38Å; R182-R185 PolarHBondContact O-N 3.15Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 3.21Å; R185-F188 PolarHBondContact O-N 3.48Å; R185-S189 PolarHBondContact O-N 3.1Å |
| 186 | R | 76.6 | Confident | 75.7 | Confident | 158 Ų | 158 | 121.1 Ų | 121.1 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.1 | -47.5 | 175.9 | -75.5 | 174 | 169 | 173.3 | -11.4 | 111.1 | R182 E183 R184 F188 S189 M190 | R182-R186 PolarHBondContact O-N 3.37Å; E183-R186 PolarHBondContact O-N 2.82Å; E183-R186 IonicContact OE1-CZ 2.96Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.21Å; R184-R186 PolarHBondContact O-N 2.61Å; R186-F188 VanDerWaalsContact C-N 3.34Å; R186-F188 PolarHBondContact O-N 2.81Å; R186-S189 PolarHBondContact O-N 3.28Å; R186-S189 VanDerWaalsContact O-N 3.07Å; R186-S189 PolarHBondContact O-OG 3.03Å; R186-M190 PolarHBondContact O-N 3.14Å; R186-M190 VanDerWaalsContact O-N 3.15Å |
| 187 | M | 71.6 | Confident | 74.7 | Confident | 122 Ų | 122 | 127.2 Ų | 127.2 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -43.6 | 178.3 | -165.8 | -179.1 | -67.2 | 0 | 0 | 112.3 | E183 R184 S189 N191 | E183-M187 PolarHBondContact O-N 2.74Å; R184-M187 PolarHBondContact O-N 3.08Å; M187-S189 PolarHBondContact O-N 2.91Å; M187-N191 PolarHBondContact O-N 3.28Å; M187-N191 PolarHBondContact O-ND2 3.04Å |
| 188 | F | 70.2 | Confident | 73.7 | Confident | 155 Ų | 155 | 129.5 Ų | 129.5 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.1 | -29.4 | 175.4 | -74.3 | -68.6 | 0 | 0 | 0 | 113.7 | R184 R185 R186 | R184-F188 WeakPolarHBondContact O-CD2 3.5Å; R184-F188 PolarHBondContact O-N 3.24Å; R184-F188 VanDerWaalsContact O-N 3.09Å; R185-F188 PolarHBondContact O-N 3.48Å; R186-F188 VanDerWaalsContact C-N 3.34Å; R186-F188 PolarHBondContact O-N 2.81Å |
| 189 | S | 69.6 | Low | 72.7 | Confident | 76 Ų | 76 | 132.9 Ų | 132.9 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -32.9 | 178 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | R185 R186 M187 N191 | R185-S189 PolarHBondContact O-N 3.1Å; R186-S189 PolarHBondContact O-N 3.28Å; R186-S189 VanDerWaalsContact O-N 3.07Å; R186-S189 PolarHBondContact O-OG 3.03Å; M187-S189 PolarHBondContact O-N 2.91Å; S189-N191 VanDerWaalsContact C-N 3.34Å |
| 190 | M | 61.6 | Low | 71.8 | Confident | 156 Ų | 156 | 137.6 Ų | 137.6 | 77% | 0.768 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.8 | -27.5 | 177.8 | -74 | 170.8 | 55.3 | 0 | 0 | 112.4 | R186 Q192 | R186-M190 PolarHBondContact O-N 3.14Å; R186-M190 VanDerWaalsContact O-N 3.15Å; M190-Q192 PolarHBondContact O-N 2.97Å |
| 191 | N | 61.3 | Low | 70.8 | Confident | 119 Ų | 119 | 142 Ų | 142 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 21.8 | -175 | -66.1 | -11.3 | 0 | 0 | 0 | 113.5 | M187 S189 C193 | M187-N191 PolarHBondContact O-N 3.28Å; M187-N191 PolarHBondContact O-ND2 3.04Å; S189-N191 VanDerWaalsContact C-N 3.34Å; N191-C193 PolarHBondContact O-N 3.32Å |
| 192 | Q | 57.3 | Low | 69.7 | Low | 143 Ų | 143 | 143.3 Ų | 143.3 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | trans | -68.7 | 103.5 | 171.8 | -75.1 | -168.4 | -1.3 | 0 | 0 | 109.8 | M190 K194 | M190-Q192 PolarHBondContact O-N 2.97Å; Q192-K194 PolarHBondContact O-N 2.94Å; Q192-K194 VanDerWaalsContact O-N 3.11Å | ||
| 193 | C | 62.9 | Low | 68.5 | Low | 126 Ų | 126 | 144.4 Ų | 144.4 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | trans | -63.2 | 108.7 | 168.1 | -151.5 | 0 | 0 | 0 | 0 | 107.9 | N191 | N191-C193 PolarHBondContact O-N 3.32Š| ||
| 194 | K | 63.6 | Low | 67.3 | Low | 156 Ų | 156 | 149.2 Ų | 149.2 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -88.4 | 117.3 | 173.3 | -68 | -176.2 | 179.6 | -179.5 | 0 | 107.7 | Q192 | Q192-K194 PolarHBondContact O-N 2.94Å; Q192-K194 VanDerWaalsContact O-N 3.11Å | ||
| 195 | V | 59.4 | Low | 66.1 | Low | 141 Ų | 141 | 147.4 Ų | 147.4 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | -79 | 122.2 | 164.1 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 196 | F | 58.2 | Low | 64.8 | Low | 255 Ų | 255 | 146.1 Ų | 146.1 | 100% | 1.118 | 73% | 0.726 | S | S | * | * | trans | -87.2 | 0 | 168 | -69.7 | -82 | 0 | 0 | 0 | 109.4 |
Retrieved 196 of 196 residues in 70.4 ms
(Link to these results)