| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 51.8 | Low | 249 Ų | 249 | 109.1 Ų | 109.1 | 100% | 1.227 | 66% | 0.664 | S | S | * | * | 0 | 105.4 | 0 | -74.6 | 169.3 | -173.4 | 0 | 0 | 105.9 | |||||
| 2 | A | 31.3 | Very low | 55.6 | Low | 101 Ų | 101 | 100 Ų | 100 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | trans | -81 | 127.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | D | 33.2 | Very low | 58.9 | Low | 147 Ų | 147 | 92.3 Ų | 92.3 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | trans | -48.4 | 134.3 | 167.8 | -93.7 | -40.4 | 0 | 0 | 0 | 109.2 | K5 | D3-K5 PolarHBondContact O-N 2.82Š| ||
| 4 | P | 40 | Very low | 61.7 | Low | 115 Ų | 115 | 85.7 Ų | 85.7 | 75% | 0.747 | 52% | 0.522 | S | S | * | . | trans | -62.3 | 110 | 169.1 | 27.5 | -29.1 | 0 | 0 | 0 | 106.1 | T6 | P4-T6 VanDerWaalsContact C-N 3.33Å; P4-T6 PolarHBondContact O-N 3.08Å | ||
| 5 | K | 39.1 | Very low | 64.2 | Low | 200 Ų | 200 | 80 Ų | 80 | 87% | 0.87 | 49% | 0.487 | S | S | * | . | trans | -53.2 | 99.9 | 172.2 | -76.5 | 178.6 | 174.7 | 179 | 0 | 107.7 | D3 A7 | D3-K5 PolarHBondContact O-N 2.82Å; K5-A7 PolarHBondContact O-N 2.89Å | ||
| 6 | T | 46.3 | Very low | 66.3 | Low | 104 Ų | 104 | 75.1 Ų | 75.1 | 64% | 0.638 | 46% | 0.457 | S | S | * | . | trans | -52.8 | 109.5 | 157.8 | 11.4 | 0 | 0 | 0 | 0 | 105.1 | P4 A8 | P4-T6 VanDerWaalsContact C-N 3.33Å; P4-T6 PolarHBondContact O-N 3.08Å; T6-A8 PolarHBondContact O-N 3.4Å | ||
| 7 | A | 45.4 | Very low | 68.2 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | trans | -55.4 | 115.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106 | K5 V9 | K5-A7 PolarHBondContact O-N 2.89Å; A7-V9 WeakPolarHBondContact O-CG2 3.4Å; A7-V9 PolarHBondContact O-N 2.61Å | ||
| 8 | A | 54.8 | Low | 69.9 | Low | 101 Ų | 101 | 66.8 Ų | 66.8 | 84% | 0.835 | 41% | 0.407 | S | S | * | . | trans | -62.9 | 100.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | T6 G10 | T6-A8 PolarHBondContact O-N 3.4Å; A8-G10 PolarHBondContact O-N 3.43Å | ||
| 9 | V | 67.9 | Low | 71.1 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 30% | 0.297 | 39% | 0.394 | S | S | . | . | trans | -67.2 | -4.9 | -171.9 | -162.7 | 0 | 0 | 0 | 0 | 112.3 | A7 L12 S29 L36 V80 | A7-V9 WeakPolarHBondContact O-CG2 3.4Å; A7-V9 PolarHBondContact O-N 2.61Å; V9-L12 HydrophobicContact CB-CD2 4.31Å; V9-L12 HydrophobicContact CG1-CD2 3.89Å; V9-S29 PolarHBondContact O-OG 3.29Å; V9-L36 HydrophobicContact CG1-CD1 3.4Å; V9-L36 HydrophobicContact CG1-CD2 3.64Å; V9-L36 HydrophobicContact CG1-CG 4.15Å; V9-V80 HydrophobicContact CG2-CG2 4.37Å | ||
| 10 | G | 80.1 | Confident | 72.1 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | trans | 76 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A8 L12 | A8-G10 PolarHBondContact O-N 3.43Å; G10-L12 PolarHBondContact O-N 3.32Å | ||
| 11 | P | 94.3 | Very high | 72.9 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 24% | 0.24 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -57.5 | 138.8 | 170.5 | -19.2 | 31.6 | 0 | 0 | 0 | 110.3 | S30 K86 V471 | P11-S30 WeakPolarHBondContact O-CB 3.15Å; P11-S30 PolarHBondContact O-N 3.3Å; P11-S30 PolarHBondContact O-OG 3.19Å; P11-K86 HydrophobicContact CB-CG 4.04Å; P11-V471 HydrophobicContact CB-CB 3.79Å; P11-V471 HydrophobicContact CB-CG1 3.85Å; P11-V471 HydrophobicContact CB-CG2 4.32Å; P11-V471 HydrophobicContact CG-CB 4.26Å; P11-V471 HydrophobicContact CG-CG1 4.25Å |
| 12 | L | 97.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 152.6 | 178 | -52.7 | -175 | 0 | 0 | 0 | 109.9 | V9 G10 V27 F28 L36 V80 N84 I85 K86 | V9-L12 HydrophobicContact CB-CD2 4.31Å; V9-L12 HydrophobicContact CG1-CD2 3.89Å; G10-L12 PolarHBondContact O-N 3.32Å; L12-V27 HydrophobicContact CB-CG1 3.85Å; L12-V27 HydrophobicContact CD1-CG1 3.95Å; L12-V27 HydrophobicContact CG-CG1 4.42Å; L12-F28 CarbonylContact C-O 3.44Å; L12-F28 VanDerWaalsContact CA-O 3.29Å; L12-F28 WeakPolarHBondContact CA-O 3.37Å; L12-L36 HydrophobicContact CD1-CD1 3.99Å; L12-L36 HydrophobicContact CD2-CD1 3.27Å; L12-L36 HydrophobicContact CG-CD1 4.24Å; L12-V80 HydrophobicContact CD1-CG1 3.61Å; L12-N84 HydrophobicContact CD1-CB 4.12Å; L12-N84 HydrophobicContact CG-CB 3.89Å; L12-N84 PolarHBondContact N-O 2.88Å; L12-I85 HydrophobicContact CB-CG1 3.92Å; L12-I85 HydrophobicContact CD1-CG1 4.34Å; L12-I85 CarbonylContact O-C 3.6Å; L12-I85 WeakPolarHBondContact O-CA 3.41Å; L12-K86 PolarHBondContact O-N 2.77Å |
| 13 | V | 98.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.9 | 173.8 | -171 | 0 | 0 | 0 | 0 | 109 | F28 A87 A460 A463 V471 W472 | V13-F28 PolarHBondContact N-O 2.99Å; V13-F28 PolarHBondContact O-N 3.28Å; V13-A87 HydrophobicContact CG1-CB 4.15Å; V13-A87 WeakPolarHBondContact CG1-O 3.27Å; V13-A460 HydrophobicContact CB-CB 4.2Å; V13-A460 HydrophobicContact CG1-CB 3.92Å; V13-A460 WeakPolarHBondContact CG1-O 3.44Å; V13-A463 HydrophobicContact CG1-CB 4.03Å; V13-V471 HydrophobicContact CG2-CG2 3.6Å; V13-W472 HydrophobicContact CB-CE3 4.41Å; V13-W472 HydrophobicContact CB-CZ3 4.5Å; V13-W472 HydrophobicContact CG2-CE3 4.03Å |
| 14 | G | 98.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 152.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L26 A87 V88 G89 | G14-L26 CarbonylContact C-O 3.47Å; G14-L26 VanDerWaalsContact CA-O 3.32Å; G14-L26 WeakPolarHBondContact CA-O 2.81Å; G14-A87 PolarHBondContact N-O 3.21Å; G14-V88 CarbonylContact O-C 3.59Å; G14-V88 VanDerWaalsContact O-CA 3.31Å; G14-V88 WeakPolarHBondContact O-CA 3.45Å; G14-G89 PolarHBondContact O-N 3.48Å |
| 15 | A | 98.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F25 L26 F28 G89 A456 A459 A460 | A15-F25 WeakPolarHBondContact O-CA 3.42Å; A15-F25 WeakPolarHBondContact O-CD2 3.32Å; A15-L26 PolarHBondContact N-O 2.91Å; A15-L26 PolarHBondContact O-N 3.49Å; A15-F28 HydrophobicContact CB-CE2 4.42Å; A15-G89 CarbonylContact C-O 3.56Å; A15-G89 WeakPolarHBondContact CA-O 3.42Å; A15-A456 HydrophobicContact CB-CB 4.23Å; A15-A456 WeakPolarHBondContact CB-O 3.33Å; A15-A459 HydrophobicContact CB-CB 4.14Å; A15-A460 HydrophobicContact CB-CB 4.12Å |
| 16 | V | 98.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.9 | 166 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | R24 F25 V64 I68 V88 G89 I90 S91 L182 | V16-R24 CarbonylContact C-O 3.46Å; V16-R24 WeakPolarHBondContact CA-O 3.26Å; V16-F25 HydrophobicContact CG2-CD2 3.66Å; V16-F25 HydrophobicContact CG2-CE2 4.17Å; V16-V64 HydrophobicContact CG1-CG1 3.95Å; V16-V64 HydrophobicContact CG1-CG2 3.86Å; V16-V64 HydrophobicContact CG2-CG1 4.04Å; V16-I68 HydrophobicContact CG2-CD1 4.22Å; V16-I68 HydrophobicContact CG2-CG1 4.48Å; V16-V88 HydrophobicContact CG2-CG1 4.12Å; V16-G89 PolarHBondContact N-O 3.35Å; V16-I90 HydrophobicContact CB-CG1 4.38Å; V16-S91 PolarHBondContact O-N 2.83Å; V16-L182 HydrophobicContact CG1-CD1 4.35Å |
| 17 | V | 98.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 98.5 | 170 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | G19 T23 R24 L26 S91 T455 A456 | V17-G19 PolarHBondContact O-N 3.33Å; V17-T23 WeakPolarHBondContact O-CA 3.49Å; V17-R24 HydrophobicContact CB-CB 4.49Å; V17-R24 PolarHBondContact N-O 3.01Å; V17-R24 PolarHBondContact O-N 3.48Å; V17-L26 HydrophobicContact CG2-CD1 4.32Å; V17-S91 CarbonylContact C-O 3.54Å; V17-S91 WeakPolarHBondContact CA-O 3.19Å; V17-T455 HydrophobicContact CG1-CG2 3.79Å; V17-T455 HydrophobicContact CG2-CG2 4.19Å; V17-A456 HydrophobicContact CG2-CB 3.58Å |
| 18 | Q | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 95.7 | 173.6 | -160.9 | -70.9 | -35.3 | 0 | 0 | 108.4 | L43 I60 S91 N92 Q93 I178 L182 | Q18-L43 VanDerWaalsContact NE2-CD1 3.26Å; Q18-I60 HydrophobicContact CG-CG2 3.57Å; Q18-S91 PolarHBondContact N-O 2.65Å; Q18-N92 HydrophobicContact CB-CB 4.35Å; Q18-N92 CarbonylContact O-C 3.59Å; Q18-N92 WeakPolarHBondContact O-CA 3.45Å; Q18-Q93 PolarHBondContact O-N 2.63Å; Q18-Q93 VanDerWaalsContact OE1-NE2 3.09Å; Q18-I178 HydrophobicContact CB-CG2 4.03Å; Q18-I178 HydrophobicContact CG-CG2 3.72Å; Q18-L182 HydrophobicContact CB-CD1 3.9Å; Q18-L182 HydrophobicContact CG-CD1 4.18Å |
| 19 | G | 94 | Very high | 94.1 | Very high | 16 Ų | 16 | 14.5 Ų | 14.5 | 17% | 0.165 | 9% | 0.087 | C | C | . | . | trans | -92.8 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V17 N21 S22 | V17-G19 PolarHBondContact O-N 3.33Å; G19-N21 VanDerWaalsContact C-N 3.34Å; G19-N21 PolarHBondContact O-N 2.73Å; G19-S22 WeakPolarHBondContact CA-O 3.06Å; G19-S22 PolarHBondContact N-O 3.45Å | ||
| 20 | T | 89.7 | Confident | 95.2 | Very high | 22 Ų | 22 | 12.7 Ų | 12.7 | 14% | 0.135 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -67.1 | -30.5 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 114 | Q45 Q55 Q93 V113 W114 L115 | T20-Q45 PolarHBondContact O-NE2 3.14Å; T20-Q55 PolarHBondContact O-NE2 3.26Å; T20-Q93 VanDerWaalsContact CA-OE1 3.26Å; T20-Q93 VanDerWaalsContact CB-OE1 3.26Å; T20-Q93 PolarHBondContact OG1-OE1 2.97Å; T20-V113 HydrophobicContact CG2-CG1 3.99Å; T20-W114 PolarHBondContact OG1-NE1 2.77Å; T20-L115 HydrophobicContact CG2-CD2 3.8Å |
| 21 | N | 88.7 | Confident | 95.6 | Very high | 97 Ų | 97 | 19.2 Ų | 19.2 | 52% | 0.519 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -107.7 | -12.2 | -178.6 | -57.2 | -53.5 | 0 | 0 | 0 | 113.5 | G19 L43 Q45 | G19-N21 VanDerWaalsContact C-N 3.34Å; G19-N21 PolarHBondContact O-N 2.73Å; N21-L43 PolarHBondContact O-N 3.14Å; N21-Q45 PolarHBondContact OD1-NE2 3.05Å |
| 22 | S | 94.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 150.3 | -173.1 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | G19 K40 V41 | G19-S22 WeakPolarHBondContact CA-O 3.06Å; G19-S22 PolarHBondContact N-O 3.45Å; S22-K40 VanDerWaalsContact OG-CE 3.28Å; S22-K40 WeakPolarHBondContact OG-CE 3.44Å; S22-V41 CarbonylContact C-O 3.58Å; S22-V41 WeakPolarHBondContact CA-O 3.5Å; S22-V41 WeakPolarHBondContact CB-O 3.47Å |
| 23 | T | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.7 | 166.7 | -62.9 | 0 | 0 | 0 | 0 | 110 | V17 K40 V41 S63 V64 C67 | V17-T23 WeakPolarHBondContact O-CA 3.49Å; T23-K40 WeakPolarHBondContact O-CA 3.32Å; T23-V41 PolarHBondContact N-O 3.01Å; T23-V41 PolarHBondContact O-N 2.94Å; T23-S63 WeakPolarHBondContact CB-OG 3.45Å; T23-S63 PolarHBondContact OG1-OG 3.09Å; T23-V64 HydrophobicContact CG2-CB 4.25Å; T23-V64 HydrophobicContact CG2-CG2 3.53Å; T23-C67 HydrophobicContact CG2-CB 4.49Å; T23-C67 PolarHBondContact O-SG 2.74Å; T23-C67 VanDerWaalsContact O-SG 3.35Å |
| 24 | R | 97.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 18% | 0.181 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.3 | 174.4 | -66.6 | 168.5 | -75.6 | 168.1 | 5.9 | 110.4 | V16 V17 L26 H39 K40 E453 | V16-R24 CarbonylContact C-O 3.46Å; V16-R24 WeakPolarHBondContact CA-O 3.26Å; V17-R24 HydrophobicContact CB-CB 4.49Å; V17-R24 PolarHBondContact N-O 3.01Å; V17-R24 PolarHBondContact O-N 3.48Å; R24-L26 HydrophobicContact CB-CD1 3.61Å; R24-H39 VanDerWaalsContact CA-O 3.26Å; R24-H39 WeakPolarHBondContact CA-O 3.4Å; R24-K40 HydrophobicContact CG-CB 3.8Å; R24-K40 HydrophobicContact CG-CG 3.7Å; R24-E453 IonicContact CZ-OE1 2.96Å; R24-E453 IonicContact CZ-OE2 3.36Å; R24-E453 IonicContact NH1-OE1 2.74Å; R24-E453 PolarHBondContact NH1-OE1 2.86Å; R24-E453 IonicContact NH1-OE2 2.74Å; R24-E453 PolarHBondContact NH1-OE2 2.85Å |
| 25 | F | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.4 | 163.2 | -176 | -112.2 | 0 | 0 | 0 | 108.7 | A15 V16 V27 H38 H39 C67 I68 T71 V88 L248 | A15-F25 WeakPolarHBondContact O-CA 3.42Å; A15-F25 WeakPolarHBondContact O-CD2 3.32Å; V16-F25 HydrophobicContact CG2-CD2 3.66Å; V16-F25 HydrophobicContact CG2-CE2 4.17Å; F25-V27 HydrophobicContact CD1-CG2 4.22Å; F25-V27 HydrophobicContact CE1-CG2 3.53Å; F25-V27 HydrophobicContact CZ-CG2 3.97Å; F25-H38 CarbonylContact O-C 3.26Å; F25-H38 WeakPolarHBondContact O-CA 3.15Å; F25-H38 WeakPolarHBondContact O-CB 3.4Å; F25-H39 PolarHBondContact N-O 3.19Å; F25-H39 PolarHBondContact O-N 3.48Å; F25-C67 HydrophobicContact CB-CB 3.64Å; F25-I68 HydrophobicContact CB-CG1 4.29Å; F25-I68 HydrophobicContact CD1-CB 4.4Å; F25-I68 HydrophobicContact CD1-CG1 4.08Å; F25-I68 HydrophobicContact CD2-CG1 3.85Å; F25-I68 HydrophobicContact CE1-CG1 4.36Å; F25-I68 HydrophobicContact CE2-CG1 4.15Å; F25-I68 HydrophobicContact CG-CG1 3.81Å; F25-I68 HydrophobicContact CZ-CG1 4.39Å; F25-T71 HydrophobicContact CD1-CG2 3.79Å; F25-T71 HydrophobicContact CE1-CG2 4.2Å; F25-T71 PolarHBondContact O-OG1 2.69Å; F25-V88 HydrophobicContact CE2-CG1 4.17Å; F25-V88 HydrophobicContact CE2-CG2 4.24Å; F25-V88 HydrophobicContact CZ-CG2 4.38Å; F25-L248 HydrophobicContact CE1-CD1 4.09Å; F25-L248 HydrophobicContact CE2-CD1 4.3Å; F25-L248 HydrophobicContact CZ-CD1 3.56Å |
| 26 | L | 98.2 | Very high | 94 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.8 | -174.8 | -62.4 | 89.5 | 0 | 0 | 0 | 108.9 | G14 A15 V17 R24 F28 L35 H38 E453 A456 | G14-L26 CarbonylContact C-O 3.47Å; G14-L26 VanDerWaalsContact CA-O 3.32Å; G14-L26 WeakPolarHBondContact CA-O 2.81Å; A15-L26 PolarHBondContact N-O 2.91Å; A15-L26 PolarHBondContact O-N 3.49Å; V17-L26 HydrophobicContact CG2-CD1 4.32Å; R24-L26 HydrophobicContact CB-CD1 3.61Å; L26-F28 HydrophobicContact CB-CD2 4.45Å; L26-F28 HydrophobicContact CB-CE2 3.63Å; L26-F28 HydrophobicContact CB-CZ 3.98Å; L26-F28 HydrophobicContact CD2-CZ 4.06Å; L26-L35 HydrophobicContact CB-CD1 3.76Å; L26-L35 HydrophobicContact CD2-CD1 3.88Å; L26-L35 HydrophobicContact CD2-CD2 4.18Å; L26-L35 HydrophobicContact CG-CD1 4.24Å; L26-H38 HydrophobicContact CB-CB 4.32Å; L26-H38 HydrophobicContact CD2-CB 4.28Å; L26-H38 HydrophobicContact CG-CB 3.79Å; L26-E453 HydrophobicContact CD2-CB 3.78Å; L26-E453 HydrophobicContact CD2-CG 3.81Å; L26-A456 HydrophobicContact CB-CB 4.2Å; L26-A456 HydrophobicContact CD1-CB 3.64Å; L26-A456 HydrophobicContact CD2-CB 3.82Å; L26-A456 HydrophobicContact CG-CB 4.09Å |
| 27 | V | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.2 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | L12 F25 L36 S37 T71 L75 I85 | L12-V27 HydrophobicContact CB-CG1 3.85Å; L12-V27 HydrophobicContact CD1-CG1 3.95Å; L12-V27 HydrophobicContact CG-CG1 4.42Å; F25-V27 HydrophobicContact CD1-CG2 4.22Å; F25-V27 HydrophobicContact CE1-CG2 3.53Å; F25-V27 HydrophobicContact CZ-CG2 3.97Å; V27-L36 PolarHBondContact O-N 3.36Å; V27-S37 PolarHBondContact N-O 3.34Å; V27-T71 HydrophobicContact CG2-CG2 3.86Å; V27-L75 HydrophobicContact CB-CD1 4.13Å; V27-L75 HydrophobicContact CG1-CD1 4.03Å; V27-L75 HydrophobicContact CG2-CD1 3.95Å; V27-I85 HydrophobicContact CG1-CD1 4.15Å; V27-I85 HydrophobicContact CG1-CG1 4.12Å; V27-I85 HydrophobicContact CG2-CD1 3.91Å |
| 28 | F | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.5 | -176.7 | -60.7 | -89.5 | 0 | 0 | 0 | 111.4 | L12 V13 A15 L26 E34 L35 M451 A456 L457 A460 W472 | L12-F28 CarbonylContact C-O 3.44Å; L12-F28 VanDerWaalsContact CA-O 3.29Å; L12-F28 WeakPolarHBondContact CA-O 3.37Å; V13-F28 PolarHBondContact N-O 2.99Å; V13-F28 PolarHBondContact O-N 3.28Å; A15-F28 HydrophobicContact CB-CE2 4.42Å; L26-F28 HydrophobicContact CB-CD2 4.45Å; L26-F28 HydrophobicContact CB-CE2 3.63Å; L26-F28 HydrophobicContact CB-CZ 3.98Å; L26-F28 HydrophobicContact CD2-CZ 4.06Å; F28-E34 CarbonylContact C-O 3.6Å; F28-E34 VanDerWaalsContact CA-O 3.25Å; F28-E34 WeakPolarHBondContact CA-O 3.18Å; F28-L35 HydrophobicContact CD1-CB 4.09Å; F28-L35 HydrophobicContact CD1-CD1 4.25Å; F28-L35 HydrophobicContact CE1-CB 3.88Å; F28-L35 HydrophobicContact CE1-CD1 3.87Å; F28-L35 HydrophobicContact CE1-CG 4.44Å; F28-L35 HydrophobicContact CE2-CD1 4.45Å; F28-L35 HydrophobicContact CZ-CD1 3.98Å; F28-M451 HydrophobicContact CE1-CG 4.45Å; F28-A456 HydrophobicContact CE2-CB 3.84Å; F28-A456 HydrophobicContact CZ-CB 3.84Å; F28-L457 HydrophobicContact CD1-CD1 4.13Å; F28-L457 HydrophobicContact CE1-CB 4.38Å; F28-L457 HydrophobicContact CE1-CD1 4.32Å; F28-L457 HydrophobicContact CG-CD1 4.41Å; F28-L457 HydrophobicContact CZ-CB 4.29Å; F28-A460 HydrophobicContact CD2-CB 3.77Å; F28-A460 HydrophobicContact CE2-CB 4.32Å; F28-W472 HydrophobicContact CB-CH2 4.11Å; F28-W472 HydrophobicContact CB-CZ3 4.01Å |
| 29 | S | 93.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.2 | 163.4 | 178.3 | 0 | 0 | 0 | 0 | 110 | V9 K31 T32 A33 E34 | V9-S29 PolarHBondContact O-OG 3.29Å; S29-K31 PolarHBondContact O-N 3.34Å; S29-T32 WeakPolarHBondContact CB-OG1 3.48Å; S29-A33 VanDerWaalsContact O-CA 3.29Å; S29-A33 WeakPolarHBondContact O-CA 3.31Å; S29-A33 PolarHBondContact O-N 2.9Å; S29-E34 PolarHBondContact N-O 3.4Å |
| 30 | S | 91.4 | Very high | 94 | Very high | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.7 | -178 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | P11 V471 W472 | P11-S30 WeakPolarHBondContact O-CB 3.15Å; P11-S30 PolarHBondContact O-N 3.3Å; P11-S30 PolarHBondContact O-OG 3.19Å; S30-V471 WeakPolarHBondContact CB-O 3.41Å; S30-V471 PolarHBondContact OG-O 3.38Å; S30-W472 VanDerWaalsContact CA-CE3 3.42Å |
| 31 | K | 88.1 | Confident | 94.4 | Very high | 150 Ų | 150 | 40.2 Ų | 40.2 | 65% | 0.652 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -35.6 | -179.2 | -66.9 | -172.8 | 177.1 | -178.4 | 0 | 113.1 | S29 | S29-K31 PolarHBondContact O-N 3.34Š|
| 32 | T | 87.6 | Confident | 94.7 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -12.3 | -173.5 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | S29 E34 | S29-T32 WeakPolarHBondContact CB-OG1 3.48Å; T32-E34 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact OG1-CB 3.23Å; T32-E34 WeakPolarHBondContact OG1-CB 3.45Å; T32-E34 PolarHBondContact OG1-N 3.41Å |
| 33 | A | 89.1 | Confident | 94.7 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | 58.4 | 15.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S29 L457 W472 L482 | S29-A33 VanDerWaalsContact O-CA 3.29Å; S29-A33 WeakPolarHBondContact O-CA 3.31Å; S29-A33 PolarHBondContact O-N 2.9Å; A33-L457 HydrophobicContact CB-CD1 4.02Å; A33-W472 HydrophobicContact CB-CH2 3.85Å; A33-W472 HydrophobicContact CB-CZ2 3.64Å; A33-L482 HydrophobicContact CB-CD2 3.6Å | ||
| 34 | E | 89.7 | Confident | 94.4 | Very high | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | trans | -72.5 | 134.8 | 177.6 | -175.4 | 174.1 | -163.9 | 0 | 0 | 110.6 | F28 S29 T32 | F28-E34 CarbonylContact C-O 3.6Å; F28-E34 VanDerWaalsContact CA-O 3.25Å; F28-E34 WeakPolarHBondContact CA-O 3.18Å; S29-E34 PolarHBondContact N-O 3.4Å; T32-E34 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact OG1-CB 3.23Å; T32-E34 WeakPolarHBondContact OG1-CB 3.45Å; T32-E34 PolarHBondContact OG1-N 3.41Å | ||
| 35 | L | 92.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 119.8 | 171.4 | 176.7 | 64.7 | 0 | 0 | 0 | 109.6 | L26 F28 H38 M451 | L26-L35 HydrophobicContact CB-CD1 3.76Å; L26-L35 HydrophobicContact CD2-CD1 3.88Å; L26-L35 HydrophobicContact CD2-CD2 4.18Å; L26-L35 HydrophobicContact CG-CD1 4.24Å; F28-L35 HydrophobicContact CD1-CB 4.09Å; F28-L35 HydrophobicContact CD1-CD1 4.25Å; F28-L35 HydrophobicContact CE1-CB 3.88Å; F28-L35 HydrophobicContact CE1-CD1 3.87Å; F28-L35 HydrophobicContact CE1-CG 4.44Å; F28-L35 HydrophobicContact CE2-CD1 4.45Å; F28-L35 HydrophobicContact CZ-CD1 3.98Å; L35-H38 HydrophobicContact CD1-CB 4.43Å; L35-M451 HydrophobicContact CB-SD 3.39Å; L35-M451 WeakPolarHBondContact CB-SD 3.26Å; L35-M451 HydrophobicContact CD2-CE 3.91Å; L35-M451 HydrophobicContact CD2-SD 3.64Å; L35-M451 HydrophobicContact CG-SD 4.14Å |
| 36 | L | 94.2 | Very high | 93.5 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -43.4 | -177.1 | -62.1 | 168.3 | 0 | 0 | 0 | 112.4 | V9 L12 V27 L75 | V9-L36 HydrophobicContact CG1-CD1 3.4Å; V9-L36 HydrophobicContact CG1-CD2 3.64Å; V9-L36 HydrophobicContact CG1-CG 4.15Å; L12-L36 HydrophobicContact CD1-CD1 3.99Å; L12-L36 HydrophobicContact CD2-CD1 3.27Å; L12-L36 HydrophobicContact CG-CD1 4.24Å; V27-L36 PolarHBondContact O-N 3.36Å; L36-L75 HydrophobicContact CB-CD2 4.25Å |
| 37 | S | 95.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 151.3 | -177.8 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | V27 T71 K74 | V27-S37 PolarHBondContact N-O 3.34Å; S37-T71 PolarHBondContact OG-O 3.09Å; S37-K74 WeakPolarHBondContact OG-CB 3.18Å |
| 38 | H | 96.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 59 Ų | 59 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 161.4 | 171.9 | 70.5 | 100 | 0 | 0 | 0 | 112.8 | F25 L26 L35 K74 | F25-H38 CarbonylContact O-C 3.26Å; F25-H38 WeakPolarHBondContact O-CA 3.15Å; F25-H38 WeakPolarHBondContact O-CB 3.4Å; L26-H38 HydrophobicContact CB-CB 4.32Å; L26-H38 HydrophobicContact CD2-CB 4.28Å; L26-H38 HydrophobicContact CG-CB 3.79Å; L35-H38 HydrophobicContact CD1-CB 4.43Å; H38-K74 PolarHBondContact O-NZ 3.03Å |
| 39 | H | 97.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 18% | 0.181 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.8 | 167.7 | -162.5 | 84.4 | 0 | 0 | 0 | 110.3 | R24 F25 R70 T71 | R24-H39 VanDerWaalsContact CA-O 3.26Å; R24-H39 WeakPolarHBondContact CA-O 3.4Å; F25-H39 PolarHBondContact N-O 3.19Å; F25-H39 PolarHBondContact O-N 3.48Å; H39-R70 HydrophobicContact CB-CB 4.01Å; H39-R70 VanDerWaalsContact CG-CB 3.5Å; H39-R70 WeakPolarHBondContact ND1-CB 3.25Å; H39-T71 VanDerWaalsContact CB-OG1 3.24Å; H39-T71 WeakPolarHBondContact CB-OG1 3.32Å; H39-T71 PolarHBondContact N-OG1 2.88Å; H39-T71 VanDerWaalsContact N-OG1 3.13Å |
| 40 | K | 97.4 | Very high | 91.7 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.8 | -179.6 | 179.6 | -169.5 | 173.9 | -148.1 | 0 | 108.5 | S22 T23 R24 E42 | S22-K40 VanDerWaalsContact OG-CE 3.28Å; S22-K40 WeakPolarHBondContact OG-CE 3.44Å; T23-K40 WeakPolarHBondContact O-CA 3.32Å; R24-K40 HydrophobicContact CG-CB 3.8Å; R24-K40 HydrophobicContact CG-CG 3.7Å; K40-E42 IonicContact NZ-OE1 3.87Å; K40-E42 PolarHBondContact NZ-OE1 3.28Å |
| 41 | V | 98 | Very high | 91 | Very high | 26 Ų | 26 | 75.3 Ų | 75.3 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.7 | 170 | 175.4 | 0 | 0 | 0 | 0 | 108 | S22 T23 E66 | S22-V41 CarbonylContact C-O 3.58Å; S22-V41 WeakPolarHBondContact CA-O 3.5Å; S22-V41 WeakPolarHBondContact CB-O 3.47Å; T23-V41 PolarHBondContact N-O 3.01Å; T23-V41 PolarHBondContact O-N 2.94Å; V41-E66 HydrophobicContact CG2-CB 4.23Å; V41-E66 HydrophobicContact CG2-CG 3.88Å |
| 42 | E | 95.8 | Very high | 91.2 | Very high | 140 Ų | 140 | 70.4 Ų | 70.4 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.7 | 176 | -57.6 | -162 | 149.1 | 0 | 0 | 110.4 | K40 | K40-E42 IonicContact NZ-OE1 3.87Å; K40-E42 PolarHBondContact NZ-OE1 3.28Å |
| 43 | L | 93.7 | Very high | 91.3 | Very high | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | trans | -110.3 | 145.3 | -178.9 | -69.7 | 170.8 | 0 | 0 | 0 | 110.2 | Q18 N21 E59 I60 | Q18-L43 VanDerWaalsContact NE2-CD1 3.26Å; N21-L43 PolarHBondContact O-N 3.14Å; L43-E59 HydrophobicContact CD2-CG 4.03Å; L43-I60 HydrophobicContact CD1-CG1 4.31Å; L43-I60 HydrophobicContact CD2-CG1 4.37Å | ||
| 44 | T | 91.8 | Very high | 91.7 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | trans | -76.2 | 142.9 | 170.4 | -48.1 | 0 | 0 | 0 | 0 | 109.8 | E59 | T44-E59 WeakPolarHBondContact CB-OE1 3.45Å; T44-E59 WeakPolarHBondContact CB-OE2 3.48Å; T44-E59 PolarHBondContact N-OE1 3.16Å; T44-E59 PolarHBondContact N-OE2 3.36Å; T44-E59 PolarHBondContact OG1-OE1 2.82Å | ||
| 45 | Q | 86 | Confident | 92.1 | Very high | 47 Ų | 47 | 62 Ų | 62 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | trans | -114.3 | 128.9 | 167.7 | -75.4 | 173.5 | 11.6 | 0 | 0 | 108.4 | T20 N21 F47 | T20-Q45 PolarHBondContact O-NE2 3.14Å; N21-Q45 PolarHBondContact OD1-NE2 3.05Å; Q45-F47 HydrophobicContact CB-CE2 3.63Å; Q45-F47 HydrophobicContact CB-CZ 3.68Å | ||
| 46 | E | 91.8 | Very high | 92.4 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -97.8 | 135.1 | 177.2 | -63.8 | -174.1 | -176.8 | 0 | 0 | 109.5 | P48 V53 E54 N110 | E46-P48 VanDerWaalsContact C-CD 3.5Å; E46-P48 WeakPolarHBondContact O-CD 3.36Å; E46-V53 WeakPolarHBondContact O-CA 3.39Å; E46-E54 HydrophobicContact CB-CB 4.11Å; E46-E54 PolarHBondContact N-O 2.84Å; E46-E54 PolarHBondContact O-N 3.31Å; E46-N110 PolarHBondContact OE2-ND2 2.96Å |
| 47 | F | 90.1 | Very high | 92.6 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.553 | 30% | 0.303 | S | S | * | . | trans | -123.3 | 73.9 | 177.9 | -56.5 | -84.8 | 0 | 0 | 0 | 109.6 | Q45 K49 W52 V53 | Q45-F47 HydrophobicContact CB-CE2 3.63Å; Q45-F47 HydrophobicContact CB-CZ 3.68Å; F47-K49 PolarHBondContact O-N 3.28Å; F47-W52 WeakPolarHBondContact CA-O 3.27Å; F47-W52 WeakPolarHBondContact CD1-O 3.1Å; F47-V53 HydrophobicContact CD1-CG1 4.47Å; F47-V53 HydrophobicContact CD1-CG2 3.88Å; F47-V53 HydrophobicContact CE1-CB 4.38Å; F47-V53 HydrophobicContact CE1-CG1 3.96Å; F47-V53 HydrophobicContact CE1-CG2 3.73Å | ||
| 48 | P | 92.2 | Very high | 92.7 | Very high | 69 Ų | 69 | 65.2 Ų | 65.2 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -62.5 | -29.3 | -173.2 | -22.9 | 33.8 | 0 | 0 | 0 | 113.5 | E46 E54 | E46-P48 VanDerWaalsContact C-CD 3.5Å; E46-P48 WeakPolarHBondContact O-CD 3.36Å; P48-E54 HydrophobicContact CG-CG 4.28Å |
| 49 | K | 87.2 | Confident | 92.8 | Very high | 130 Ų | 130 | 63 Ų | 63 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -147.9 | 164.8 | 179.4 | -64.8 | -178.6 | -176.8 | 172.3 | 0 | 109.9 | F47 G51 W52 | F47-K49 PolarHBondContact O-N 3.28Å; K49-G51 PolarHBondContact O-N 3.34Å; K49-W52 HydrophobicContact CB-CB 4.26Å; K49-W52 HydrophobicContact CB-CD2 4.08Å; K49-W52 HydrophobicContact CB-CG 3.84Å; K49-W52 HydrophobicContact CD-CD2 4.29Å; K49-W52 HydrophobicContact CD-CH2 4.35Å; K49-W52 HydrophobicContact CD-CZ2 4.07Å; K49-W52 HydrophobicContact CG-CD2 4.48Å; K49-W52 WeakPolarHBondContact O-CB 3.39Å; K49-W52 PolarHBondContact O-N 3.43Å |
| 50 | E | 77.6 | Confident | 92.8 | Very high | 196 Ų | 196 | 61.2 Ų | 61.2 | 92% | 0.916 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131 | 172.6 | -174.2 | 176.5 | -174.2 | 0 | 0 | 111.2 | W52 | E50-W52 PolarHBondContact O-N 3.39Š|
| 51 | G | 77.4 | Confident | 92.8 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K49 L117 | K49-G51 PolarHBondContact O-N 3.34Å; G51-L117 PolarHBondContact O-N 2.94Å |
| 52 | W | 91.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | trans | -95.6 | 134.1 | 178.1 | -68.8 | 36.7 | 0 | 0 | 0 | 110 | F47 K49 E50 D116 R118 W156 | F47-W52 WeakPolarHBondContact CA-O 3.27Å; F47-W52 WeakPolarHBondContact CD1-O 3.1Å; K49-W52 HydrophobicContact CB-CB 4.26Å; K49-W52 HydrophobicContact CB-CD2 4.08Å; K49-W52 HydrophobicContact CB-CG 3.84Å; K49-W52 HydrophobicContact CD-CD2 4.29Å; K49-W52 HydrophobicContact CD-CH2 4.35Å; K49-W52 HydrophobicContact CD-CZ2 4.07Å; K49-W52 HydrophobicContact CG-CD2 4.48Å; K49-W52 WeakPolarHBondContact O-CB 3.39Å; K49-W52 PolarHBondContact O-N 3.43Å; E50-W52 PolarHBondContact O-N 3.39Å; W52-D116 VanDerWaalsContact CA-OD2 3.24Å; W52-D116 WeakPolarHBondContact CA-OD2 3.38Å; W52-R118 HydrophobicContact CD2-CB 3.98Å; W52-R118 VanDerWaalsContact CE3-NH1 3.33Å; W52-R118 HydrophobicContact CG-CB 4.11Å; W52-R118 HydrophobicContact CZ2-CB 4Å; W52-R118 VanDerWaalsContact NE1-CB 3.33Å; W52-W156 AromaticContact CH2-CH2 3.72Å; W52-W156 HydrophobicContact CH2-CH2 3.72Å; W52-W156 AromaticContact CH2-CZ2 3.37Å; W52-W156 HydrophobicContact CH2-CZ2 3.37Å; W52-W156 AromaticContact CZ2-CZ2 3.98Å; W52-W156 HydrophobicContact CZ2-CZ2 3.98Å; W52-W156 AromaticContact CZ3-CH2 3.85Å; W52-W156 HydrophobicContact CZ3-CH2 3.85Å; W52-W156 AromaticContact CZ3-CZ2 3.99Å; W52-W156 HydrophobicContact CZ3-CZ2 3.99Å | ||
| 53 | V | 91.1 | Very high | 93 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | -136.7 | 118.8 | 178.9 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | E46 F47 V113 L115 D116 | E46-V53 WeakPolarHBondContact O-CA 3.39Å; F47-V53 HydrophobicContact CD1-CG1 4.47Å; F47-V53 HydrophobicContact CD1-CG2 3.88Å; F47-V53 HydrophobicContact CE1-CB 4.38Å; F47-V53 HydrophobicContact CE1-CG1 3.96Å; F47-V53 HydrophobicContact CE1-CG2 3.73Å; V53-V113 HydrophobicContact CB-CB 4.1Å; V53-V113 HydrophobicContact CB-CG2 4.48Å; V53-V113 HydrophobicContact CG1-CB 3.85Å; V53-V113 HydrophobicContact CG1-CG1 4.21Å; V53-V113 HydrophobicContact CG1-CG2 3.91Å; V53-V113 WeakPolarHBondContact O-CB 3.47Å; V53-V113 WeakPolarHBondContact O-CG2 3.42Å; V53-V113 PolarHBondContact O-N 2.95Å; V53-L115 HydrophobicContact CB-CD1 4.11Å; V53-L115 HydrophobicContact CB-CG 4.34Å; V53-L115 HydrophobicContact CG1-CD1 3.99Å; V53-L115 HydrophobicContact CG1-CG 4.27Å; V53-L115 HydrophobicContact CG2-CD1 3.57Å; V53-L115 HydrophobicContact CG2-CG 4.23Å; V53-D116 HydrophobicContact CB-CB 4.44Å; V53-D116 PolarHBondContact N-OD2 3.06Å | ||
| 54 | E | 97.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.028 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157 | -176.6 | -66.5 | -174.4 | -176 | 0 | 0 | 111.5 | E46 P48 Y109 N110 A111 R118 | E46-E54 HydrophobicContact CB-CB 4.11Å; E46-E54 PolarHBondContact N-O 2.84Å; E46-E54 PolarHBondContact O-N 3.31Å; P48-E54 HydrophobicContact CG-CG 4.28Å; E54-Y109 WeakPolarHBondContact OE1-CE1 3.44Å; E54-Y109 PolarHBondContact OE1-OH 2.8Å; E54-N110 HydrophobicContact CB-CB 3.98Å; E54-N110 HydrophobicContact CG-CB 4.29Å; E54-N110 WeakPolarHBondContact OE2-CB 3.44Å; E54-N110 PolarHBondContact OE2-ND2 3Å; E54-A111 VanDerWaalsContact CA-O 3.27Å; E54-A111 WeakPolarHBondContact CA-O 3.34Å; E54-R118 IonicContact OE1-CZ 3.79Å; E54-R118 IonicContact OE1-NH1 2.73Å; E54-R118 PolarHBondContact OE1-NH1 3.1Å; E54-R118 IonicContact OE1-NH2 2.65Å; E54-R118 PolarHBondContact OE1-NH2 3.34Å |
| 55 | Q | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.9 | 169.9 | -66.2 | -176.1 | -65.7 | 0 | 0 | 109.9 | T20 P57 I60 A111 V113 | T20-Q55 PolarHBondContact O-NE2 3.26Å; Q55-P57 VanDerWaalsContact O-CD 3.25Å; Q55-P57 WeakPolarHBondContact O-CD 3.35Å; Q55-I60 HydrophobicContact CB-CD1 3.88Å; Q55-I60 HydrophobicContact CB-CG1 4.47Å; Q55-A111 HydrophobicContact CB-CB 4.41Å; Q55-A111 PolarHBondContact N-O 3.41Å; Q55-A111 VanDerWaalsContact N-O 3.08Å; Q55-A111 WeakPolarHBondContact O-CB 3.32Å; Q55-A111 PolarHBondContact O-N 3.32Å; Q55-V113 HydrophobicContact CB-CG2 4.37Å; Q55-V113 HydrophobicContact CG-CG2 3.68Å |
| 56 | D | 98.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | trans | -71.6 | 117 | 172.4 | -179.7 | -3.2 | 0 | 0 | 0 | 109.8 | K58 E59 I60 | D56-K58 PolarHBondContact O-N 2.9Å; D56-K58 VanDerWaalsContact O-N 3.16Å; D56-K58 WeakPolarHBondContact OD1-CB 3.35Å; D56-K58 PolarHBondContact OD1-N 3.41Å; D56-E59 HydrophobicContact CB-CB 3.94Å; D56-E59 PolarHBondContact O-N 3.44Å; D56-I60 WeakPolarHBondContact O-CG1 3.45Å; D56-I60 PolarHBondContact O-N 2.86Å; D56-I60 VanDerWaalsContact O-N 3.09Å | ||
| 57 | P | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -24.4 | 177.6 | -22.5 | 35.5 | 0 | 0 | 0 | 113.5 | Q55 L61 V98 P107 A111 W181 | Q55-P57 VanDerWaalsContact O-CD 3.25Å; Q55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-L61 PolarHBondContact O-N 3.25Å; P57-L61 VanDerWaalsContact O-N 3.09Å; P57-V98 HydrophobicContact CB-CG1 3.97Å; P57-V98 HydrophobicContact CG-CG1 3.93Å; P57-P107 HydrophobicContact CB-CB 4.05Å; P57-P107 HydrophobicContact CB-CG 3.76Å; P57-P107 HydrophobicContact CG-CB 3.83Å; P57-P107 HydrophobicContact CG-CG 4.09Å; P57-A111 HydrophobicContact CG-CB 4.14Å; P57-W181 HydrophobicContact CB-CZ2 4.27Å; P57-W181 PolarHBondContact O-NE1 3.16Å |
| 58 | K | 98.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.2 | -42.1 | 175.3 | -62.7 | -173.6 | 178.5 | -174 | 0 | 112.1 | D56 I60 L61 Q62 E106 P107 | D56-K58 PolarHBondContact O-N 2.9Å; D56-K58 VanDerWaalsContact O-N 3.16Å; D56-K58 WeakPolarHBondContact OD1-CB 3.35Å; D56-K58 PolarHBondContact OD1-N 3.41Å; K58-I60 VanDerWaalsContact C-N 3.28Å; K58-I60 PolarHBondContact O-N 3.25Å; K58-L61 PolarHBondContact O-N 3.36Å; K58-Q62 WeakPolarHBondContact O-CB 3.3Å; K58-Q62 PolarHBondContact O-N 2.78Å; K58-E106 WeakPolarHBondContact CE-OE2 3.31Å; K58-E106 IonicContact NZ-OE1 3.29Å; K58-E106 PolarHBondContact NZ-OE1 2.93Å; K58-E106 IonicContact NZ-OE2 3.41Å; K58-E106 PolarHBondContact NZ-OE2 2.92Å; K58-P107 HydrophobicContact CG-CG 4.04Å |
| 59 | E | 98.5 | Very high | 95.2 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 172.8 | -174.3 | -170.4 | -171.9 | 0 | 0 | 110.1 | L43 T44 D56 L61 Q62 S63 | L43-E59 HydrophobicContact CD2-CG 4.03Å; T44-E59 WeakPolarHBondContact CB-OE1 3.45Å; T44-E59 WeakPolarHBondContact CB-OE2 3.48Å; T44-E59 PolarHBondContact N-OE1 3.16Å; T44-E59 PolarHBondContact N-OE2 3.36Å; T44-E59 PolarHBondContact OG1-OE1 2.82Å; D56-E59 HydrophobicContact CB-CB 3.94Å; D56-E59 PolarHBondContact O-N 3.44Å; E59-L61 PolarHBondContact O-N 3.22Å; E59-Q62 PolarHBondContact O-N 3.39Å; E59-S63 WeakPolarHBondContact O-CB 3.33Å; E59-S63 PolarHBondContact O-N 2.8Å; E59-S63 PolarHBondContact O-OG 3.46Å |
| 60 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.9 | -52.1 | 174 | -68.3 | 173.5 | 0 | 0 | 0 | 110.5 | Q18 L43 Q55 D56 K58 S63 V64 I178 L182 | Q18-I60 HydrophobicContact CG-CG2 3.57Å; L43-I60 HydrophobicContact CD1-CG1 4.31Å; L43-I60 HydrophobicContact CD2-CG1 4.37Å; Q55-I60 HydrophobicContact CB-CD1 3.88Å; Q55-I60 HydrophobicContact CB-CG1 4.47Å; D56-I60 WeakPolarHBondContact O-CG1 3.45Å; D56-I60 PolarHBondContact O-N 2.86Å; D56-I60 VanDerWaalsContact O-N 3.09Å; K58-I60 VanDerWaalsContact C-N 3.28Å; K58-I60 PolarHBondContact O-N 3.25Å; I60-S63 PolarHBondContact O-N 3.43Å; I60-S63 PolarHBondContact O-OG 3.09Å; I60-V64 PolarHBondContact O-N 3.17Å; I60-I178 HydrophobicContact CD1-CD1 3.9Å; I60-I178 HydrophobicContact CG2-CG2 4.47Å; I60-L182 HydrophobicContact CG2-CD2 4.27Å |
| 61 | L | 98.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | -178.4 | -179.7 | 61.9 | 0 | 0 | 0 | 112.5 | P57 K58 E59 S63 V64 Y65 W181 L182 | P57-L61 PolarHBondContact O-N 3.25Å; P57-L61 VanDerWaalsContact O-N 3.09Å; K58-L61 PolarHBondContact O-N 3.36Å; E59-L61 PolarHBondContact O-N 3.22Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.21Å; L61-V64 WeakPolarHBondContact O-CB 3.33Å; L61-V64 PolarHBondContact O-N 2.96Å; L61-V64 VanDerWaalsContact O-N 3.16Å; L61-Y65 HydrophobicContact CD1-CD2 4.25Å; L61-Y65 HydrophobicContact CD1-CE2 3.65Å; L61-Y65 HydrophobicContact CD2-CE2 4.02Å; L61-Y65 HydrophobicContact CG-CD2 4.04Å; L61-Y65 HydrophobicContact CG-CE2 3.56Å; L61-Y65 WeakPolarHBondContact O-CD2 3.4Å; L61-Y65 PolarHBondContact O-N 3.5Å; L61-Y65 VanDerWaalsContact O-N 3.16Å; L61-W181 HydrophobicContact CD2-CZ2 4.17Å; L61-L182 HydrophobicContact CD1-CD2 4.16Å |
| 62 | Q | 98.4 | Very high | 97.7 | Very high | 133 Ų | 133 | 35 Ų | 35 | 62% | 0.621 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -61.6 | -41.8 | 178.3 | -176.8 | 174 | -1.4 | 0 | 0 | 111.4 | K58 E59 V64 Y65 E66 | K58-Q62 WeakPolarHBondContact O-CB 3.3Å; K58-Q62 PolarHBondContact O-N 2.78Å; E59-Q62 PolarHBondContact O-N 3.39Å; Q62-V64 PolarHBondContact O-N 3.03Å; Q62-Y65 PolarHBondContact O-N 2.87Å; Q62-E66 PolarHBondContact O-N 3.16Å |
| 63 | S | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -32.5 | 176.8 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | T23 E59 I60 L61 C67 | T23-S63 WeakPolarHBondContact CB-OG 3.45Å; T23-S63 PolarHBondContact OG1-OG 3.09Å; E59-S63 WeakPolarHBondContact O-CB 3.33Å; E59-S63 PolarHBondContact O-N 2.8Å; E59-S63 PolarHBondContact O-OG 3.46Å; I60-S63 PolarHBondContact O-N 3.43Å; I60-S63 PolarHBondContact O-OG 3.09Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.21Å; S63-C67 WeakPolarHBondContact O-CB 3.33Å; S63-C67 PolarHBondContact O-N 2.83Å; S63-C67 PolarHBondContact O-SG 2.87Å |
| 64 | V | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.8 | -48.5 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | V16 T23 I60 L61 Q62 E66 C67 I68 L182 L186 | V16-V64 HydrophobicContact CG1-CG1 3.95Å; V16-V64 HydrophobicContact CG1-CG2 3.86Å; V16-V64 HydrophobicContact CG2-CG1 4.04Å; T23-V64 HydrophobicContact CG2-CB 4.25Å; T23-V64 HydrophobicContact CG2-CG2 3.53Å; I60-V64 PolarHBondContact O-N 3.17Å; L61-V64 WeakPolarHBondContact O-CB 3.33Å; L61-V64 PolarHBondContact O-N 2.96Å; L61-V64 VanDerWaalsContact O-N 3.16Å; Q62-V64 PolarHBondContact O-N 3.03Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 2.97Å; V64-C67 PolarHBondContact O-N 2.85Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3Å; V64-L182 HydrophobicContact CG2-CD1 4.17Å; V64-L182 HydrophobicContact CG2-CD2 3.78Å; V64-L186 HydrophobicContact CG1-CD1 4.41Å; V64-L186 HydrophobicContact CG1-CD2 4.42Å |
| 65 | Y | 98.5 | Very high | 98.2 | Very high | 79 Ų | 79 | 39.9 Ų | 39.9 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 177.2 | -73.4 | -56.5 | 0 | 0 | 0 | 112.1 | L61 Q62 I68 A69 L186 | L61-Y65 HydrophobicContact CD1-CD2 4.25Å; L61-Y65 HydrophobicContact CD1-CE2 3.65Å; L61-Y65 HydrophobicContact CD2-CE2 4.02Å; L61-Y65 HydrophobicContact CG-CD2 4.04Å; L61-Y65 HydrophobicContact CG-CE2 3.56Å; L61-Y65 WeakPolarHBondContact O-CD2 3.4Å; L61-Y65 PolarHBondContact O-N 3.5Å; L61-Y65 VanDerWaalsContact O-N 3.16Å; Q62-Y65 PolarHBondContact O-N 2.87Å; Y65-I68 PolarHBondContact O-N 2.81Å; Y65-A69 WeakPolarHBondContact O-CB 3.41Å; Y65-A69 PolarHBondContact O-N 2.91Å; Y65-L186 HydrophobicContact CD1-CD2 4.17Å; Y65-L186 HydrophobicContact CE1-CD2 3.5Å |
| 66 | E | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 44 Ų | 44 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.2 | 179.8 | 169.9 | -173.1 | 0 | 0 | 111.6 | V41 Q62 V64 I68 A69 R70 | V41-E66 HydrophobicContact CG2-CB 4.23Å; V41-E66 HydrophobicContact CG2-CG 3.88Å; Q62-E66 PolarHBondContact O-N 3.16Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-E66 PolarHBondContact O-N 2.97Å; E66-I68 VanDerWaalsContact C-N 3.3Å; E66-I68 PolarHBondContact O-N 3.36Å; E66-A69 PolarHBondContact O-N 3.14Å; E66-R70 HydrophobicContact CG-CG 3.96Å; E66-R70 WeakPolarHBondContact O-CB 3.42Å; E66-R70 VanDerWaalsContact O-CG 3.27Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-N 3.28Å |
| 67 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 178 | -75.4 | 0 | 0 | 0 | 0 | 112.1 | T23 F25 S63 V64 T71 | T23-C67 HydrophobicContact CG2-CB 4.49Å; T23-C67 PolarHBondContact O-SG 2.74Å; T23-C67 VanDerWaalsContact O-SG 3.35Å; F25-C67 HydrophobicContact CB-CB 3.64Å; S63-C67 WeakPolarHBondContact O-CB 3.33Å; S63-C67 PolarHBondContact O-N 2.83Å; S63-C67 PolarHBondContact O-SG 2.87Å; V64-C67 PolarHBondContact O-N 2.85Å; C67-T71 VanDerWaalsContact O-CB 3.27Å; C67-T71 WeakPolarHBondContact O-CB 3.36Å; C67-T71 PolarHBondContact O-N 2.97Å; C67-T71 VanDerWaalsContact O-N 3.09Å; C67-T71 PolarHBondContact O-OG1 3.05Å |
| 68 | I | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -53.6 | 177 | -70.3 | 169 | 0 | 0 | 0 | 110.1 | V16 F25 V64 Y65 E66 R70 T71 C72 L248 | V16-I68 HydrophobicContact CG2-CD1 4.22Å; V16-I68 HydrophobicContact CG2-CG1 4.48Å; F25-I68 HydrophobicContact CB-CG1 4.29Å; F25-I68 HydrophobicContact CD1-CB 4.4Å; F25-I68 HydrophobicContact CD1-CG1 4.08Å; F25-I68 HydrophobicContact CD2-CG1 3.85Å; F25-I68 HydrophobicContact CE1-CG1 4.36Å; F25-I68 HydrophobicContact CE2-CG1 4.15Å; F25-I68 HydrophobicContact CG-CG1 3.81Å; F25-I68 HydrophobicContact CZ-CG1 4.39Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3Å; Y65-I68 PolarHBondContact O-N 2.81Å; E66-I68 VanDerWaalsContact C-N 3.3Å; E66-I68 PolarHBondContact O-N 3.36Å; I68-R70 PolarHBondContact O-N 3.3Å; I68-T71 PolarHBondContact O-N 3.49Å; I68-C72 WeakPolarHBondContact O-CB 3.07Å; I68-C72 PolarHBondContact O-N 2.67Å; I68-C72 PolarHBondContact O-SG 3.05Å; I68-L248 HydrophobicContact CG2-CD1 3.56Å; I68-L248 HydrophobicContact CG2-CG 3.76Å |
| 69 | A | 98.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -51.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y65 E66 T71 C72 E73 | Y65-A69 WeakPolarHBondContact O-CB 3.41Å; Y65-A69 PolarHBondContact O-N 2.91Å; E66-A69 PolarHBondContact O-N 3.14Å; A69-T71 VanDerWaalsContact C-N 3.33Å; A69-T71 PolarHBondContact O-N 3.46Å; A69-C72 WeakPolarHBondContact O-CB 3.38Å; A69-C72 PolarHBondContact O-N 2.83Å; A69-E73 WeakPolarHBondContact O-CG 2.92Å; A69-E73 PolarHBondContact O-N 3.04Å |
| 70 | R | 98.4 | Very high | 97.3 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | -178.7 | -65.6 | -55.7 | -166.9 | -176.5 | -0.7 | 113.6 | H39 E66 I68 E73 K74 | H39-R70 HydrophobicContact CB-CB 4.01Å; H39-R70 VanDerWaalsContact CG-CB 3.5Å; H39-R70 WeakPolarHBondContact ND1-CB 3.25Å; E66-R70 HydrophobicContact CG-CG 3.96Å; E66-R70 WeakPolarHBondContact O-CB 3.42Å; E66-R70 VanDerWaalsContact O-CG 3.27Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-N 3.28Å; I68-R70 PolarHBondContact O-N 3.3Å; R70-E73 WeakPolarHBondContact CD-OE2 3.06Å; R70-E73 IonicContact CZ-OE2 3.8Å; R70-E73 IonicContact NE-OE2 3.35Å; R70-E73 IonicContact NH1-OE1 3.75Å; R70-E73 IonicContact NH1-OE2 2.99Å; R70-E73 PolarHBondContact NH1-OE2 3.13Å; R70-K74 VanDerWaalsContact O-CG 3.32Å; R70-K74 WeakPolarHBondContact O-CG 3.32Å; R70-K74 PolarHBondContact O-N 3.01Å |
| 71 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.3 | -38.3 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | F25 V27 S37 H39 C67 I68 A69 K74 L75 | F25-T71 HydrophobicContact CD1-CG2 3.79Å; F25-T71 HydrophobicContact CE1-CG2 4.2Å; F25-T71 PolarHBondContact O-OG1 2.69Å; V27-T71 HydrophobicContact CG2-CG2 3.86Å; S37-T71 PolarHBondContact OG-O 3.09Å; H39-T71 VanDerWaalsContact CB-OG1 3.24Å; H39-T71 WeakPolarHBondContact CB-OG1 3.32Å; H39-T71 PolarHBondContact N-OG1 2.88Å; H39-T71 VanDerWaalsContact N-OG1 3.13Å; C67-T71 VanDerWaalsContact O-CB 3.27Å; C67-T71 WeakPolarHBondContact O-CB 3.36Å; C67-T71 PolarHBondContact O-N 2.97Å; C67-T71 VanDerWaalsContact O-N 3.09Å; C67-T71 PolarHBondContact O-OG1 3.05Å; I68-T71 PolarHBondContact O-N 3.49Å; A69-T71 VanDerWaalsContact C-N 3.33Å; A69-T71 PolarHBondContact O-N 3.46Å; T71-K74 PolarHBondContact O-N 3.34Å; T71-L75 WeakPolarHBondContact O-CG 3.49Å; T71-L75 PolarHBondContact O-N 3.49Å |
| 72 | C | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 175 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | I68 A69 K74 L75 D76 I82 A247 | I68-C72 WeakPolarHBondContact O-CB 3.07Å; I68-C72 PolarHBondContact O-N 2.67Å; I68-C72 PolarHBondContact O-SG 3.05Å; A69-C72 WeakPolarHBondContact O-CB 3.38Å; A69-C72 PolarHBondContact O-N 2.83Å; C72-K74 VanDerWaalsContact C-N 3.31Å; C72-K74 PolarHBondContact O-N 3.16Å; C72-L75 WeakPolarHBondContact O-CB 3.39Å; C72-L75 PolarHBondContact O-N 2.99Å; C72-D76 PolarHBondContact O-N 3.37Å; C72-I82 HydrophobicContact CB-CD1 3.68Å; C72-I82 HydrophobicContact CB-CG1 4.16Å; C72-A247 HydrophobicContact CB-CB 3.87Å |
| 73 | E | 97.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.2 | -47.1 | 172.4 | -73.1 | 170.3 | -174.3 | 0 | 0 | 111.6 | A69 R70 L75 D76 E77 | A69-E73 WeakPolarHBondContact O-CG 2.92Å; A69-E73 PolarHBondContact O-N 3.04Å; R70-E73 WeakPolarHBondContact CD-OE2 3.06Å; R70-E73 IonicContact CZ-OE2 3.8Å; R70-E73 IonicContact NE-OE2 3.35Å; R70-E73 IonicContact NH1-OE1 3.75Å; R70-E73 IonicContact NH1-OE2 2.99Å; R70-E73 PolarHBondContact NH1-OE2 3.13Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.15Å; E73-D76 PolarHBondContact O-N 3.02Å; E73-E77 WeakPolarHBondContact O-CG 3.44Å; E73-E77 PolarHBondContact O-N 3.06Å |
| 74 | K | 97.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 176.3 | -72.2 | 174.9 | -177.4 | -173 | 0 | 113.3 | S37 H38 R70 T71 C72 E77 M78 | S37-K74 WeakPolarHBondContact OG-CB 3.18Å; H38-K74 PolarHBondContact O-NZ 3.03Å; R70-K74 VanDerWaalsContact O-CG 3.32Å; R70-K74 WeakPolarHBondContact O-CG 3.32Å; R70-K74 PolarHBondContact O-N 3.01Å; T71-K74 PolarHBondContact O-N 3.34Å; C72-K74 VanDerWaalsContact C-N 3.31Å; C72-K74 PolarHBondContact O-N 3.16Å; K74-E77 PolarHBondContact O-N 2.93Å; K74-M78 VanDerWaalsContact O-CG 3.24Å; K74-M78 WeakPolarHBondContact O-CG 3.24Å; K74-M78 PolarHBondContact O-N 2.68Å; K74-M78 VanDerWaalsContact O-N 3.11Å |
| 75 | L | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -42 | 176.6 | -74 | 170.8 | 0 | 0 | 0 | 111.1 | V27 L36 T71 C72 E73 E77 M78 N79 V80 I85 | V27-L75 HydrophobicContact CB-CD1 4.13Å; V27-L75 HydrophobicContact CG1-CD1 4.03Å; V27-L75 HydrophobicContact CG2-CD1 3.95Å; L36-L75 HydrophobicContact CB-CD2 4.25Å; T71-L75 WeakPolarHBondContact O-CG 3.49Å; T71-L75 PolarHBondContact O-N 3.49Å; C72-L75 WeakPolarHBondContact O-CB 3.39Å; C72-L75 PolarHBondContact O-N 2.99Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.15Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.79Å; L75-M78 CarbonylContact O-C 3.58Å; L75-M78 WeakPolarHBondContact O-CA 3.33Å; L75-M78 WeakPolarHBondContact O-CB 3.45Å; L75-M78 PolarHBondContact O-N 3.23Å; L75-M78 VanDerWaalsContact O-N 3.09Å; L75-N79 PolarHBondContact O-N 3.09Å; L75-V80 CarbonylContact C-O 3.47Å; L75-V80 HydrophobicContact CB-CB 4.28Å; L75-V80 HydrophobicContact CD2-CB 4.06Å; L75-V80 HydrophobicContact CD2-CG1 4.03Å; L75-V80 PolarHBondContact O-N 3.19Å; L75-I85 HydrophobicContact CD1-CD1 3.96Å |
| 76 | D | 94.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 174.7 | -73 | -23 | 0 | 0 | 0 | 111.4 | C72 E73 M78 N79 I82 | C72-D76 PolarHBondContact O-N 3.37Å; E73-D76 PolarHBondContact O-N 3.02Å; D76-M78 PolarHBondContact O-N 2.94Å; D76-N79 WeakPolarHBondContact O-CA 3.46Å; D76-N79 PolarHBondContact O-N 3.33Å; D76-I82 VanDerWaalsContact CG-CD1 3.41Å; D76-I82 WeakPolarHBondContact OD1-CD1 3.42Å; D76-I82 WeakPolarHBondContact OD1-CG1 3.4Å; D76-I82 WeakPolarHBondContact OD2-CD1 3.21Å |
| 77 | E | 95.9 | Very high | 96.6 | Very high | 154 Ų | 154 | 54.5 Ų | 54.5 | 72% | 0.72 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.4 | -32.2 | 173.6 | -71.7 | 174 | -178.9 | 0 | 0 | 112.7 | E73 K74 L75 N79 | E73-E77 WeakPolarHBondContact O-CG 3.44Å; E73-E77 PolarHBondContact O-N 3.06Å; K74-E77 PolarHBondContact O-N 2.93Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.79Å; E77-N79 PolarHBondContact O-N 3.42Å |
| 78 | M | 94.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 2.6 | 174.6 | -67.2 | 172.2 | 66.1 | 0 | 0 | 113.4 | K74 L75 D76 V80 | K74-M78 VanDerWaalsContact O-CG 3.24Å; K74-M78 WeakPolarHBondContact O-CG 3.24Å; K74-M78 PolarHBondContact O-N 2.68Å; K74-M78 VanDerWaalsContact O-N 3.11Å; L75-M78 CarbonylContact O-C 3.58Å; L75-M78 WeakPolarHBondContact O-CA 3.33Å; L75-M78 WeakPolarHBondContact O-CB 3.45Å; L75-M78 PolarHBondContact O-N 3.23Å; L75-M78 VanDerWaalsContact O-N 3.09Å; D76-M78 PolarHBondContact O-N 2.94Å; M78-V80 HydrophobicContact CB-CG2 4.06Å; M78-V80 PolarHBondContact O-N 3.11Å |
| 79 | N | 93.7 | Very high | 96.6 | Very high | 129 Ų | 129 | 54 Ų | 54 | 69% | 0.69 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34.2 | -172.5 | -55.6 | -82.1 | 0 | 0 | 0 | 113.2 | L75 D76 E77 | L75-N79 PolarHBondContact O-N 3.09Å; D76-N79 WeakPolarHBondContact O-CA 3.46Å; D76-N79 PolarHBondContact O-N 3.33Å; E77-N79 PolarHBondContact O-N 3.42Å |
| 80 | V | 94.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | trans | -101.3 | 112.2 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | V9 L12 L75 M78 I82 | V9-V80 HydrophobicContact CG2-CG2 4.37Å; L12-V80 HydrophobicContact CD1-CG1 3.61Å; L75-V80 CarbonylContact C-O 3.47Å; L75-V80 HydrophobicContact CB-CB 4.28Å; L75-V80 HydrophobicContact CD2-CB 4.06Å; L75-V80 HydrophobicContact CD2-CG1 4.03Å; L75-V80 PolarHBondContact O-N 3.19Å; M78-V80 HydrophobicContact CB-CG2 4.06Å; M78-V80 PolarHBondContact O-N 3.11Å; V80-I82 PolarHBondContact O-N 2.88Å | ||
| 81 | D | 93.6 | Very high | 96.7 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | trans | -63.5 | 116.6 | -179.4 | 174.1 | 11.3 | 0 | 0 | 0 | 111.7 | S83 N84 | D81-S83 PolarHBondContact O-N 3.19Å; D81-S83 WeakPolarHBondContact OD1-CB 3.2Å; D81-S83 PolarHBondContact OD1-N 3.08Å; D81-S83 PolarHBondContact OD1-OG 3.03Å; D81-S83 VanDerWaalsContact OD1-OG 3.08Å; D81-S83 PolarHBondContact OD2-OG 2.99Å; D81-N84 VanDerWaalsContact O-CB 3.3Å; D81-N84 WeakPolarHBondContact O-CB 3.46Å; D81-N84 PolarHBondContact O-N 3.03Å; D81-N84 PolarHBondContact O-ND2 3.01Å; D81-N84 VanDerWaalsContact O-ND2 3.07Å | ||
| 82 | I | 94.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 46.7 Ų | 46.7 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55.9 | -29.3 | 178.2 | -63.6 | 162.9 | 0 | 0 | 0 | 111.8 | C72 D76 V80 N84 I85 L248 | C72-I82 HydrophobicContact CB-CD1 3.68Å; C72-I82 HydrophobicContact CB-CG1 4.16Å; D76-I82 VanDerWaalsContact CG-CD1 3.41Å; D76-I82 WeakPolarHBondContact OD1-CD1 3.42Å; D76-I82 WeakPolarHBondContact OD1-CG1 3.4Å; D76-I82 WeakPolarHBondContact OD2-CD1 3.21Å; V80-I82 PolarHBondContact O-N 2.88Å; I82-N84 PolarHBondContact O-N 3.37Å; I82-I85 HydrophobicContact CG2-CD1 4.26Å; I82-I85 WeakPolarHBondContact O-CB 3.3Å; I82-I85 PolarHBondContact O-N 2.86Å; I82-L248 HydrophobicContact CG2-CD2 3.71Å |
| 83 | S | 94.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 49% | 0.49 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -60.4 | -15.9 | 177.5 | 89.1 | 0 | 0 | 0 | 0 | 112.9 | D81 I85 K86 | D81-S83 PolarHBondContact O-N 3.19Å; D81-S83 WeakPolarHBondContact OD1-CB 3.2Å; D81-S83 PolarHBondContact OD1-N 3.08Å; D81-S83 PolarHBondContact OD1-OG 3.03Å; D81-S83 VanDerWaalsContact OD1-OG 3.08Å; D81-S83 PolarHBondContact OD2-OG 2.99Å; S83-I85 VanDerWaalsContact C-N 3.28Å; S83-I85 PolarHBondContact O-N 2.73Å; S83-K86 PolarHBondContact O-NZ 3.5Å |
| 84 | N | 95.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -74.2 | -14.1 | 172.9 | -67.2 | -53.7 | 0 | 0 | 0 | 113.8 | L12 D81 I82 K86 | L12-N84 HydrophobicContact CD1-CB 4.12Å; L12-N84 HydrophobicContact CG-CB 3.89Å; L12-N84 PolarHBondContact N-O 2.88Å; D81-N84 VanDerWaalsContact O-CB 3.3Å; D81-N84 WeakPolarHBondContact O-CB 3.46Å; D81-N84 PolarHBondContact O-N 3.03Å; D81-N84 PolarHBondContact O-ND2 3.01Å; D81-N84 VanDerWaalsContact O-ND2 3.07Å; I82-N84 PolarHBondContact O-N 3.37Å; N84-K86 WeakPolarHBondContact O-CG 3.39Å; N84-K86 PolarHBondContact O-N 2.84Å; N84-K86 VanDerWaalsContact O-N 3.11Å |
| 85 | I | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 104.9 | 171.7 | -59.9 | 175.2 | 0 | 0 | 0 | 108.4 | L12 V27 L75 I82 S83 L248 V251 | L12-I85 HydrophobicContact CB-CG1 3.92Å; L12-I85 HydrophobicContact CD1-CG1 4.34Å; L12-I85 CarbonylContact O-C 3.6Å; L12-I85 WeakPolarHBondContact O-CA 3.41Å; V27-I85 HydrophobicContact CG1-CD1 4.15Å; V27-I85 HydrophobicContact CG1-CG1 4.12Å; V27-I85 HydrophobicContact CG2-CD1 3.91Å; L75-I85 HydrophobicContact CD1-CD1 3.96Å; I82-I85 HydrophobicContact CG2-CD1 4.26Å; I82-I85 WeakPolarHBondContact O-CB 3.3Å; I82-I85 PolarHBondContact O-N 2.86Å; S83-I85 VanDerWaalsContact C-N 3.28Å; S83-I85 PolarHBondContact O-N 2.73Å; I85-L248 HydrophobicContact CB-CD2 4.3Å; I85-L248 HydrophobicContact CD1-CD2 3.77Å; I85-L248 HydrophobicContact CG2-CD2 4.29Å; I85-V251 HydrophobicContact CG2-CG1 4.19Å |
| 86 | K | 98.4 | Very high | 96.7 | Very high | 87 Ų | 87 | 39.1 Ų | 39.1 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -14.8 | -174 | -58.5 | -45.9 | -177.6 | -174.1 | 0 | 113.9 | P11 L12 S83 N84 P252 V469 V471 | P11-K86 HydrophobicContact CB-CG 4.04Å; L12-K86 PolarHBondContact O-N 2.77Å; S83-K86 PolarHBondContact O-NZ 3.5Å; N84-K86 WeakPolarHBondContact O-CG 3.39Å; N84-K86 PolarHBondContact O-N 2.84Å; N84-K86 VanDerWaalsContact O-N 3.11Å; K86-P252 VanDerWaalsContact O-CD 3.3Å; K86-P252 WeakPolarHBondContact O-CD 3.33Å; K86-P252 WeakPolarHBondContact O-CG 3.42Å; K86-V469 HydrophobicContact CB-CG1 4.42Å; K86-V471 HydrophobicContact CB-CG1 4.01Å; K86-V471 HydrophobicContact CB-CG2 4.45Å; K86-V471 HydrophobicContact CG-CG1 4.08Å |
| 87 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 159.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V13 G14 P252 S254 A463 V469 | V13-A87 HydrophobicContact CG1-CB 4.15Å; V13-A87 WeakPolarHBondContact CG1-O 3.27Å; G14-A87 PolarHBondContact N-O 3.21Å; A87-P252 CarbonylContact C-O 3.59Å; A87-P252 WeakPolarHBondContact CA-O 3.46Å; A87-P252 HydrophobicContact CB-CG 4.37Å; A87-S254 VanDerWaalsContact CB-OG 3.29Å; A87-S254 WeakPolarHBondContact CB-OG 3.24Å; A87-A463 HydrophobicContact CB-CB 4.1Å; A87-V469 HydrophobicContact CB-CG1 3.75Å; A87-V469 HydrophobicContact CB-CG2 4.24Å |
| 88 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.6 | 170 | 175.1 | 0 | 0 | 0 | 0 | 110 | G14 V16 F25 I243 L248 V251 P252 I253 S254 | G14-V88 CarbonylContact O-C 3.59Å; G14-V88 VanDerWaalsContact O-CA 3.31Å; G14-V88 WeakPolarHBondContact O-CA 3.45Å; V16-V88 HydrophobicContact CG2-CG1 4.12Å; F25-V88 HydrophobicContact CE2-CG1 4.17Å; F25-V88 HydrophobicContact CE2-CG2 4.24Å; F25-V88 HydrophobicContact CZ-CG2 4.38Å; V88-I243 HydrophobicContact CB-CD1 4.22Å; V88-I243 HydrophobicContact CG2-CD1 3.85Å; V88-L248 HydrophobicContact CG2-CD1 3.86Å; V88-V251 HydrophobicContact CG2-CG1 4Å; V88-P252 PolarHBondContact N-O 3.02Å; V88-I253 WeakPolarHBondContact O-CA 3.27Å; V88-S254 PolarHBondContact O-N 3.13Å |
| 89 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 148.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G14 A15 V16 G255 | G14-G89 PolarHBondContact O-N 3.48Å; A15-G89 CarbonylContact C-O 3.56Å; A15-G89 WeakPolarHBondContact CA-O 3.42Å; V16-G89 PolarHBondContact N-O 3.35Å; G89-G255 CarbonylContact C-O 3.36Å; G89-G255 VanDerWaalsContact CA-O 3.31Å; G89-G255 WeakPolarHBondContact CA-O 3.27Å |
| 90 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133 | 172.6 | -65.8 | 174.9 | 0 | 0 | 0 | 108.8 | V16 D179 L182 I183 L186 I253 G255 C256 L257 | V16-I90 HydrophobicContact CB-CG1 4.38Å; I90-D179 HydrophobicContact CG2-CB 4.25Å; I90-L182 HydrophobicContact CD1-CB 4.26Å; I90-L182 HydrophobicContact CG2-CD1 4.18Å; I90-I183 HydrophobicContact CD1-CG1 3.59Å; I90-L186 HydrophobicContact CD1-CD1 4.13Å; I90-I253 HydrophobicContact CD1-CD1 4.26Å; I90-I253 HydrophobicContact CD1-CG2 3.63Å; I90-I253 HydrophobicContact CG1-CG2 4.02Å; I90-G255 PolarHBondContact N-O 3.29Å; I90-C256 VanDerWaalsContact O-CA 3.29Å; I90-C256 WeakPolarHBondContact O-CA 3.44Å; I90-L257 PolarHBondContact O-N 3.33Å |
| 91 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.8 | 165.1 | -169 | 0 | 0 | 0 | 0 | 110.1 | V16 V17 Q18 L257 D259 A262 T455 | V16-S91 PolarHBondContact O-N 2.83Å; V17-S91 CarbonylContact C-O 3.54Å; V17-S91 WeakPolarHBondContact CA-O 3.19Å; Q18-S91 PolarHBondContact N-O 2.65Å; S91-L257 WeakPolarHBondContact CA-O 3.36Å; S91-L257 VanDerWaalsContact CB-O 3.28Å; S91-L257 WeakPolarHBondContact CB-O 3.25Å; S91-L257 PolarHBondContact OG-O 3.16Å; S91-D259 VanDerWaalsContact OG-CA 3.24Å; S91-D259 WeakPolarHBondContact OG-CA 3.44Å; S91-D259 PolarHBondContact OG-N 2.65Å; S91-A262 VanDerWaalsContact OG-CB 3.3Å; S91-A262 WeakPolarHBondContact OG-CB 3.36Å; S91-T455 WeakPolarHBondContact OG-CG2 3.2Å |
| 92 | N | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.7 | -167 | 60.9 | -69.3 | 0 | 0 | 0 | 111.8 | Q18 R94 I178 D179 N201 D259 | Q18-N92 HydrophobicContact CB-CB 4.35Å; Q18-N92 CarbonylContact O-C 3.59Å; Q18-N92 WeakPolarHBondContact O-CA 3.45Å; N92-R94 PolarHBondContact O-N 3.01Å; N92-I178 HydrophobicContact CB-CB 3.87Å; N92-I178 HydrophobicContact CB-CG2 3.86Å; N92-D179 WeakPolarHBondContact OD1-CB 3.16Å; N92-N201 PolarHBondContact ND2-OD1 3.07Å; N92-N201 PolarHBondContact OD1-ND2 3.29Å; N92-N201 PolarHBondContact OD1-OD1 2.62Å; N92-D259 VanDerWaalsContact O-CB 3.3Å; N92-D259 WeakPolarHBondContact O-CB 3.18Å; N92-D259 PolarHBondContact O-N 2.94Å |
| 93 | Q | 95.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | trans | -55.3 | 128.7 | 160.8 | 68.8 | -175.6 | -35.8 | 0 | 0 | 108.7 | Q18 T20 I178 | Q18-Q93 PolarHBondContact O-N 2.63Å; Q18-Q93 VanDerWaalsContact OE1-NE2 3.09Å; T20-Q93 VanDerWaalsContact CA-OE1 3.26Å; T20-Q93 VanDerWaalsContact CB-OE1 3.26Å; T20-Q93 PolarHBondContact OG1-OE1 2.97Å; Q93-I178 HydrophobicContact CG-CG1 4.05Å | ||
| 94 | R | 96.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -78.8 | 169.8 | -177.7 | -66.1 | 173 | -61.2 | 146.1 | 18.8 | 110.2 | N92 T96 W114 R204 D259 Q260 E319 | N92-R94 PolarHBondContact O-N 3.01Å; R94-T96 PolarHBondContact O-N 2.84Å; R94-T96 PolarHBondContact O-OG1 2.89Å; R94-W114 WeakPolarHBondContact O-CB 3.26Å; R94-R204 HydrophobicContact CB-CG 4.23Å; R94-R204 HydrophobicContact CG-CG 4.41Å; R94-D259 WeakPolarHBondContact CD-OD1 3.41Å; R94-D259 IonicContact CZ-OD1 3.8Å; R94-D259 IonicContact NE-OD1 2.84Å; R94-D259 PolarHBondContact NE-OD1 3.03Å; R94-Q260 VanDerWaalsContact CZ-CG 3.46Å; R94-E319 IonicContact CZ-OE1 2.82Å; R94-E319 IonicContact CZ-OE2 2.73Å; R94-E319 IonicContact NH1-OE1 2.98Å; R94-E319 PolarHBondContact NH1-OE1 3.15Å; R94-E319 IonicContact NH1-OE2 3.9Å; R94-E319 PolarHBondContact NH1-OE2 3.35Å; R94-E319 IonicContact NH2-OE1 3Å; R94-E319 PolarHBondContact NH2-OE1 3.01Å; R94-E319 IonicContact NH2-OE2 2.91Å |
| 95 | E | 97.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 60.5 | -27.5 | 177.7 | -62.9 | 81 | -161.9 | 0 | 0 | 117.8 | T97 W114 Y148 F149 S150 R204 | E95-T97 PolarHBondContact O-N 3.38Å; E95-T97 PolarHBondContact O-OG1 2.64Å; E95-W114 HydrophobicContact CB-CB 3.89Å; E95-Y148 VanDerWaalsContact CB-O 3.24Å; E95-Y148 WeakPolarHBondContact CB-O 3.2Å; E95-Y148 HydrophobicContact CG-CD1 3.91Å; E95-Y148 HydrophobicContact CG-CE1 3.8Å; E95-Y148 VanDerWaalsContact OE1-CE1 3.3Å; E95-Y148 WeakPolarHBondContact OE1-CE1 3.37Å; E95-Y148 VanDerWaalsContact OE2-CE1 3.3Å; E95-Y148 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y148 PolarHBondContact OE2-OH 3.48Å; E95-Y148 VanDerWaalsContact OE2-OH 3.13Å; E95-F149 HydrophobicContact CG-CD1 3.8Å; E95-S150 WeakPolarHBondContact CA-OG 3.34Å; E95-S150 PolarHBondContact O-OG 3.29Å; E95-R204 HydrophobicContact CG-CB 4Å; E95-R204 VanDerWaalsContact OE1-CB 3.28Å; E95-R204 WeakPolarHBondContact OE1-CB 3.25Å; E95-R204 WeakPolarHBondContact OE1-CG 3.3Å; E95-R204 IonicContact OE1-CZ 2.83Å; E95-R204 VanDerWaalsContact OE1-CZ 3.29Å; E95-R204 IonicContact OE1-NE 3.58Å; E95-R204 PolarHBondContact OE1-NE 3.37Å; E95-R204 IonicContact OE1-NH2 3.21Å; E95-R204 PolarHBondContact OE1-NH2 2.91Å |
| 96 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -57.9 | 124.5 | -178 | -63 | 0 | 0 | 0 | 0 | 110.1 | R94 A111 V112 V113 W114 T177 I178 | R94-T96 PolarHBondContact O-N 2.84Å; R94-T96 PolarHBondContact O-OG1 2.89Å; T96-A111 HydrophobicContact CG2-CB 3.94Å; T96-V112 WeakPolarHBondContact CA-O 3.17Å; T96-V113 HydrophobicContact CG2-CG2 4.48Å; T96-W114 PolarHBondContact OG1-N 2.71Å; T96-W114 VanDerWaalsContact OG1-N 3.14Å; T96-T177 WeakPolarHBondContact O-CA 3.45Å; T96-I178 HydrophobicContact CG2-CD1 3.78Å; T96-I178 HydrophobicContact CG2-CG1 3.93Å | ||
| 97 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.4 | -165.8 | -68 | 0 | 0 | 0 | 0 | 111.1 | E95 A111 V112 S150 L154 M157 F175 | E95-T97 PolarHBondContact O-N 3.38Å; E95-T97 PolarHBondContact O-OG1 2.64Å; T97-A111 VanDerWaalsContact O-CA 3.32Å; T97-A111 WeakPolarHBondContact O-CA 3.27Å; T97-V112 PolarHBondContact N-O 3.08Å; T97-V112 PolarHBondContact O-N 2.87Å; T97-V112 VanDerWaalsContact O-N 3.08Å; T97-S150 WeakPolarHBondContact OG1-CA 3.16Å; T97-S150 VanDerWaalsContact OG1-CB 3.27Å; T97-S150 WeakPolarHBondContact OG1-CB 3.16Å; T97-S150 PolarHBondContact OG1-O 2.89Å; T97-L154 HydrophobicContact CG2-CB 4.43Å; T97-M157 HydrophobicContact CG2-CE 3.37Å; T97-F175 HydrophobicContact CG2-CD2 3.74Å; T97-F175 HydrophobicContact CG2-CE2 3.48Å; T97-F175 VanDerWaalsContact CG2-CE2 3.48Å |
| 98 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.7 | 171.6 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | P57 W100 A111 G176 I178 W181 | P57-V98 HydrophobicContact CB-CG1 3.97Å; P57-V98 HydrophobicContact CG-CG1 3.93Å; V98-W100 HydrophobicContact CB-CE3 4.37Å; V98-W100 HydrophobicContact CB-CZ3 4.46Å; V98-W100 HydrophobicContact CG1-CE3 4.02Å; V98-A111 HydrophobicContact CG2-CB 3.91Å; V98-G176 PolarHBondContact N-O 3.23Å; V98-G176 PolarHBondContact O-N 3.45Å; V98-I178 HydrophobicContact CG2-CD1 3.74Å; V98-W181 HydrophobicContact CB-CB 4.45Å; V98-W181 HydrophobicContact CG1-CD2 4.32Å; V98-W181 HydrophobicContact CG1-CE3 4.5Å; V98-W181 HydrophobicContact CG1-CG 4.34Å; V98-W181 HydrophobicContact CG2-CB 4.4Å |
| 99 | I | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.6 | 168.7 | -163.5 | -173 | 0 | 0 | 0 | 109.2 | L108 L154 M157 V164 V168 A173 L174 | I99-L108 HydrophobicContact CD1-CD1 4.42Å; I99-L108 HydrophobicContact CG1-CD1 4.29Å; I99-L108 HydrophobicContact CG2-CB 4.17Å; I99-L108 PolarHBondContact O-N 3.28Å; I99-L154 HydrophobicContact CD1-CD1 4.14Å; I99-M157 HydrophobicContact CB-CE 4.25Å; I99-M157 HydrophobicContact CG2-CE 3.87Å; I99-M157 HydrophobicContact CG2-SD 3.87Å; I99-V164 HydrophobicContact CD1-CB 4.45Å; I99-V164 HydrophobicContact CD1-CG1 3.43Å; I99-V164 VanDerWaalsContact CD1-CG1 3.43Å; I99-V164 HydrophobicContact CG2-CG1 4.27Å; I99-V164 HydrophobicContact CG2-CG2 3.69Å; I99-V168 HydrophobicContact CD1-CG2 4.2Å; I99-A173 HydrophobicContact CD1-CB 4Å; I99-A173 HydrophobicContact CG1-CB 4.25Å; I99-L174 VanDerWaalsContact CA-O 3.31Å; I99-L174 WeakPolarHBondContact CA-O 3.41Å; I99-L174 WeakPolarHBondContact CG1-O 3.37Å |
| 100 | W | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 164.5 | -175.4 | 69 | 99.3 | 0 | 0 | 0 | 111.3 | V98 E106 A173 L174 W181 W184 H195 | V98-W100 HydrophobicContact CB-CE3 4.37Å; V98-W100 HydrophobicContact CB-CZ3 4.46Å; V98-W100 HydrophobicContact CG1-CE3 4.02Å; W100-E106 WeakPolarHBondContact CA-O 3.4Å; W100-E106 WeakPolarHBondContact CB-O 3.19Å; W100-A173 CarbonylContact O-C 3.54Å; W100-A173 WeakPolarHBondContact O-CA 3.48Å; W100-L174 HydrophobicContact CD2-CB 4.05Å; W100-L174 HydrophobicContact CH2-CB 4.22Å; W100-L174 HydrophobicContact CZ2-CB 3.7Å; W100-L174 HydrophobicContact CZ2-CD1 4.02Å; W100-L174 PolarHBondContact N-O 2.61Å; W100-L174 PolarHBondContact O-N 2.81Å; W100-W181 HydrophobicContact CB-CE3 4.35Å; W100-W181 HydrophobicContact CB-CZ3 3.8Å; W100-W181 AromaticContact CD1-CZ3 3.77Å; W100-W181 AromaticContact CD2-CE3 3.63Å; W100-W181 HydrophobicContact CD2-CE3 3.63Å; W100-W181 AromaticContact CD2-CZ3 3.82Å; W100-W181 HydrophobicContact CD2-CZ3 3.82Å; W100-W181 AromaticContact CE2-CE3 3.97Å; W100-W181 AromaticContact CE3-CE3 3.82Å; W100-W181 HydrophobicContact CE3-CE3 3.82Å; W100-W181 HydrophobicContact CE3-CZ3 4.4Å; W100-W181 AromaticContact CG-CE3 3.88Å; W100-W181 HydrophobicContact CG-CE3 3.88Å; W100-W181 AromaticContact CG-CZ3 3.53Å; W100-W181 HydrophobicContact CG-CZ3 3.53Å; W100-W181 HydrophobicContact CZ2-CE3 4.49Å; W100-W181 HydrophobicContact CZ3-CB 4.41Å; W100-W181 HydrophobicContact CZ3-CE3 4.33Å; W100-W184 AromaticContact CD1-CZ3 3.98Å; W100-W184 HydrophobicContact CZ2-CB 4.03Å; W100-W184 HydrophobicContact CZ2-CD2 4.19Å; W100-W184 AromaticContact CZ2-CG 3.89Å; W100-W184 HydrophobicContact CZ2-CG 3.89Å; W100-W184 AromaticContact NE1-CD2 3.37Å; W100-W184 AromaticContact NE1-CE2 3.48Å; W100-W184 AromaticContact NE1-CE3 3.53Å; W100-W184 AromaticContact NE1-CG 3.96Å; W100-W184 AromaticContact NE1-CH2 3.98Å; W100-W184 AromaticContact NE1-CZ2 3.78Å; W100-W184 AromaticContact NE1-CZ3 3.85Å; W100-H195 AromaticContact CH2-CD2 3.81Å; W100-H195 AromaticContact CH2-NE2 3.94Å; W100-H195 AromaticContact CZ2-CD2 3.72Å |
| 101 | D | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.7 | 176.8 | 177.8 | -12.3 | 0 | 0 | 0 | 110.4 | L103 T104 G105 E106 L108 R172 | D101-L103 VanDerWaalsContact C-N 3.26Å; D101-L103 PolarHBondContact O-N 2.61Å; D101-L103 WeakPolarHBondContact OD1-CB 3.3Å; D101-L103 PolarHBondContact OD1-N 2.84Å; D101-T104 VanDerWaalsContact CB-OG1 3.26Å; D101-T104 WeakPolarHBondContact CB-OG1 3.3Å; D101-T104 VanDerWaalsContact CG-OG1 3.23Å; D101-T104 PolarHBondContact OD1-N 3.43Å; D101-T104 PolarHBondContact OD2-OG1 2.96Å; D101-G105 WeakPolarHBondContact O-CA 3.49Å; D101-G105 PolarHBondContact O-N 3.47Å; D101-E106 PolarHBondContact N-O 3.31Å; D101-L108 HydrophobicContact CB-CD2 4.18Å; D101-L108 HydrophobicContact CB-CG 4.35Å; D101-R172 IonicContact OD1-NH1 2.7Å; D101-R172 IonicContact OD2-CZ 2.82Å; D101-R172 IonicContact OD2-NH1 2.61Å; D101-R172 PolarHBondContact OD2-NH1 3.39Å |
| 102 | K | 97.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 26.3 Ų | 26.3 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.5 | -179.1 | 73.8 | -164.6 | 178.6 | -171.2 | 0 | 114.6 | G171 R172 L174 | K102-G171 WeakPolarHBondContact CE-O 3.16Å; K102-G171 PolarHBondContact NZ-O 3.41Å; K102-R172 VanDerWaalsContact CG-O 3.32Å; K102-R172 WeakPolarHBondContact CG-O 3.43Å; K102-R172 PolarHBondContact N-O 2.97Å; K102-L174 HydrophobicContact CB-CD1 3.53Å; K102-L174 HydrophobicContact CB-CD2 4.43Å; K102-L174 HydrophobicContact CB-CG 3.77Å; K102-L174 HydrophobicContact CD-CD2 4.17Å; K102-L174 HydrophobicContact CD-CG 4.37Å |
| 103 | L | 97.7 | Very high | 97.9 | Very high | 115 Ų | 115 | 26.3 Ų | 26.3 | 60% | 0.602 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -38.4 | -179 | -57.9 | -172.7 | 0 | 0 | 0 | 111.8 | D101 R172 V190 | D101-L103 VanDerWaalsContact C-N 3.26Å; D101-L103 PolarHBondContact O-N 2.61Å; D101-L103 WeakPolarHBondContact OD1-CB 3.3Å; D101-L103 PolarHBondContact OD1-N 2.84Å; L103-R172 HydrophobicContact CD1-CG 3.82Å; L103-R172 HydrophobicContact CG-CG 4.24Å; L103-V190 WeakPolarHBondContact O-CG1 3.29Å |
| 104 | T | 97.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 29 Ų | 29 | 48% | 0.479 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -25 | -178.2 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | D101 E106 V190 | D101-T104 VanDerWaalsContact CB-OG1 3.26Å; D101-T104 WeakPolarHBondContact CB-OG1 3.3Å; D101-T104 VanDerWaalsContact CG-OG1 3.23Å; D101-T104 PolarHBondContact OD1-N 3.43Å; D101-T104 PolarHBondContact OD2-OG1 2.96Å; T104-E106 PolarHBondContact O-N 2.97Å; T104-E106 WeakPolarHBondContact OG1-CB 3.16Å; T104-E106 PolarHBondContact OG1-N 3.43Å; T104-V190 VanDerWaalsContact C-CG1 3.43Å |
| 105 | G | 97.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | trans | 74.4 | 6.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D101 W181 W184 V190 | D101-G105 WeakPolarHBondContact O-CA 3.49Å; D101-G105 PolarHBondContact O-N 3.47Å; G105-W181 WeakPolarHBondContact O-CH2 3.45Å; G105-W184 VanDerWaalsContact CA-CH2 3.43Å; G105-V190 VanDerWaalsContact N-CG1 3.29Å | ||
| 106 | E | 98.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 31.8 Ų | 31.8 | 42% | 0.421 | 16% | 0.161 | S | C | . | . | trans | -83.2 | 132 | -177.5 | -69.4 | -68.1 | 136.9 | 0 | 0 | 110.4 | K58 W100 D101 T104 L108 | K58-E106 WeakPolarHBondContact CE-OE2 3.31Å; K58-E106 IonicContact NZ-OE1 3.29Å; K58-E106 PolarHBondContact NZ-OE1 2.93Å; K58-E106 IonicContact NZ-OE2 3.41Å; K58-E106 PolarHBondContact NZ-OE2 2.92Å; W100-E106 WeakPolarHBondContact CA-O 3.4Å; W100-E106 WeakPolarHBondContact CB-O 3.19Å; D101-E106 PolarHBondContact N-O 3.31Å; T104-E106 PolarHBondContact O-N 2.97Å; T104-E106 WeakPolarHBondContact OG1-CB 3.16Å; T104-E106 PolarHBondContact OG1-N 3.43Å; E106-L108 PolarHBondContact O-N 3.42Å | ||
| 107 | P | 98.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -57.4 | 132.8 | 166.8 | -20.5 | 32.6 | 0 | 0 | 0 | 109.5 | P57 K58 W181 | P57-P107 HydrophobicContact CB-CB 4.05Å; P57-P107 HydrophobicContact CB-CG 3.76Å; P57-P107 HydrophobicContact CG-CB 3.83Å; P57-P107 HydrophobicContact CG-CG 4.09Å; K58-P107 HydrophobicContact CG-CG 4.04Å; P107-W181 HydrophobicContact CG-CH2 4.02Å; P107-W181 HydrophobicContact CG-CZ2 4.07Å |
| 108 | L | 98.4 | Very high | 96 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -79 | -40.1 | -179.9 | -71 | 166.1 | 0 | 0 | 0 | 109.2 | I99 D101 E106 H163 V164 A167 A173 | I99-L108 HydrophobicContact CD1-CD1 4.42Å; I99-L108 HydrophobicContact CG1-CD1 4.29Å; I99-L108 HydrophobicContact CG2-CB 4.17Å; I99-L108 PolarHBondContact O-N 3.28Å; D101-L108 HydrophobicContact CB-CD2 4.18Å; D101-L108 HydrophobicContact CB-CG 4.35Å; E106-L108 PolarHBondContact O-N 3.42Å; L108-H163 PolarHBondContact O-CD2 3.21Å; L108-H163 PolarHBondContact O-NE2 2.87Å; L108-V164 HydrophobicContact CB-CG2 3.75Å; L108-A167 HydrophobicContact CD1-CB 3.54Å; L108-A167 HydrophobicContact CD2-CB 4.03Å; L108-A167 HydrophobicContact CG-CB 4.46Å; L108-A173 HydrophobicContact CD1-CB 4.06Å |
| 109 | Y | 98.3 | Very high | 95.8 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -137.6 | 166.3 | 176.2 | -167.1 | -99.2 | 0 | 0 | 0 | 109.6 | E54 V112 R118 W156 M157 V161 | E54-Y109 WeakPolarHBondContact OE1-CE1 3.44Å; E54-Y109 PolarHBondContact OE1-OH 2.8Å; Y109-V112 HydrophobicContact CD1-CG2 4.34Å; Y109-V112 HydrophobicContact CE1-CG2 4.26Å; Y109-R118 PolarHBondContact OH-NH1 2.91Å; Y109-W156 HydrophobicContact CE1-CZ3 4.25Å; Y109-M157 HydrophobicContact CD1-CG 4.47Å; Y109-M157 HydrophobicContact CD1-SD 4.02Å; Y109-M157 HydrophobicContact CG-SD 4.41Å; Y109-V161 HydrophobicContact CD2-CB 4.48Å; Y109-V161 HydrophobicContact CD2-CG1 3.72Å; Y109-V161 HydrophobicContact CD2-CG2 3.86Å; Y109-V161 HydrophobicContact CE2-CG1 4.46Å; Y109-V161 HydrophobicContact CE2-CG2 4.03Å; Y109-V161 HydrophobicContact CG-CG1 4.28Å; Y109-V161 HydrophobicContact CG-CG2 4.26Å |
| 110 | N | 98.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -57.8 | 153.8 | 170.7 | -84.3 | -6.4 | 0 | 0 | 0 | 111.5 | E46 E54 V112 | E46-N110 PolarHBondContact OE2-ND2 2.96Å; E54-N110 HydrophobicContact CB-CB 3.98Å; E54-N110 HydrophobicContact CG-CB 4.29Å; E54-N110 WeakPolarHBondContact OE2-CB 3.44Å; E54-N110 PolarHBondContact OE2-ND2 3Å; N110-V112 PolarHBondContact O-N 2.88Å | ||
| 111 | A | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 125.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E54 Q55 P57 T96 T97 V98 V113 | E54-A111 VanDerWaalsContact CA-O 3.27Å; E54-A111 WeakPolarHBondContact CA-O 3.34Å; Q55-A111 HydrophobicContact CB-CB 4.41Å; Q55-A111 PolarHBondContact N-O 3.41Å; Q55-A111 VanDerWaalsContact N-O 3.08Å; Q55-A111 WeakPolarHBondContact O-CB 3.32Å; Q55-A111 PolarHBondContact O-N 3.32Å; P57-A111 HydrophobicContact CG-CB 4.14Å; T96-A111 HydrophobicContact CG2-CB 3.94Å; T97-A111 VanDerWaalsContact O-CA 3.32Å; T97-A111 WeakPolarHBondContact O-CA 3.27Å; V98-A111 HydrophobicContact CG2-CB 3.91Å; A111-V113 PolarHBondContact O-N 3.02Å |
| 112 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.6 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | T96 T97 Y109 N110 D116 K153 M157 | T96-V112 WeakPolarHBondContact CA-O 3.17Å; T97-V112 PolarHBondContact N-O 3.08Å; T97-V112 PolarHBondContact O-N 2.87Å; T97-V112 VanDerWaalsContact O-N 3.08Å; Y109-V112 HydrophobicContact CD1-CG2 4.34Å; Y109-V112 HydrophobicContact CE1-CG2 4.26Å; N110-V112 PolarHBondContact O-N 2.88Å; V112-D116 HydrophobicContact CG1-CB 3.82Å; V112-K153 HydrophobicContact CB-CB 4.31Å; V112-K153 HydrophobicContact CB-CD 4.21Å; V112-K153 HydrophobicContact CB-CG 4.39Å; V112-K153 HydrophobicContact CG1-CB 4.22Å; V112-K153 HydrophobicContact CG1-CD 3.88Å; V112-K153 HydrophobicContact CG1-CG 3.86Å; V112-M157 HydrophobicContact CG2-CG 4.38Å; V112-M157 HydrophobicContact CG2-SD 4.13Å |
| 113 | V | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -73.9 | 150.4 | -169.2 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | T20 V53 Q55 T96 A111 L115 D116 K153 | T20-V113 HydrophobicContact CG2-CG1 3.99Å; V53-V113 HydrophobicContact CB-CB 4.1Å; V53-V113 HydrophobicContact CB-CG2 4.48Å; V53-V113 HydrophobicContact CG1-CB 3.85Å; V53-V113 HydrophobicContact CG1-CG1 4.21Å; V53-V113 HydrophobicContact CG1-CG2 3.91Å; V53-V113 WeakPolarHBondContact O-CB 3.47Å; V53-V113 WeakPolarHBondContact O-CG2 3.42Å; V53-V113 PolarHBondContact O-N 2.95Å; Q55-V113 HydrophobicContact CB-CG2 4.37Å; Q55-V113 HydrophobicContact CG-CG2 3.68Å; T96-V113 HydrophobicContact CG2-CG2 4.48Å; A111-V113 PolarHBondContact O-N 3.02Å; V113-L115 HydrophobicContact CG1-CD2 3.6Å; V113-L115 HydrophobicContact CG1-CG 3.97Å; V113-L115 PolarHBondContact O-N 3.31Å; V113-L115 VanDerWaalsContact O-N 3.11Å; V113-D116 WeakPolarHBondContact O-CB 3.49Å; V113-D116 PolarHBondContact O-N 3.08Å; V113-K153 WeakPolarHBondContact O-CE 3.46Å | ||
| 114 | W | 92.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 22% | 0.223 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -34.9 | -178.6 | 63.8 | -95.6 | 0 | 0 | 0 | 115 | T20 R94 E95 T96 D116 Y148 K153 F284 | T20-W114 PolarHBondContact OG1-NE1 2.77Å; R94-W114 WeakPolarHBondContact O-CB 3.26Å; E95-W114 HydrophobicContact CB-CB 3.89Å; T96-W114 PolarHBondContact OG1-N 2.71Å; T96-W114 VanDerWaalsContact OG1-N 3.14Å; W114-D116 VanDerWaalsContact C-N 3.3Å; W114-D116 PolarHBondContact O-N 3.49Å; W114-Y148 HydrophobicContact CB-CE2 4.39Å; W114-Y148 HydrophobicContact CD2-CE2 4.02Å; W114-Y148 AromaticContact CE3-CD2 3.83Å; W114-Y148 HydrophobicContact CE3-CD2 3.83Å; W114-Y148 AromaticContact CE3-CE2 3.17Å; W114-Y148 HydrophobicContact CE3-CE2 3.17Å; W114-Y148 HydrophobicContact CZ3-CD2 4.43Å; W114-Y148 AromaticContact CZ3-CE2 3.65Å; W114-Y148 HydrophobicContact CZ3-CE2 3.65Å; W114-K153 PolarHBondContact O-NZ 3.21Å; W114-F284 HydrophobicContact CH2-CZ 4.1Å |
| 115 | L | 85.9 | Confident | 94.2 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2.6 | 179.6 | 58.5 | 125.8 | 0 | 0 | 0 | 114.7 | T20 V53 V113 | T20-L115 HydrophobicContact CG2-CD2 3.8Å; V53-L115 HydrophobicContact CB-CD1 4.11Å; V53-L115 HydrophobicContact CB-CG 4.34Å; V53-L115 HydrophobicContact CG1-CD1 3.99Å; V53-L115 HydrophobicContact CG1-CG 4.27Å; V53-L115 HydrophobicContact CG2-CD1 3.57Å; V53-L115 HydrophobicContact CG2-CG 4.23Å; V113-L115 HydrophobicContact CG1-CD2 3.6Å; V113-L115 HydrophobicContact CG1-CG 3.97Å; V113-L115 PolarHBondContact O-N 3.31Å; V113-L115 VanDerWaalsContact O-N 3.11Å |
| 116 | D | 89.3 | Confident | 94 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -68.6 | 136.5 | 175.7 | -171.3 | -68.6 | 0 | 0 | 0 | 112 | W52 V53 V112 V113 W114 R118 | W52-D116 VanDerWaalsContact CA-OD2 3.24Å; W52-D116 WeakPolarHBondContact CA-OD2 3.38Å; V53-D116 HydrophobicContact CB-CB 4.44Å; V53-D116 PolarHBondContact N-OD2 3.06Å; V112-D116 HydrophobicContact CG1-CB 3.82Å; V113-D116 WeakPolarHBondContact O-CB 3.49Å; V113-D116 PolarHBondContact O-N 3.08Å; W114-D116 VanDerWaalsContact C-N 3.3Å; W114-D116 PolarHBondContact O-N 3.49Å; D116-R118 VanDerWaalsContact CG-NE 3.26Å; D116-R118 WeakPolarHBondContact OD1-CB 3.33Å; D116-R118 WeakPolarHBondContact OD1-CG 3.47Å; D116-R118 PolarHBondContact OD1-N 2.69Å; D116-R118 IonicContact OD1-NE 3.45Å; D116-R118 PolarHBondContact OD1-NE 2.73Å; D116-R118 IonicContact OD2-CZ 3.1Å; D116-R118 IonicContact OD2-NE 3.72Å; D116-R118 PolarHBondContact OD2-NE 3.17Å; D116-R118 IonicContact OD2-NH2 2.63Å; D116-R118 PolarHBondContact OD2-NH2 2.92Å | ||
| 117 | L | 86.6 | Confident | 93.6 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | trans | -107.6 | 2.1 | -176.4 | -58.5 | -179.2 | 0 | 0 | 0 | 113.8 | G51 T119 Q120 | G51-L117 PolarHBondContact O-N 2.94Å; L117-T119 PolarHBondContact O-N 2.86Å; L117-T119 VanDerWaalsContact O-N 3.08Å; L117-Q120 WeakPolarHBondContact O-CB 3.33Å; L117-Q120 PolarHBondContact O-N 3.32Å | ||
| 118 | R | 92.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.7 | -174.4 | 82.5 | -175 | 63.2 | -166.7 | -5 | 113.4 | W52 E54 Y109 D116 Q120 W156 | W52-R118 HydrophobicContact CD2-CB 3.98Å; W52-R118 VanDerWaalsContact CE3-NH1 3.33Å; W52-R118 HydrophobicContact CG-CB 4.11Å; W52-R118 HydrophobicContact CZ2-CB 4Å; W52-R118 VanDerWaalsContact NE1-CB 3.33Å; E54-R118 IonicContact OE1-CZ 3.79Å; E54-R118 IonicContact OE1-NH1 2.73Å; E54-R118 PolarHBondContact OE1-NH1 3.1Å; E54-R118 IonicContact OE1-NH2 2.65Å; E54-R118 PolarHBondContact OE1-NH2 3.34Å; Y109-R118 PolarHBondContact OH-NH1 2.91Å; D116-R118 VanDerWaalsContact CG-NE 3.26Å; D116-R118 WeakPolarHBondContact OD1-CB 3.33Å; D116-R118 WeakPolarHBondContact OD1-CG 3.47Å; D116-R118 PolarHBondContact OD1-N 2.69Å; D116-R118 IonicContact OD1-NE 3.45Å; D116-R118 PolarHBondContact OD1-NE 2.73Å; D116-R118 IonicContact OD2-CZ 3.1Å; D116-R118 IonicContact OD2-NE 3.72Å; D116-R118 PolarHBondContact OD2-NE 3.17Å; D116-R118 IonicContact OD2-NH2 2.63Å; D116-R118 PolarHBondContact OD2-NH2 2.92Å; R118-Q120 PolarHBondContact O-N 3Å; R118-W156 HydrophobicContact CG-CD2 4.06Å; R118-W156 HydrophobicContact CG-CG 4.21Å |
| 119 | T | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 13.3 | -175 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | L117 T121 T122 V123 T147 V152 K153 W156 | L117-T119 PolarHBondContact O-N 2.86Å; L117-T119 VanDerWaalsContact O-N 3.08Å; T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 3.35Å; T119-T122 WeakPolarHBondContact O-CB 3.44Å; T119-T122 PolarHBondContact O-N 2.94Å; T119-V123 WeakPolarHBondContact O-CG2 3.17Å; T119-V123 PolarHBondContact O-N 3.45Å; T119-T147 WeakPolarHBondContact OG1-CA 3.34Å; T119-T147 WeakPolarHBondContact OG1-CB 3.18Å; T119-T147 WeakPolarHBondContact OG1-CG2 3.43Å; T119-V152 HydrophobicContact CG2-CG2 4.43Å; T119-V152 WeakPolarHBondContact CG2-O 3.37Å; T119-K153 HydrophobicContact CG2-CG 4.13Å; T119-W156 HydrophobicContact CG2-CB 3.82Å; T119-W156 HydrophobicContact CG2-CG 4.18Å |
| 120 | Q | 90.9 | Very high | 92.2 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 178.7 | -178.1 | 59.1 | 41 | 0 | 0 | 111.6 | L117 R118 V123 E124 T147 | L117-Q120 WeakPolarHBondContact O-CB 3.33Å; L117-Q120 PolarHBondContact O-N 3.32Å; R118-Q120 PolarHBondContact O-N 3Å; Q120-V123 WeakPolarHBondContact O-CB 3.29Å; Q120-V123 PolarHBondContact O-N 2.82Å; Q120-E124 PolarHBondContact NE2-OE1 3.48Å; Q120-E124 WeakPolarHBondContact O-CG 3.39Å; Q120-E124 PolarHBondContact O-N 3.25Å; Q120-T147 HydrophobicContact CB-CG2 4.14Å |
| 121 | T | 91.8 | Very high | 90.8 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.3 | 50.4 | 0 | 0 | 0 | 0 | 112 | T119 V123 E124 E125 | T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 3.35Å; T121-V123 VanDerWaalsContact C-N 3.31Å; T121-V123 PolarHBondContact O-N 3.07Å; T121-E124 PolarHBondContact O-N 3.36Å; T121-E125 WeakPolarHBondContact O-CG 3.18Å; T121-E125 PolarHBondContact O-N 3.01Å |
| 122 | T | 94.5 | Very high | 89.2 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 174.4 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | T119 E125 L126 V152 R155 | T119-T122 WeakPolarHBondContact O-CB 3.44Å; T119-T122 PolarHBondContact O-N 2.94Å; T122-E125 PolarHBondContact O-N 2.99Å; T122-L126 HydrophobicContact CG2-CD1 3.92Å; T122-L126 WeakPolarHBondContact O-CB 3.32Å; T122-L126 WeakPolarHBondContact O-CD1 3.43Å; T122-L126 VanDerWaalsContact O-CG 3.23Å; T122-L126 WeakPolarHBondContact O-CG 3.31Å; T122-L126 PolarHBondContact O-N 2.98Å; T122-V152 HydrophobicContact CG2-CB 4.46Å; T122-R155 HydrophobicContact CG2-CB 4.29Å; T122-R155 HydrophobicContact CG2-CG 3.97Å |
| 123 | V | 92.9 | Very high | 87.4 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.8 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | T119 Q120 T121 E125 L126 S127 L145 T147 V152 | T119-V123 WeakPolarHBondContact O-CG2 3.17Å; T119-V123 PolarHBondContact O-N 3.45Å; Q120-V123 WeakPolarHBondContact O-CB 3.29Å; Q120-V123 PolarHBondContact O-N 2.82Å; T121-V123 VanDerWaalsContact C-N 3.31Å; T121-V123 PolarHBondContact O-N 3.07Å; V123-E125 PolarHBondContact O-N 2.88Å; V123-L126 PolarHBondContact O-N 2.8Å; V123-S127 VanDerWaalsContact O-CB 3.29Å; V123-S127 WeakPolarHBondContact O-CB 3.19Å; V123-S127 PolarHBondContact O-N 2.9Å; V123-L145 HydrophobicContact CG1-CD2 4.21Å; V123-L145 HydrophobicContact CG1-CG 4.06Å; V123-L145 WeakPolarHBondContact O-CD2 3.33Å; V123-T147 HydrophobicContact CG2-CG2 4.14Å; V123-V152 HydrophobicContact CG2-CB 4.29Å; V123-V152 HydrophobicContact CG2-CG1 3.92Å; V123-V152 HydrophobicContact CG2-CG2 4.28Å |
| 124 | E | 91.4 | Very high | 86.2 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178 | -72.5 | 167.6 | -163 | 0 | 0 | 112.5 | Q120 T121 K128 | Q120-E124 PolarHBondContact NE2-OE1 3.48Å; Q120-E124 WeakPolarHBondContact O-CG 3.39Å; Q120-E124 PolarHBondContact O-N 3.25Å; T121-E124 PolarHBondContact O-N 3.36Å; E124-K128 WeakPolarHBondContact O-CG 3.3Å; E124-K128 PolarHBondContact O-N 3.11Å |
| 125 | E | 92.6 | Very high | 85.6 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 176.3 | -72.7 | 175.1 | 177.1 | 0 | 0 | 112.1 | T121 T122 V123 S127 K128 K129 | T121-E125 WeakPolarHBondContact O-CG 3.18Å; T121-E125 PolarHBondContact O-N 3.01Å; T122-E125 PolarHBondContact O-N 2.99Å; V123-E125 PolarHBondContact O-N 2.88Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 2.8Å; E125-K128 WeakPolarHBondContact O-CB 3.41Å; E125-K128 PolarHBondContact O-N 2.98Å; E125-K129 PolarHBondContact O-N 2.91Å |
| 126 | L | 92.6 | Very high | 85.7 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 175.9 | -72.8 | 167.9 | 0 | 0 | 0 | 111.6 | T122 V123 K128 K129 I130 L145 V152 F222 F223 | T122-L126 HydrophobicContact CG2-CD1 3.92Å; T122-L126 WeakPolarHBondContact O-CB 3.32Å; T122-L126 WeakPolarHBondContact O-CD1 3.43Å; T122-L126 VanDerWaalsContact O-CG 3.23Å; T122-L126 WeakPolarHBondContact O-CG 3.31Å; T122-L126 PolarHBondContact O-N 2.98Å; V123-L126 PolarHBondContact O-N 2.8Å; L126-K128 PolarHBondContact O-N 2.86Å; L126-K129 HydrophobicContact CD2-CD 4.4Å; L126-K129 WeakPolarHBondContact O-CB 3.44Å; L126-K129 PolarHBondContact O-N 2.87Å; L126-I130 PolarHBondContact O-N 2.86Å; L126-L145 HydrophobicContact CB-CD2 3.92Å; L126-V152 HydrophobicContact CD1-CG1 3.77Å; L126-F222 HydrophobicContact CB-CE1 4.34Å; L126-F222 HydrophobicContact CB-CZ 4.07Å; L126-F222 HydrophobicContact CD2-CE1 4.09Å; L126-F222 HydrophobicContact CD2-CZ 4.13Å; L126-F223 HydrophobicContact CD1-CD1 3.73Å; L126-F223 HydrophobicContact CD1-CE1 3.83Å; L126-F223 HydrophobicContact CD2-CD1 4.4Å |
| 127 | S | 90.3 | Very high | 85.9 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -33.6 | 176.8 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | V123 E125 K129 I130 | V123-S127 VanDerWaalsContact O-CB 3.29Å; V123-S127 WeakPolarHBondContact O-CB 3.19Å; V123-S127 PolarHBondContact O-N 2.9Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 2.8Å; S127-K129 VanDerWaalsContact C-N 3.29Å; S127-K129 PolarHBondContact O-N 2.85Å; S127-I130 PolarHBondContact O-N 2.83Å |
| 128 | K | 90.6 | Very high | 86.2 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.2 | -24.3 | 175.4 | -68.1 | 165.8 | -171.7 | 168.1 | 0 | 112.9 | E124 E125 L126 I130 | E124-K128 WeakPolarHBondContact O-CG 3.3Å; E124-K128 PolarHBondContact O-N 3.11Å; E125-K128 WeakPolarHBondContact O-CB 3.41Å; E125-K128 PolarHBondContact O-N 2.98Å; L126-K128 PolarHBondContact O-N 2.86Å; K128-I130 VanDerWaalsContact C-N 3.34Å |
| 129 | K | 89.3 | Confident | 86.2 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.5 | -19.1 | 176.3 | -63.6 | -177.3 | -177.1 | 176.3 | 0 | 112.5 | E125 L126 S127 P131 F222 E224 | E125-K129 PolarHBondContact O-N 2.91Å; L126-K129 HydrophobicContact CD2-CD 4.4Å; L126-K129 WeakPolarHBondContact O-CB 3.44Å; L126-K129 PolarHBondContact O-N 2.87Å; S127-K129 VanDerWaalsContact C-N 3.29Å; S127-K129 PolarHBondContact O-N 2.85Å; K129-P131 WeakPolarHBondContact O-CD 3.33Å; K129-F222 HydrophobicContact CB-CE2 4.02Å; K129-E224 IonicContact NZ-OE1 3.19Å; K129-E224 PolarHBondContact NZ-OE1 3.22Å |
| 130 | I | 85.7 | Confident | 86.3 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -77.8 | 121.3 | 179.3 | -62 | 176.2 | 0 | 0 | 0 | 109.3 | L126 S127 K128 G132 S134 V137 L145 F222 | L126-I130 PolarHBondContact O-N 2.86Å; S127-I130 PolarHBondContact O-N 2.83Å; K128-I130 VanDerWaalsContact C-N 3.34Å; I130-G132 PolarHBondContact O-N 2.82Å; I130-S134 VanDerWaalsContact CG2-O 3.32Å; I130-S134 WeakPolarHBondContact CG2-O 3.48Å; I130-V137 HydrophobicContact CD1-CG2 4.39Å; I130-L145 HydrophobicContact CD1-CD2 4.26Å; I130-F222 HydrophobicContact CD1-CE2 4.44Å; I130-F222 HydrophobicContact CD1-CZ 3.84Å; I130-F222 HydrophobicContact CG1-CE2 3.66Å; I130-F222 HydrophobicContact CG1-CZ 3.52Å |
| 131 | P | 68.9 | Low | 86.6 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 69% | 0.688 | 37% | 0.372 | S | S | * | . | trans | -67.2 | 117 | 179.6 | -17.3 | 29.7 | 0 | 0 | 0 | 111.9 | K129 S134 | K129-P131 WeakPolarHBondContact O-CD 3.33Å; P131-S134 WeakPolarHBondContact O-CB 3.44Å; P131-S134 PolarHBondContact O-N 3.05Å | ||
| 132 | G | 65.6 | Low | 86.7 | Confident | 70 Ų | 70 | 63 Ų | 63 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -148.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | I130 S134 | I130-G132 PolarHBondContact O-N 2.82Å; G132-S134 PolarHBondContact O-N 2.94Å |
| 133 | N | 60.9 | Low | 86.7 | Confident | 172 Ų | 172 | 62.6 Ų | 62.6 | 92% | 0.92 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 30.1 | 175.5 | -75.4 | -8.9 | 0 | 0 | 0 | 113.7 | N135 | N133-N135 PolarHBondContact O-N 3.06Š|
| 134 | S | 69.9 | Low | 86.6 | Confident | 54 Ų | 54 | 63.9 Ų | 63.9 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | trans | -72.2 | 116.3 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | I130 P131 G132 F136 | I130-S134 VanDerWaalsContact CG2-O 3.32Å; I130-S134 WeakPolarHBondContact CG2-O 3.48Å; P131-S134 WeakPolarHBondContact O-CB 3.44Å; P131-S134 PolarHBondContact O-N 3.05Å; G132-S134 PolarHBondContact O-N 2.94Å; S134-F136 PolarHBondContact O-N 2.9Å; S134-F136 WeakPolarHBondContact OG-CB 3.32Å; S134-F136 PolarHBondContact OG-N 2.82Å | ||
| 135 | N | 81.3 | Confident | 86.5 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 61% | 0.61 | 34% | 0.344 | S | S | * | . | trans | -84.3 | 32.4 | 172.1 | -75.7 | -34 | 0 | 0 | 0 | 112.1 | N133 V137 K138 S139 | N133-N135 PolarHBondContact O-N 3.06Å; N135-V137 PolarHBondContact O-N 2.79Å; N135-K138 HydrophobicContact CB-CB 4.36Å; N135-K138 CarbonylContact O-C 3.54Å; N135-K138 PolarHBondContact O-N 3.39Å; N135-K138 VanDerWaalsContact O-N 3.1Å; N135-S139 PolarHBondContact O-N 2.9Å; N135-S139 PolarHBondContact O-OG 2.82Å | ||
| 136 | F | 88.1 | Confident | 86.4 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -51.6 | -48.6 | -171.8 | 165.3 | -102.8 | 0 | 0 | 0 | 114 | S134 S139 K140 E218 L219 F222 | S134-F136 PolarHBondContact O-N 2.9Å; S134-F136 WeakPolarHBondContact OG-CB 3.32Å; S134-F136 PolarHBondContact OG-N 2.82Å; F136-S139 PolarHBondContact O-OG 3.34Å; F136-S139 VanDerWaalsContact O-OG 3.06Å; F136-K140 HydrophobicContact CD2-CD 4.46Å; F136-K140 HydrophobicContact CE2-CD 3.91Å; F136-K140 VanDerWaalsContact CE2-CE 3.48Å; F136-K140 HydrophobicContact CZ-CD 4.22Å; F136-E218 HydrophobicContact CE2-CB 4.21Å; F136-E218 WeakPolarHBondContact CE2-OE2 3.32Å; F136-E218 HydrophobicContact CZ-CB 3.81Å; F136-L219 HydrophobicContact CD1-CD2 4.32Å; F136-L219 HydrophobicContact CE1-CD2 3.64Å; F136-L219 HydrophobicContact CZ-CD2 3.93Å; F136-F222 HydrophobicContact CE1-CB 4.19Å; F136-F222 HydrophobicContact CE1-CG 4.31Å |
| 137 | V | 92.6 | Very high | 86.2 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | I130 N135 S139 K140 T141 M206 L219 F222 F223 | I130-V137 HydrophobicContact CD1-CG2 4.39Å; N135-V137 PolarHBondContact O-N 2.79Å; V137-S139 PolarHBondContact O-N 3.27Å; V137-K140 PolarHBondContact O-N 2.78Å; V137-T141 HydrophobicContact CG1-CG2 4.27Å; V137-T141 WeakPolarHBondContact O-CB 3.28Å; V137-T141 WeakPolarHBondContact O-CG2 3.32Å; V137-T141 PolarHBondContact O-N 3.04Å; V137-T141 PolarHBondContact O-OG1 3.24Å; V137-M206 HydrophobicContact CG1-CB 4.29Å; V137-M206 HydrophobicContact CG1-CG 4.32Å; V137-M206 HydrophobicContact CG1-SD 4.12Å; V137-L219 HydrophobicContact CG2-CD2 4.45Å; V137-F222 HydrophobicContact CG2-CD1 4.46Å; V137-F222 HydrophobicContact CG2-CE1 4.16Å; V137-F223 HydrophobicContact CG1-CZ 4.45Å; V137-F223 HydrophobicContact CG2-CZ 4.28Å |
| 138 | K | 92.5 | Very high | 86.2 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 23% | 0.226 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | -177.7 | -173.7 | 177.8 | 176.7 | -177.4 | 0 | 112.4 | N135 K140 G142 L143 F295 S296 | N135-K138 HydrophobicContact CB-CB 4.36Å; N135-K138 CarbonylContact O-C 3.54Å; N135-K138 PolarHBondContact O-N 3.39Å; N135-K138 VanDerWaalsContact O-N 3.1Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 3.39Å; K138-G142 VanDerWaalsContact O-CA 3.24Å; K138-G142 WeakPolarHBondContact O-CA 3.22Å; K138-G142 PolarHBondContact O-N 3.3Å; K138-L143 WeakPolarHBondContact CA-O 3.32Å; K138-L143 WeakPolarHBondContact CB-O 3.18Å; K138-L143 PolarHBondContact N-O 3.12Å; K138-F295 VanDerWaalsContact O-CE1 3.24Å; K138-F295 WeakPolarHBondContact O-CE1 3.5Å; K138-S296 PolarHBondContact NZ-O 2.98Å |
| 139 | S | 93.8 | Very high | 86.5 | Confident | 59 Ų | 59 | 48.3 Ų | 48.3 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -29.1 | -178 | 64.8 | 0 | 0 | 0 | 0 | 113 | N135 F136 V137 H211 F295 | N135-S139 PolarHBondContact O-N 2.9Å; N135-S139 PolarHBondContact O-OG 2.82Å; F136-S139 PolarHBondContact O-OG 3.34Å; F136-S139 VanDerWaalsContact O-OG 3.06Å; V137-S139 PolarHBondContact O-N 3.27Å; S139-H211 PolarHBondContact O-NE2 2.89Å; S139-F295 WeakPolarHBondContact O-CZ 3.29Å |
| 140 | K | 96.1 | Very high | 86.9 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -91.1 | -36 | 178.5 | -67 | -174.1 | 169.6 | -154.4 | 0 | 114 | F136 V137 K138 N209 I210 D216 E218 L219 | F136-K140 HydrophobicContact CD2-CD 4.46Å; F136-K140 HydrophobicContact CE2-CD 3.91Å; F136-K140 VanDerWaalsContact CE2-CE 3.48Å; F136-K140 HydrophobicContact CZ-CD 4.22Å; V137-K140 PolarHBondContact O-N 2.78Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 3.39Å; K140-N209 WeakPolarHBondContact O-CA 3.42Å; K140-I210 WeakPolarHBondContact O-CG1 3.44Å; K140-I210 PolarHBondContact O-N 3.24Å; K140-D216 WeakPolarHBondContact CD-OD2 3.38Å; K140-D216 IonicContact NZ-OD1 3.49Å; K140-D216 PolarHBondContact NZ-OD1 2.72Å; K140-D216 IonicContact NZ-OD2 3.18Å; K140-D216 PolarHBondContact NZ-OD2 2.78Å; K140-E218 WeakPolarHBondContact CE-OE2 3.31Å; K140-E218 IonicContact NZ-OE2 3Å; K140-E218 PolarHBondContact NZ-OE2 2.88Å; K140-L219 HydrophobicContact CB-CD1 4.06Å; K140-L219 HydrophobicContact CB-CD2 4.49Å; K140-L219 HydrophobicContact CD-CD1 4.27Å; K140-L219 HydrophobicContact CD-CD2 4.09Å; K140-L219 HydrophobicContact CD-CG 3.99Å |
| 141 | T | 96.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -107.6 | -20.6 | -169.7 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | V137 L143 I210 L219 | V137-T141 HydrophobicContact CG1-CG2 4.27Å; V137-T141 WeakPolarHBondContact O-CB 3.28Å; V137-T141 WeakPolarHBondContact O-CG2 3.32Å; V137-T141 PolarHBondContact O-N 3.04Å; V137-T141 PolarHBondContact O-OG1 3.24Å; T141-L143 WeakPolarHBondContact OG1-CB 3.45Å; T141-L143 PolarHBondContact OG1-N 3.39Å; T141-I210 WeakPolarHBondContact O-CG2 3.46Å; T141-L219 HydrophobicContact CG2-CD1 3.37Å; T141-L219 HydrophobicContact CG2-CD2 4.29Å |
| 142 | G | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 78.6 | 1.5 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | K138 T302 | K138-G142 VanDerWaalsContact O-CA 3.24Å; K138-G142 WeakPolarHBondContact O-CA 3.22Å; K138-G142 PolarHBondContact O-N 3.3Å; G142-T302 CarbonylContact C-O 3.33Å; G142-T302 WeakPolarHBondContact CA-O 3.36Å; G142-T302 PolarHBondContact O-N 3Å; G142-T302 VanDerWaalsContact O-N 3.09Å |
| 143 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -114.4 | 143.1 | -170.2 | -52.5 | 178.6 | 0 | 0 | 0 | 112.6 | K138 T141 F149 S203 M206 L301 | K138-L143 WeakPolarHBondContact CA-O 3.32Å; K138-L143 WeakPolarHBondContact CB-O 3.18Å; K138-L143 PolarHBondContact N-O 3.12Å; T141-L143 WeakPolarHBondContact OG1-CB 3.45Å; T141-L143 PolarHBondContact OG1-N 3.39Å; L143-F149 HydrophobicContact CB-CD2 4.33Å; L143-F149 HydrophobicContact CB-CE1 4.2Å; L143-F149 HydrophobicContact CB-CE2 3.87Å; L143-F149 HydrophobicContact CB-CZ 3.8Å; L143-F149 HydrophobicContact CD1-CD1 3.52Å; L143-F149 HydrophobicContact CD1-CD2 4.39Å; L143-F149 HydrophobicContact CD1-CE1 3.52Å; L143-F149 HydrophobicContact CD1-CE2 4.42Å; L143-F149 HydrophobicContact CD1-CG 3.97Å; L143-F149 HydrophobicContact CD1-CZ 4.01Å; L143-F149 HydrophobicContact CD2-CD1 4.47Å; L143-F149 HydrophobicContact CD2-CE1 3.6Å; L143-F149 HydrophobicContact CD2-CZ 3.7Å; L143-F149 HydrophobicContact CG-CD1 4.41Å; L143-F149 HydrophobicContact CG-CE1 3.95Å; L143-F149 HydrophobicContact CG-CZ 4.03Å; L143-S203 WeakPolarHBondContact CD1-O 3.24Å; L143-M206 HydrophobicContact CB-CG 4.21Å; L143-M206 HydrophobicContact CD1-CG 3.84Å; L143-L301 HydrophobicContact CD2-CB 4.33Å; L143-L301 HydrophobicContact CD2-CD1 4.5Å; L143-L301 HydrophobicContact CD2-CD2 4.4Å | ||
| 144 | P | 90.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 25 Ų | 25 | 27% | 0.273 | 14% | 0.138 | S | C | . | . | trans | -74.3 | 159.3 | 167.4 | 33.3 | -34 | 0 | 0 | 0 | 110.9 | S146 F149 L301 | P144-S146 PolarHBondContact O-N 2.72Å; P144-F149 HydrophobicContact CG-CE2 4.16Å; P144-F149 WeakPolarHBondContact O-CD2 3.18Å; P144-F149 WeakPolarHBondContact O-CE2 3.35Å; P144-L301 HydrophobicContact CG-CD2 3.96Å | ||
| 145 | L | 90.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 19% | 0.188 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -71.1 | 116.4 | 168.2 | -169.8 | 70 | 0 | 0 | 0 | 108.9 | V123 L126 I130 V152 M206 F223 | V123-L145 HydrophobicContact CG1-CD2 4.21Å; V123-L145 HydrophobicContact CG1-CG 4.06Å; V123-L145 WeakPolarHBondContact O-CD2 3.33Å; L126-L145 HydrophobicContact CB-CD2 3.92Å; I130-L145 HydrophobicContact CD1-CD2 4.26Å; L145-V152 HydrophobicContact CD1-CG1 4.24Å; L145-M206 HydrophobicContact CD1-CE 3.99Å; L145-M206 HydrophobicContact CD1-SD 4.24Å; L145-F223 HydrophobicContact CD1-CE1 3.71Å; L145-F223 HydrophobicContact CD1-CZ 3.91Å |
| 146 | S | 89.9 | Confident | 94.4 | Very high | 28 Ų | 28 | 19.2 Ų | 19.2 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | trans | -152.9 | 156.9 | -174.1 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | P144 Y148 V152 | P144-S146 PolarHBondContact O-N 2.72Å; S146-Y148 PolarHBondContact O-N 2.96Å; S146-Y148 VanDerWaalsContact O-N 3.17Å; S146-Y148 PolarHBondContact OG-N 2.71Å; S146-V152 WeakPolarHBondContact O-CG2 3.44Å | ||
| 147 | T | 88.2 | Confident | 94.9 | Very high | 14 Ų | 14 | 17 Ų | 17 | 9% | 0.086 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.8 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | T119 Q120 V123 F149 K153 | T119-T147 WeakPolarHBondContact OG1-CA 3.34Å; T119-T147 WeakPolarHBondContact OG1-CB 3.18Å; T119-T147 WeakPolarHBondContact OG1-CG2 3.43Å; Q120-T147 HydrophobicContact CB-CG2 4.14Å; V123-T147 HydrophobicContact CG2-CG2 4.14Å; T147-F149 PolarHBondContact O-N 3.14Å; T147-K153 PolarHBondContact O-NZ 3.23Å |
| 148 | Y | 89.6 | Confident | 95.1 | Very high | 42 Ų | 42 | 17.3 Ų | 17.3 | 17% | 0.165 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -41.7 | -175.3 | -167.9 | -109.9 | 0 | 0 | 0 | 113.5 | E95 W114 S146 K153 | E95-Y148 VanDerWaalsContact CB-O 3.24Å; E95-Y148 WeakPolarHBondContact CB-O 3.2Å; E95-Y148 HydrophobicContact CG-CD1 3.91Å; E95-Y148 HydrophobicContact CG-CE1 3.8Å; E95-Y148 VanDerWaalsContact OE1-CE1 3.3Å; E95-Y148 WeakPolarHBondContact OE1-CE1 3.37Å; E95-Y148 VanDerWaalsContact OE2-CE1 3.3Å; E95-Y148 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y148 PolarHBondContact OE2-OH 3.48Å; E95-Y148 VanDerWaalsContact OE2-OH 3.13Å; W114-Y148 HydrophobicContact CB-CE2 4.39Å; W114-Y148 HydrophobicContact CD2-CE2 4.02Å; W114-Y148 AromaticContact CE3-CD2 3.83Å; W114-Y148 HydrophobicContact CE3-CD2 3.83Å; W114-Y148 AromaticContact CE3-CE2 3.17Å; W114-Y148 HydrophobicContact CE3-CE2 3.17Å; W114-Y148 HydrophobicContact CZ3-CD2 4.43Å; W114-Y148 AromaticContact CZ3-CE2 3.65Å; W114-Y148 HydrophobicContact CZ3-CE2 3.65Å; S146-Y148 PolarHBondContact O-N 2.96Å; S146-Y148 VanDerWaalsContact O-N 3.17Å; S146-Y148 PolarHBondContact OG-N 2.71Å; Y148-K153 PolarHBondContact O-NZ 3.28Å |
| 149 | F | 96.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -90.4 | 161.1 | -166.4 | -53.4 | -70.8 | 0 | 0 | 0 | 115.4 | E95 L143 P144 T147 A151 V152 R204 M206 L301 | E95-F149 HydrophobicContact CG-CD1 3.8Å; L143-F149 HydrophobicContact CB-CD2 4.33Å; L143-F149 HydrophobicContact CB-CE1 4.2Å; L143-F149 HydrophobicContact CB-CE2 3.87Å; L143-F149 HydrophobicContact CB-CZ 3.8Å; L143-F149 HydrophobicContact CD1-CD1 3.52Å; L143-F149 HydrophobicContact CD1-CD2 4.39Å; L143-F149 HydrophobicContact CD1-CE1 3.52Å; L143-F149 HydrophobicContact CD1-CE2 4.42Å; L143-F149 HydrophobicContact CD1-CG 3.97Å; L143-F149 HydrophobicContact CD1-CZ 4.01Å; L143-F149 HydrophobicContact CD2-CD1 4.47Å; L143-F149 HydrophobicContact CD2-CE1 3.6Å; L143-F149 HydrophobicContact CD2-CZ 3.7Å; L143-F149 HydrophobicContact CG-CD1 4.41Å; L143-F149 HydrophobicContact CG-CE1 3.95Å; L143-F149 HydrophobicContact CG-CZ 4.03Å; P144-F149 HydrophobicContact CG-CE2 4.16Å; P144-F149 WeakPolarHBondContact O-CD2 3.18Å; P144-F149 WeakPolarHBondContact O-CE2 3.35Å; T147-F149 PolarHBondContact O-N 3.14Å; F149-A151 PolarHBondContact O-N 3.06Å; F149-V152 VanDerWaalsContact O-CG2 3.28Å; F149-V152 WeakPolarHBondContact O-CG2 3.44Å; F149-R204 WeakPolarHBondContact CD1-O 3.42Å; F149-M206 HydrophobicContact CB-CE 3.9Å; F149-M206 HydrophobicContact CB-CG 3.57Å; F149-M206 HydrophobicContact CB-SD 3.82Å; F149-M206 HydrophobicContact CD2-CG 3.9Å; F149-M206 HydrophobicContact CD2-SD 3.57Å; F149-M206 VanDerWaalsContact CD2-SD 3.57Å; F149-M206 HydrophobicContact CG-CG 3.8Å; F149-M206 HydrophobicContact CG-SD 4Å; F149-L301 HydrophobicContact CE1-CD1 4.44Å; F149-L301 HydrophobicContact CZ-CD1 4.15Å; F149-L301 HydrophobicContact CZ-CD2 4.15Å |
| 150 | S | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | -167.6 | -48.7 | 0 | 0 | 0 | 0 | 115.4 | E95 T97 V152 K153 L154 | E95-S150 WeakPolarHBondContact CA-OG 3.34Å; E95-S150 PolarHBondContact O-OG 3.29Å; T97-S150 WeakPolarHBondContact OG1-CA 3.16Å; T97-S150 VanDerWaalsContact OG1-CB 3.27Å; T97-S150 WeakPolarHBondContact OG1-CB 3.16Å; T97-S150 PolarHBondContact OG1-O 2.89Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 2.91Å; S150-K153 WeakPolarHBondContact O-CB 3.11Å; S150-K153 PolarHBondContact O-N 2.79Å; S150-K153 VanDerWaalsContact O-N 3.14Å; S150-L154 PolarHBondContact O-N 2.98Å |
| 151 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | F149 K153 L154 R155 T205 M206 L207 F223 I225 | F149-A151 PolarHBondContact O-N 3.06Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.06Å; A151-L154 PolarHBondContact O-N 3.25Å; A151-R155 WeakPolarHBondContact O-CB 3.43Å; A151-R155 PolarHBondContact O-N 3.12Å; A151-T205 WeakPolarHBondContact CB-O 3.28Å; A151-T205 PolarHBondContact N-O 3.11Å; A151-M206 HydrophobicContact CB-CB 4.11Å; A151-M206 HydrophobicContact CB-CE 3.88Å; A151-L207 HydrophobicContact CB-CD1 4.43Å; A151-L207 HydrophobicContact CB-CD2 3.78Å; A151-L207 HydrophobicContact CB-CG 3.93Å; A151-F223 HydrophobicContact CB-CB 4.47Å; A151-F223 HydrophobicContact CB-CD1 3.86Å; A151-F223 HydrophobicContact CB-CD2 3.94Å; A151-F223 HydrophobicContact CB-CE1 4.03Å; A151-F223 HydrophobicContact CB-CE2 4.13Å; A151-F223 HydrophobicContact CB-CG 3.84Å; A151-F223 HydrophobicContact CB-CZ 4.18Å; A151-I225 HydrophobicContact CB-CD1 4.12Å |
| 152 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.1 | -30.4 | -179.2 | -67 | 0 | 0 | 0 | 0 | 112.2 | T119 T122 V123 L126 L145 S146 F149 S150 W156 M206 F223 | T119-V152 HydrophobicContact CG2-CG2 4.43Å; T119-V152 WeakPolarHBondContact CG2-O 3.37Å; T122-V152 HydrophobicContact CG2-CB 4.46Å; V123-V152 HydrophobicContact CG2-CB 4.29Å; V123-V152 HydrophobicContact CG2-CG1 3.92Å; V123-V152 HydrophobicContact CG2-CG2 4.28Å; L126-V152 HydrophobicContact CD1-CG1 3.77Å; L145-V152 HydrophobicContact CD1-CG1 4.24Å; S146-V152 WeakPolarHBondContact O-CG2 3.44Å; F149-V152 VanDerWaalsContact O-CG2 3.28Å; F149-V152 WeakPolarHBondContact O-CG2 3.44Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 2.91Å; V152-W156 VanDerWaalsContact O-CB 3.31Å; V152-W156 WeakPolarHBondContact O-CB 3.39Å; V152-W156 PolarHBondContact O-N 2.95Å; V152-M206 HydrophobicContact CG1-CE 3.76Å; V152-M206 HydrophobicContact CG2-CE 4.46Å; V152-F223 HydrophobicContact CG1-CD1 4.5Å; V152-F223 HydrophobicContact CG1-CE1 4.06Å |
| 153 | K | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 172.7 | -64 | 172.7 | 162.3 | 70.6 | 0 | 111.1 | V112 V113 W114 T119 T147 Y148 S150 A151 W156 M157 | V112-K153 HydrophobicContact CB-CB 4.31Å; V112-K153 HydrophobicContact CB-CD 4.21Å; V112-K153 HydrophobicContact CB-CG 4.39Å; V112-K153 HydrophobicContact CG1-CB 4.22Å; V112-K153 HydrophobicContact CG1-CD 3.88Å; V112-K153 HydrophobicContact CG1-CG 3.86Å; V113-K153 WeakPolarHBondContact O-CE 3.46Å; W114-K153 PolarHBondContact O-NZ 3.21Å; T119-K153 HydrophobicContact CG2-CG 4.13Å; T147-K153 PolarHBondContact O-NZ 3.23Å; Y148-K153 PolarHBondContact O-NZ 3.28Å; S150-K153 WeakPolarHBondContact O-CB 3.11Å; S150-K153 PolarHBondContact O-N 2.79Å; S150-K153 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-K153 PolarHBondContact O-N 3.06Å; K153-W156 PolarHBondContact O-N 3.47Å; K153-M157 WeakPolarHBondContact O-CG 3.48Å; K153-M157 PolarHBondContact O-N 2.76Å |
| 154 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 175.8 | -179 | 57.5 | 0 | 0 | 0 | 111.2 | T97 I99 S150 A151 W156 M157 L158 F175 I225 | T97-L154 HydrophobicContact CG2-CB 4.43Å; I99-L154 HydrophobicContact CD1-CD1 4.14Å; S150-L154 PolarHBondContact O-N 2.98Å; A151-L154 PolarHBondContact O-N 3.25Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.29Å; L154-M157 HydrophobicContact CD1-CE 4.08Å; L154-M157 PolarHBondContact O-N 2.91Å; L154-M157 VanDerWaalsContact O-N 3.17Å; L154-L158 HydrophobicContact CG-CD1 4.36Å; L154-L158 WeakPolarHBondContact O-CG 3.06Å; L154-L158 PolarHBondContact O-N 3Å; L154-F175 HydrophobicContact CB-CD2 4.37Å; L154-F175 HydrophobicContact CB-CE2 4.32Å; L154-F175 HydrophobicContact CD1-CB 4.5Å; L154-F175 HydrophobicContact CD1-CD2 4.02Å; L154-F175 HydrophobicContact CD2-CB 4.13Å; L154-F175 HydrophobicContact CD2-CD1 4.32Å; L154-F175 HydrophobicContact CD2-CD2 3.64Å; L154-F175 HydrophobicContact CD2-CE2 4.06Å; L154-F175 HydrophobicContact CD2-CG 3.76Å; L154-F175 HydrophobicContact CG-CD2 4.23Å; L154-I225 HydrophobicContact CB-CD1 4.19Å; L154-I225 HydrophobicContact CD2-CD1 3.9Å; L154-I225 HydrophobicContact CD2-CG1 4.05Å; L154-I225 HydrophobicContact CD2-CG2 3.67Å; L154-I225 HydrophobicContact CG-CD1 4.17Å; L154-I225 HydrophobicContact CG-CG1 4.29Å |
| 155 | R | 98.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 174.5 | -176.9 | 62.4 | -100.2 | 163.4 | -5.4 | 111.5 | T122 A151 M157 L158 D159 F223 E224 | T122-R155 HydrophobicContact CG2-CB 4.29Å; T122-R155 HydrophobicContact CG2-CG 3.97Å; A151-R155 WeakPolarHBondContact O-CB 3.43Å; A151-R155 PolarHBondContact O-N 3.12Å; R155-M157 VanDerWaalsContact C-N 3.3Å; R155-M157 PolarHBondContact O-N 2.76Å; R155-L158 WeakPolarHBondContact O-CB 2.88Å; R155-L158 PolarHBondContact O-N 3.24Å; R155-L158 VanDerWaalsContact O-N 3.1Å; R155-D159 IonicContact CZ-OD1 3.24Å; R155-D159 VanDerWaalsContact CZ-OD1 3.26Å; R155-D159 IonicContact CZ-OD2 3.76Å; R155-D159 VanDerWaalsContact NE-CG 3.34Å; R155-D159 IonicContact NE-OD1 2.68Å; R155-D159 PolarHBondContact NE-OD1 3.33Å; R155-D159 VanDerWaalsContact NE-OD1 3.13Å; R155-D159 IonicContact NE-OD2 2.75Å; R155-D159 PolarHBondContact NE-OD2 2.97Å; R155-D159 IonicContact NH2-OD1 2.66Å; R155-D159 PolarHBondContact NH2-OD1 3.42Å; R155-D159 IonicContact NH2-OD2 2.75Å; R155-D159 PolarHBondContact O-N 3.02Å; R155-D159 VanDerWaalsContact O-OD2 3.12Å; R155-F223 WeakPolarHBondContact CD-O 3.48Å; R155-E224 VanDerWaalsContact NH1-CB 3.3Å; R155-E224 PolarHBondContact NH1-O 3.27Å |
| 156 | W | 98.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 177.6 | -179 | 92.2 | 0 | 0 | 0 | 112.4 | W52 Y109 R118 T119 V152 K153 L154 D159 N160 V161 | W52-W156 AromaticContact CH2-CH2 3.72Å; W52-W156 HydrophobicContact CH2-CH2 3.72Å; W52-W156 AromaticContact CH2-CZ2 3.37Å; W52-W156 HydrophobicContact CH2-CZ2 3.37Å; W52-W156 AromaticContact CZ2-CZ2 3.98Å; W52-W156 HydrophobicContact CZ2-CZ2 3.98Å; W52-W156 AromaticContact CZ3-CH2 3.85Å; W52-W156 HydrophobicContact CZ3-CH2 3.85Å; W52-W156 AromaticContact CZ3-CZ2 3.99Å; W52-W156 HydrophobicContact CZ3-CZ2 3.99Å; Y109-W156 HydrophobicContact CE1-CZ3 4.25Å; R118-W156 HydrophobicContact CG-CD2 4.06Å; R118-W156 HydrophobicContact CG-CG 4.21Å; T119-W156 HydrophobicContact CG2-CB 3.82Å; T119-W156 HydrophobicContact CG2-CG 4.18Å; V152-W156 VanDerWaalsContact O-CB 3.31Å; V152-W156 WeakPolarHBondContact O-CB 3.39Å; V152-W156 PolarHBondContact O-N 2.95Å; K153-W156 PolarHBondContact O-N 3.47Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.29Å; W156-D159 PolarHBondContact O-N 3.4Å; W156-N160 HydrophobicContact CD2-CB 4.26Å; W156-N160 HydrophobicContact CH2-CB 4.06Å; W156-N160 HydrophobicContact CZ2-CB 3.77Å; W156-N160 HydrophobicContact CZ3-CB 4.43Å; W156-N160 PolarHBondContact NE1-ND2 3.32Å; W156-N160 WeakPolarHBondContact O-CB 3.27Å; W156-N160 PolarHBondContact O-N 2.86Å; W156-N160 PolarHBondContact O-ND2 3.08Å; W156-V161 HydrophobicContact CH2-CG2 4.35Å; W156-V161 HydrophobicContact CZ3-CG2 3.9Å |
| 157 | M | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 176.7 | -71.4 | -170.6 | -67 | 0 | 0 | 112.3 | T97 I99 Y109 V112 K153 L154 R155 D159 N160 V161 V164 | T97-M157 HydrophobicContact CG2-CE 3.37Å; I99-M157 HydrophobicContact CB-CE 4.25Å; I99-M157 HydrophobicContact CG2-CE 3.87Å; I99-M157 HydrophobicContact CG2-SD 3.87Å; Y109-M157 HydrophobicContact CD1-CG 4.47Å; Y109-M157 HydrophobicContact CD1-SD 4.02Å; Y109-M157 HydrophobicContact CG-SD 4.41Å; V112-M157 HydrophobicContact CG2-CG 4.38Å; V112-M157 HydrophobicContact CG2-SD 4.13Å; K153-M157 WeakPolarHBondContact O-CG 3.48Å; K153-M157 PolarHBondContact O-N 2.76Å; L154-M157 HydrophobicContact CD1-CE 4.08Å; L154-M157 PolarHBondContact O-N 2.91Å; L154-M157 VanDerWaalsContact O-N 3.17Å; R155-M157 VanDerWaalsContact C-N 3.3Å; R155-M157 PolarHBondContact O-N 2.76Å; M157-D159 PolarHBondContact O-N 2.84Å; M157-N160 PolarHBondContact O-N 3.43Å; M157-V161 HydrophobicContact CB-CG2 4.33Å; M157-V161 HydrophobicContact CG-CG2 4.43Å; M157-V161 WeakPolarHBondContact O-CA 3.38Å; M157-V161 WeakPolarHBondContact O-CB 3.4Å; M157-V161 PolarHBondContact O-N 2.98Å; M157-V164 HydrophobicContact CB-CG1 4.23Å |
| 158 | L | 97.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -34.4 | 175.4 | -66.3 | 171.3 | 0 | 0 | 0 | 112.1 | L154 R155 V164 V168 I225 | L154-L158 HydrophobicContact CG-CD1 4.36Å; L154-L158 WeakPolarHBondContact O-CG 3.06Å; L154-L158 PolarHBondContact O-N 3Å; R155-L158 WeakPolarHBondContact O-CB 2.88Å; R155-L158 PolarHBondContact O-N 3.24Å; R155-L158 VanDerWaalsContact O-N 3.1Å; L158-V164 HydrophobicContact CD2-CG1 3.94Å; L158-V168 HydrophobicContact CD2-CB 4.2Å; L158-V168 HydrophobicContact CD2-CG1 4.3Å; L158-V168 HydrophobicContact CD2-CG2 3.46Å; L158-V168 VanDerWaalsContact CD2-CG2 3.46Å; L158-I225 HydrophobicContact CD1-CG1 4.27Å |
| 159 | D | 97.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 44.3 Ų | 44.3 | 47% | 0.465 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80.9 | -33.6 | -179.8 | -65.9 | -33.3 | 0 | 0 | 0 | 113.7 | R155 W156 M157 | R155-D159 IonicContact CZ-OD1 3.24Å; R155-D159 VanDerWaalsContact CZ-OD1 3.26Å; R155-D159 IonicContact CZ-OD2 3.76Å; R155-D159 VanDerWaalsContact NE-CG 3.34Å; R155-D159 IonicContact NE-OD1 2.68Å; R155-D159 PolarHBondContact NE-OD1 3.33Å; R155-D159 VanDerWaalsContact NE-OD1 3.13Å; R155-D159 IonicContact NE-OD2 2.75Å; R155-D159 PolarHBondContact NE-OD2 2.97Å; R155-D159 IonicContact NH2-OD1 2.66Å; R155-D159 PolarHBondContact NH2-OD1 3.42Å; R155-D159 IonicContact NH2-OD2 2.75Å; R155-D159 PolarHBondContact O-N 3.02Å; R155-D159 VanDerWaalsContact O-OD2 3.12Å; W156-D159 PolarHBondContact O-N 3.4Å; M157-D159 PolarHBondContact O-N 2.84Å |
| 160 | N | 97.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 49 Ų | 49 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -110.8 | -16.7 | -166.7 | -68 | -91.4 | 0 | 0 | 0 | 113.8 | W156 M157 | W156-N160 HydrophobicContact CD2-CB 4.26Å; W156-N160 HydrophobicContact CH2-CB 4.06Å; W156-N160 HydrophobicContact CZ2-CB 3.77Å; W156-N160 HydrophobicContact CZ3-CB 4.43Å; W156-N160 PolarHBondContact NE1-ND2 3.32Å; W156-N160 WeakPolarHBondContact O-CB 3.27Å; W156-N160 PolarHBondContact O-N 2.86Å; W156-N160 PolarHBondContact O-ND2 3.08Å; M157-N160 PolarHBondContact O-N 3.43Å |
| 161 | V | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | trans | -117.1 | 95.8 | -168.7 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | Y109 W156 M157 H163 V164 Q165 | Y109-V161 HydrophobicContact CD2-CB 4.48Å; Y109-V161 HydrophobicContact CD2-CG1 3.72Å; Y109-V161 HydrophobicContact CD2-CG2 3.86Å; Y109-V161 HydrophobicContact CE2-CG1 4.46Å; Y109-V161 HydrophobicContact CE2-CG2 4.03Å; Y109-V161 HydrophobicContact CG-CG1 4.28Å; Y109-V161 HydrophobicContact CG-CG2 4.26Å; W156-V161 HydrophobicContact CH2-CG2 4.35Å; W156-V161 HydrophobicContact CZ3-CG2 3.9Å; M157-V161 HydrophobicContact CB-CG2 4.33Å; M157-V161 HydrophobicContact CG-CG2 4.43Å; M157-V161 WeakPolarHBondContact O-CA 3.38Å; M157-V161 WeakPolarHBondContact O-CB 3.4Å; M157-V161 PolarHBondContact O-N 2.98Å; V161-H163 VanDerWaalsContact C-N 3.3Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.46Å; V161-H163 WeakPolarHBondContact CG1-NE2 3.24Å; V161-H163 PolarHBondContact O-N 3.13Å; V161-H163 VanDerWaalsContact O-N 3.15Å; V161-V164 HydrophobicContact CB-CB 4.01Å; V161-V164 HydrophobicContact CB-CG2 3.94Å; V161-V164 HydrophobicContact CG1-CB 4.03Å; V161-V164 HydrophobicContact CG1-CG2 3.59Å; V161-V164 WeakPolarHBondContact O-CA 3.06Å; V161-V164 VanDerWaalsContact O-CB 3.32Å; V161-V164 WeakPolarHBondContact O-CB 3.14Å; V161-V164 PolarHBondContact O-N 2.76Å; V161-Q165 PolarHBondContact O-N 2.97Å | ||
| 162 | R | 97.2 | Very high | 97.6 | Very high | 212 Ų | 212 | 53.2 Ų | 53.2 | 80% | 0.8 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -55.6 | -37.4 | -171.2 | -172.7 | 176.7 | -178.7 | -179.5 | 1.6 | 114.8 | K166 | R162-K166 WeakPolarHBondContact O-CB 3.05Å; R162-K166 PolarHBondContact O-N 3.23Å |
| 163 | H | 95.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.7 | -30.1 | 179.6 | 53.1 | -97 | 0 | 0 | 0 | 112.2 | L108 V161 A167 | L108-H163 PolarHBondContact O-CD2 3.21Å; L108-H163 PolarHBondContact O-NE2 2.87Å; V161-H163 VanDerWaalsContact C-N 3.3Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.46Å; V161-H163 WeakPolarHBondContact CG1-NE2 3.24Å; V161-H163 PolarHBondContact O-N 3.13Å; V161-H163 VanDerWaalsContact O-N 3.15Å; H163-A167 WeakPolarHBondContact O-CB 3.25Å; H163-A167 PolarHBondContact O-N 2.66Å |
| 164 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -51.6 | 170.1 | 164.6 | 0 | 0 | 0 | 0 | 109.4 | I99 L108 M157 L158 V161 K166 A167 V168 | I99-V164 HydrophobicContact CD1-CB 4.45Å; I99-V164 HydrophobicContact CD1-CG1 3.43Å; I99-V164 VanDerWaalsContact CD1-CG1 3.43Å; I99-V164 HydrophobicContact CG2-CG1 4.27Å; I99-V164 HydrophobicContact CG2-CG2 3.69Å; L108-V164 HydrophobicContact CB-CG2 3.75Å; M157-V164 HydrophobicContact CB-CG1 4.23Å; L158-V164 HydrophobicContact CD2-CG1 3.94Å; V161-V164 HydrophobicContact CB-CB 4.01Å; V161-V164 HydrophobicContact CB-CG2 3.94Å; V161-V164 HydrophobicContact CG1-CB 4.03Å; V161-V164 HydrophobicContact CG1-CG2 3.59Å; V161-V164 WeakPolarHBondContact O-CA 3.06Å; V161-V164 VanDerWaalsContact O-CB 3.32Å; V161-V164 WeakPolarHBondContact O-CB 3.14Å; V161-V164 PolarHBondContact O-N 2.76Å; V164-K166 PolarHBondContact O-N 2.72Å; V164-A167 PolarHBondContact O-N 2.91Å; V164-A167 VanDerWaalsContact O-N 3.16Å; V164-V168 HydrophobicContact CG1-CG2 4.45Å; V164-V168 WeakPolarHBondContact O-CG2 3.49Å; V164-V168 PolarHBondContact O-N 3.1Å |
| 165 | Q | 97.1 | Very high | 97.7 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.4 | -51.6 | 176.6 | -177 | -176 | 15.5 | 0 | 0 | 111.8 | V161 A167 V168 E169 | V161-Q165 PolarHBondContact O-N 2.97Å; Q165-A167 VanDerWaalsContact C-N 3.32Å; Q165-A167 PolarHBondContact O-N 2.93Å; Q165-V168 PolarHBondContact O-N 3.03Å; Q165-V168 VanDerWaalsContact O-N 3.13Å; Q165-E169 HydrophobicContact CG-CG 4.49Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.39Å; Q165-E169 PolarHBondContact NE2-OE1 3.39Å; Q165-E169 WeakPolarHBondContact O-CG 3.31Å; Q165-E169 PolarHBondContact O-N 2.82Å |
| 166 | K | 97.7 | Very high | 97.7 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 179.4 | -176.4 | 176.7 | 176.2 | -178.2 | 0 | 112.5 | R162 V164 V168 E169 E170 | R162-K166 WeakPolarHBondContact O-CB 3.05Å; R162-K166 PolarHBondContact O-N 3.23Å; V164-K166 PolarHBondContact O-N 2.72Å; K166-V168 VanDerWaalsContact C-N 3.33Å; K166-E169 PolarHBondContact O-N 2.94Å; K166-E170 WeakPolarHBondContact CE-OE1 3.47Å; K166-E170 WeakPolarHBondContact CG-OE1 3.41Å; K166-E170 IonicContact NZ-OE1 3.65Å; K166-E170 WeakPolarHBondContact O-CB 3.38Å; K166-E170 VanDerWaalsContact O-CG 3.31Å; K166-E170 WeakPolarHBondContact O-CG 3.34Å; K166-E170 PolarHBondContact O-N 2.95Å |
| 167 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -32.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L108 H163 V164 Q165 G171 R172 A173 | L108-A167 HydrophobicContact CD1-CB 3.54Å; L108-A167 HydrophobicContact CD2-CB 4.03Å; L108-A167 HydrophobicContact CG-CB 4.46Å; H163-A167 WeakPolarHBondContact O-CB 3.25Å; H163-A167 PolarHBondContact O-N 2.66Å; V164-A167 PolarHBondContact O-N 2.91Å; V164-A167 VanDerWaalsContact O-N 3.16Å; Q165-A167 VanDerWaalsContact C-N 3.32Å; Q165-A167 PolarHBondContact O-N 2.93Å; A167-G171 PolarHBondContact O-N 2.95Å; A167-R172 PolarHBondContact O-N 3.29Å; A167-A173 HydrophobicContact CB-CB 4.01Å; A167-A173 PolarHBondContact O-N 2.96Å; A167-A173 VanDerWaalsContact O-N 3.14Å |
| 168 | V | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -46.6 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | I99 L158 V164 Q165 K166 E170 G171 A173 P226 L229 | I99-V168 HydrophobicContact CD1-CG2 4.2Å; L158-V168 HydrophobicContact CD2-CB 4.2Å; L158-V168 HydrophobicContact CD2-CG1 4.3Å; L158-V168 HydrophobicContact CD2-CG2 3.46Å; L158-V168 VanDerWaalsContact CD2-CG2 3.46Å; V164-V168 HydrophobicContact CG1-CG2 4.45Å; V164-V168 WeakPolarHBondContact O-CG2 3.49Å; V164-V168 PolarHBondContact O-N 3.1Å; Q165-V168 PolarHBondContact O-N 3.03Å; Q165-V168 VanDerWaalsContact O-N 3.13Å; K166-V168 VanDerWaalsContact C-N 3.33Å; V168-E170 VanDerWaalsContact C-N 3.26Å; V168-E170 PolarHBondContact O-N 3.49Å; V168-G171 PolarHBondContact O-N 2.83Å; V168-A173 HydrophobicContact CG2-CB 3.75Å; V168-P226 HydrophobicContact CG1-CG 3.99Å; V168-L229 HydrophobicContact CG1-CD1 4.1Å; V168-L229 HydrophobicContact CG1-CD2 4.33Å; V168-L229 HydrophobicContact CG2-CD1 4.28Å; V168-L229 HydrophobicContact CG2-CD2 3.89Å |
| 169 | E | 97 | Very high | 97.8 | Very high | 138 Ų | 138 | 51.4 Ų | 51.4 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.6 | -35.8 | 176.7 | -71.9 | 171 | -177.6 | 0 | 0 | 112.4 | Q165 K166 G171 | Q165-E169 HydrophobicContact CG-CG 4.49Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.39Å; Q165-E169 PolarHBondContact NE2-OE1 3.39Å; Q165-E169 WeakPolarHBondContact O-CG 3.31Å; Q165-E169 PolarHBondContact O-N 2.82Å; K166-E169 PolarHBondContact O-N 2.94Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.3Å |
| 170 | E | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.4 | 176.3 | -68.1 | 174.8 | -175.5 | 0 | 0 | 113.5 | K166 V168 R172 | K166-E170 WeakPolarHBondContact CE-OE1 3.47Å; K166-E170 WeakPolarHBondContact CG-OE1 3.41Å; K166-E170 IonicContact NZ-OE1 3.65Å; K166-E170 WeakPolarHBondContact O-CB 3.38Å; K166-E170 VanDerWaalsContact O-CG 3.31Å; K166-E170 WeakPolarHBondContact O-CG 3.34Å; K166-E170 PolarHBondContact O-N 2.95Å; V168-E170 VanDerWaalsContact C-N 3.26Å; V168-E170 PolarHBondContact O-N 3.49Å; E170-R172 HydrophobicContact CB-CG 4.18Å; E170-R172 PolarHBondContact O-N 3.24Å; E170-R172 IonicContact OE2-CZ 3.88Å; E170-R172 IonicContact OE2-NE 3.3Å; E170-R172 PolarHBondContact OE2-NE 3.43Å; E170-R172 IonicContact OE2-NH2 3.72Å; E170-R172 PolarHBondContact OE2-NH2 2.72Å |
| 171 | G | 97.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 25.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K102 A167 V168 E169 | K102-G171 WeakPolarHBondContact CE-O 3.16Å; K102-G171 PolarHBondContact NZ-O 3.41Å; A167-G171 PolarHBondContact O-N 2.95Å; V168-G171 PolarHBondContact O-N 2.83Å; E169-G171 VanDerWaalsContact C-N 3.28Å; E169-G171 PolarHBondContact O-N 3.3Å |
| 172 | R | 97.4 | Very high | 98 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 18% | 0.177 | 20% | 0.2 | C | C | . | . | trans | -99.6 | -20.7 | -178.7 | -66.1 | -170.9 | -68.2 | 90.3 | 4 | 113.9 | D101 K102 L103 A167 E170 | D101-R172 IonicContact OD1-NH1 2.7Å; D101-R172 IonicContact OD2-CZ 2.82Å; D101-R172 IonicContact OD2-NH1 2.61Å; D101-R172 PolarHBondContact OD2-NH1 3.39Å; K102-R172 VanDerWaalsContact CG-O 3.32Å; K102-R172 WeakPolarHBondContact CG-O 3.43Å; K102-R172 PolarHBondContact N-O 2.97Å; L103-R172 HydrophobicContact CD1-CG 3.82Å; L103-R172 HydrophobicContact CG-CG 4.24Å; A167-R172 PolarHBondContact O-N 3.29Å; E170-R172 HydrophobicContact CB-CG 4.18Å; E170-R172 PolarHBondContact O-N 3.24Å; E170-R172 IonicContact OE2-CZ 3.88Å; E170-R172 IonicContact OE2-NE 3.3Å; E170-R172 PolarHBondContact OE2-NE 3.43Å; E170-R172 IonicContact OE2-NH2 3.72Å; E170-R172 PolarHBondContact OE2-NH2 2.72Å | ||
| 173 | A | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 147.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I99 W100 L108 A167 V168 L229 | I99-A173 HydrophobicContact CD1-CB 4Å; I99-A173 HydrophobicContact CG1-CB 4.25Å; W100-A173 CarbonylContact O-C 3.54Å; W100-A173 WeakPolarHBondContact O-CA 3.48Å; L108-A173 HydrophobicContact CD1-CB 4.06Å; A167-A173 HydrophobicContact CB-CB 4.01Å; A167-A173 PolarHBondContact O-N 2.96Å; A167-A173 VanDerWaalsContact O-N 3.14Å; V168-A173 HydrophobicContact CG2-CB 3.75Å; A173-L229 HydrophobicContact CB-CD2 3.59Å; A173-L229 WeakPolarHBondContact O-CD2 3.19Å |
| 174 | L | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.2 | 165 | -61.7 | 176.3 | 0 | 0 | 0 | 108.8 | I99 W100 K102 H195 | I99-L174 VanDerWaalsContact CA-O 3.31Å; I99-L174 WeakPolarHBondContact CA-O 3.41Å; I99-L174 WeakPolarHBondContact CG1-O 3.37Å; W100-L174 HydrophobicContact CD2-CB 4.05Å; W100-L174 HydrophobicContact CH2-CB 4.22Å; W100-L174 HydrophobicContact CZ2-CB 3.7Å; W100-L174 HydrophobicContact CZ2-CD1 4.02Å; W100-L174 PolarHBondContact N-O 2.61Å; W100-L174 PolarHBondContact O-N 2.81Å; K102-L174 HydrophobicContact CB-CD1 3.53Å; K102-L174 HydrophobicContact CB-CD2 4.43Å; K102-L174 HydrophobicContact CB-CG 3.77Å; K102-L174 HydrophobicContact CD-CD2 4.17Å; K102-L174 HydrophobicContact CD-CG 4.37Å; L174-H195 HydrophobicContact CD1-CB 4.37Å |
| 175 | F | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 150.9 | 173.7 | 155.7 | -94.2 | 0 | 0 | 0 | 110.6 | T97 L154 H195 T205 L229 L230 P231 | T97-F175 HydrophobicContact CG2-CD2 3.74Å; T97-F175 HydrophobicContact CG2-CE2 3.48Å; T97-F175 VanDerWaalsContact CG2-CE2 3.48Å; L154-F175 HydrophobicContact CB-CD2 4.37Å; L154-F175 HydrophobicContact CB-CE2 4.32Å; L154-F175 HydrophobicContact CD1-CB 4.5Å; L154-F175 HydrophobicContact CD1-CD2 4.02Å; L154-F175 HydrophobicContact CD2-CB 4.13Å; L154-F175 HydrophobicContact CD2-CD1 4.32Å; L154-F175 HydrophobicContact CD2-CD2 3.64Å; L154-F175 HydrophobicContact CD2-CE2 4.06Å; L154-F175 HydrophobicContact CD2-CG 3.76Å; L154-F175 HydrophobicContact CG-CD2 4.23Å; F175-H195 PolarHBondContact O-NE2 3.49Å; F175-T205 HydrophobicContact CE1-CG2 4.42Å; F175-T205 HydrophobicContact CZ-CG2 4.23Å; F175-L229 HydrophobicContact CB-CB 4.2Å; F175-L229 PolarHBondContact N-O 2.78Å; F175-L230 HydrophobicContact CD1-CD2 3.55Å; F175-L230 HydrophobicContact CE1-CD2 3.89Å; F175-L230 HydrophobicContact CG-CD2 4.49Å; F175-P231 WeakPolarHBondContact O-CD 3.29Å |
| 176 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 157.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V98 | V98-G176 PolarHBondContact N-O 3.23Å; V98-G176 PolarHBondContact O-N 3.45Å |
| 177 | T | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 172.2 | 153.3 | 43.1 | 0 | 0 | 0 | 0 | 109.8 | T96 D179 S180 W181 T205 | T96-T177 WeakPolarHBondContact O-CA 3.45Å; T177-D179 VanDerWaalsContact C-N 3.28Å; T177-D179 WeakPolarHBondContact CB-OD1 3.39Å; T177-D179 PolarHBondContact O-N 3.32Å; T177-D179 PolarHBondContact OG1-OD1 3.07Å; T177-S180 PolarHBondContact O-N 2.8Å; T177-W181 PolarHBondContact O-N 3.31Å; T177-T205 HydrophobicContact CG2-CG2 4.4Å |
| 178 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.3 | -39.3 | -174.5 | -63.3 | -63 | 0 | 0 | 0 | 113.2 | Q18 I60 N92 Q93 T96 V98 S180 W181 L182 | Q18-I178 HydrophobicContact CB-CG2 4.03Å; Q18-I178 HydrophobicContact CG-CG2 3.72Å; I60-I178 HydrophobicContact CD1-CD1 3.9Å; I60-I178 HydrophobicContact CG2-CG2 4.47Å; N92-I178 HydrophobicContact CB-CB 3.87Å; N92-I178 HydrophobicContact CB-CG2 3.86Å; Q93-I178 HydrophobicContact CG-CG1 4.05Å; T96-I178 HydrophobicContact CG2-CD1 3.78Å; T96-I178 HydrophobicContact CG2-CG1 3.93Å; V98-I178 HydrophobicContact CG2-CD1 3.74Å; I178-S180 VanDerWaalsContact C-N 3.31Å; I178-S180 PolarHBondContact O-N 3Å; I178-W181 PolarHBondContact O-N 2.84Å; I178-L182 HydrophobicContact CG2-CD1 3.85Å; I178-L182 HydrophobicContact CG2-CG 4.01Å; I178-L182 VanDerWaalsContact O-CG 3.3Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 2.75Å |
| 179 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.1 | -44.6 | 175.2 | 56 | -52.4 | 0 | 0 | 0 | 112.6 | I90 N92 T177 L182 I183 T197 N201 C256 | I90-D179 HydrophobicContact CG2-CB 4.25Å; N92-D179 WeakPolarHBondContact OD1-CB 3.16Å; T177-D179 VanDerWaalsContact C-N 3.28Å; T177-D179 WeakPolarHBondContact CB-OD1 3.39Å; T177-D179 PolarHBondContact O-N 3.32Å; T177-D179 PolarHBondContact OG1-OD1 3.07Å; D179-L182 PolarHBondContact O-N 3.44Å; D179-I183 WeakPolarHBondContact O-CB 3.17Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 3.06Å; D179-T197 WeakPolarHBondContact OD2-CA 3.46Å; D179-T197 WeakPolarHBondContact OD2-CB 3.5Å; D179-T197 PolarHBondContact OD2-OG1 3.2Å; D179-N201 VanDerWaalsContact CG-CG 3.49Å; D179-N201 VanDerWaalsContact CG-ND2 3.33Å; D179-N201 VanDerWaalsContact OD1-CG 3.25Å; D179-C256 WeakPolarHBondContact CB-SG 3.29Å |
| 180 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 112 | T177 I178 W184 H195 C196 | T177-S180 PolarHBondContact O-N 2.8Å; I178-S180 VanDerWaalsContact C-N 3.31Å; I178-S180 PolarHBondContact O-N 3Å; S180-W184 WeakPolarHBondContact O-CB 3.46Å; S180-W184 PolarHBondContact O-N 2.88Å; S180-H195 PolarHBondContact OG-CD2 2.65Å; S180-C196 WeakPolarHBondContact CA-O 3.35Å; S180-C196 WeakPolarHBondContact CB-O 3.22Å; S180-C196 PolarHBondContact OG-O 2.93Å |
| 181 | W | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 171.9 | 172.7 | -121 | 0 | 0 | 0 | 111.4 | P57 L61 V98 W100 G105 P107 T177 I178 W184 S185 | P57-W181 HydrophobicContact CB-CZ2 4.27Å; P57-W181 PolarHBondContact O-NE1 3.16Å; L61-W181 HydrophobicContact CD2-CZ2 4.17Å; V98-W181 HydrophobicContact CB-CB 4.45Å; V98-W181 HydrophobicContact CG1-CD2 4.32Å; V98-W181 HydrophobicContact CG1-CE3 4.5Å; V98-W181 HydrophobicContact CG1-CG 4.34Å; V98-W181 HydrophobicContact CG2-CB 4.4Å; W100-W181 HydrophobicContact CB-CE3 4.35Å; W100-W181 HydrophobicContact CB-CZ3 3.8Å; W100-W181 AromaticContact CD1-CZ3 3.77Å; W100-W181 AromaticContact CD2-CE3 3.63Å; W100-W181 HydrophobicContact CD2-CE3 3.63Å; W100-W181 AromaticContact CD2-CZ3 3.82Å; W100-W181 HydrophobicContact CD2-CZ3 3.82Å; W100-W181 AromaticContact CE2-CE3 3.97Å; W100-W181 AromaticContact CE3-CE3 3.82Å; W100-W181 HydrophobicContact CE3-CE3 3.82Å; W100-W181 HydrophobicContact CE3-CZ3 4.4Å; W100-W181 AromaticContact CG-CE3 3.88Å; W100-W181 HydrophobicContact CG-CE3 3.88Å; W100-W181 AromaticContact CG-CZ3 3.53Å; W100-W181 HydrophobicContact CG-CZ3 3.53Å; W100-W181 HydrophobicContact CZ2-CE3 4.49Å; W100-W181 HydrophobicContact CZ3-CB 4.41Å; W100-W181 HydrophobicContact CZ3-CE3 4.33Å; G105-W181 WeakPolarHBondContact O-CH2 3.45Å; P107-W181 HydrophobicContact CG-CH2 4.02Å; P107-W181 HydrophobicContact CG-CZ2 4.07Å; T177-W181 PolarHBondContact O-N 3.31Å; I178-W181 PolarHBondContact O-N 2.84Å; W181-W184 HydrophobicContact CE3-CE3 4.14Å; W181-W184 HydrophobicContact CH2-CZ3 4.34Å; W181-W184 AromaticContact CZ3-CE3 3.8Å; W181-W184 HydrophobicContact CZ3-CE3 3.8Å; W181-W184 AromaticContact CZ3-CZ3 3.8Å; W181-W184 HydrophobicContact CZ3-CZ3 3.8Å; W181-W184 PolarHBondContact O-N 2.74Å; W181-S185 WeakPolarHBondContact O-CB 3.43Å; W181-S185 PolarHBondContact O-N 3.11Å; W181-S185 PolarHBondContact O-OG 2.92Å |
| 182 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | -179 | -67.1 | -178.4 | 0 | 0 | 0 | 112.5 | V16 Q18 I60 L61 V64 I90 I178 D179 W184 S185 L186 | V16-L182 HydrophobicContact CG1-CD1 4.35Å; Q18-L182 HydrophobicContact CB-CD1 3.9Å; Q18-L182 HydrophobicContact CG-CD1 4.18Å; I60-L182 HydrophobicContact CG2-CD2 4.27Å; L61-L182 HydrophobicContact CD1-CD2 4.16Å; V64-L182 HydrophobicContact CG2-CD1 4.17Å; V64-L182 HydrophobicContact CG2-CD2 3.78Å; I90-L182 HydrophobicContact CD1-CB 4.26Å; I90-L182 HydrophobicContact CG2-CD1 4.18Å; I178-L182 HydrophobicContact CG2-CD1 3.85Å; I178-L182 HydrophobicContact CG2-CG 4.01Å; I178-L182 VanDerWaalsContact O-CG 3.3Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 2.75Å; D179-L182 PolarHBondContact O-N 3.44Å; L182-W184 VanDerWaalsContact C-N 3.35Å; L182-S185 PolarHBondContact O-N 3.38Å; L182-L186 HydrophobicContact CB-CD1 4.5Å; L182-L186 VanDerWaalsContact O-CB 3.25Å; L182-L186 WeakPolarHBondContact O-CB 3.49Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.29Å |
| 183 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 178.5 | -65.3 | 163.8 | 0 | 0 | 0 | 109.5 | I90 D179 S185 L186 T187 V194 C196 Y240 I253 C256 | I90-I183 HydrophobicContact CD1-CG1 3.59Å; D179-I183 WeakPolarHBondContact O-CB 3.17Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 3.06Å; I183-S185 PolarHBondContact O-N 2.87Å; I183-L186 PolarHBondContact O-N 3.32Å; I183-T187 HydrophobicContact CG2-CG2 4.14Å; I183-T187 WeakPolarHBondContact O-CB 3.18Å; I183-T187 VanDerWaalsContact O-CG2 3.3Å; I183-T187 WeakPolarHBondContact O-CG2 3.3Å; I183-T187 PolarHBondContact O-N 2.89Å; I183-T187 PolarHBondContact O-OG1 2.95Å; I183-V194 HydrophobicContact CG2-CB 4.43Å; I183-C196 VanDerWaalsContact CG2-SG 3.5Å; I183-Y240 HydrophobicContact CD1-CD2 4.36Å; I183-I253 HydrophobicContact CG1-CG2 4.41Å; I183-C256 HydrophobicContact CD1-CB 4.38Å |
| 184 | W | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58 | -48.1 | 179.1 | -178.6 | 84.3 | 0 | 0 | 0 | 111.7 | W100 G105 S180 W181 L182 T187 G189 V190 G193 V194 | W100-W184 AromaticContact CD1-CZ3 3.98Å; W100-W184 HydrophobicContact CZ2-CB 4.03Å; W100-W184 HydrophobicContact CZ2-CD2 4.19Å; W100-W184 AromaticContact CZ2-CG 3.89Å; W100-W184 HydrophobicContact CZ2-CG 3.89Å; W100-W184 AromaticContact NE1-CD2 3.37Å; W100-W184 AromaticContact NE1-CE2 3.48Å; W100-W184 AromaticContact NE1-CE3 3.53Å; W100-W184 AromaticContact NE1-CG 3.96Å; W100-W184 AromaticContact NE1-CH2 3.98Å; W100-W184 AromaticContact NE1-CZ2 3.78Å; W100-W184 AromaticContact NE1-CZ3 3.85Å; G105-W184 VanDerWaalsContact CA-CH2 3.43Å; S180-W184 WeakPolarHBondContact O-CB 3.46Å; S180-W184 PolarHBondContact O-N 2.88Å; W181-W184 HydrophobicContact CE3-CE3 4.14Å; W181-W184 HydrophobicContact CH2-CZ3 4.34Å; W181-W184 AromaticContact CZ3-CE3 3.8Å; W181-W184 HydrophobicContact CZ3-CE3 3.8Å; W181-W184 AromaticContact CZ3-CZ3 3.8Å; W181-W184 HydrophobicContact CZ3-CZ3 3.8Å; W181-W184 PolarHBondContact O-N 2.74Å; L182-W184 VanDerWaalsContact C-N 3.35Å; W184-T187 PolarHBondContact O-OG1 3.03Å; W184-G189 VanDerWaalsContact CZ2-CA 3.45Å; W184-G189 WeakPolarHBondContact CZ2-O 3.44Å; W184-G189 WeakPolarHBondContact O-CA 3.24Å; W184-G189 PolarHBondContact O-N 2.51Å; W184-V190 HydrophobicContact CH2-CG1 3.96Å; W184-V190 HydrophobicContact CZ2-CG1 4.27Å; W184-G193 VanDerWaalsContact O-CA 3.3Å; W184-G193 WeakPolarHBondContact O-CA 3.43Å; W184-V194 VanDerWaalsContact CA-O 3.3Å; W184-V194 WeakPolarHBondContact CA-O 3.33Å; W184-V194 PolarHBondContact N-O 2.9Å |
| 185 | S | 98.7 | Very high | 98.3 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 8% | 0.077 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -48.1 | 179.7 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | W181 L182 I183 T187 G188 | W181-S185 WeakPolarHBondContact O-CB 3.43Å; W181-S185 PolarHBondContact O-N 3.11Å; W181-S185 PolarHBondContact O-OG 2.92Å; L182-S185 PolarHBondContact O-N 3.38Å; I183-S185 PolarHBondContact O-N 2.87Å; S185-T187 VanDerWaalsContact C-N 3.29Å; S185-T187 PolarHBondContact O-N 3.05Å; S185-G188 PolarHBondContact O-N 3.48Å |
| 186 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.1 | -28.4 | -175.8 | -68.7 | 171.1 | 0 | 0 | 0 | 112.8 | V64 Y65 I90 L182 I183 G188 I243 K244 I253 | V64-L186 HydrophobicContact CG1-CD1 4.41Å; V64-L186 HydrophobicContact CG1-CD2 4.42Å; Y65-L186 HydrophobicContact CD1-CD2 4.17Å; Y65-L186 HydrophobicContact CE1-CD2 3.5Å; I90-L186 HydrophobicContact CD1-CD1 4.13Å; L182-L186 HydrophobicContact CB-CD1 4.5Å; L182-L186 VanDerWaalsContact O-CB 3.25Å; L182-L186 WeakPolarHBondContact O-CB 3.49Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 3.29Å; I183-L186 PolarHBondContact O-N 3.32Å; L186-G188 VanDerWaalsContact C-N 3.33Å; L186-I243 WeakPolarHBondContact O-CA 3.33Å; L186-K244 PolarHBondContact O-N 3.35Å; L186-I253 HydrophobicContact CB-CD1 3.75Å; L186-I253 HydrophobicContact CD1-CD1 4.09Å |
| 187 | T | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.4 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 114 | I183 W184 S185 G193 V194 K244 I253 | I183-T187 HydrophobicContact CG2-CG2 4.14Å; I183-T187 WeakPolarHBondContact O-CB 3.18Å; I183-T187 VanDerWaalsContact O-CG2 3.3Å; I183-T187 WeakPolarHBondContact O-CG2 3.3Å; I183-T187 PolarHBondContact O-N 2.89Å; I183-T187 PolarHBondContact O-OG1 2.95Å; W184-T187 PolarHBondContact O-OG1 3.03Å; S185-T187 VanDerWaalsContact C-N 3.29Å; S185-T187 PolarHBondContact O-N 3.05Å; T187-G193 WeakPolarHBondContact OG1-CA 3.3Å; T187-V194 HydrophobicContact CG2-CG2 4.37Å; T187-V194 PolarHBondContact OG1-N 2.87Å; T187-K244 WeakPolarHBondContact O-CG 3.41Å; T187-I253 HydrophobicContact CG2-CD1 3.86Å |
| 188 | G | 97.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 129.5 | -5.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S185 L186 V190 N191 | S185-G188 PolarHBondContact O-N 3.48Å; L186-G188 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 2.59Å; G188-N191 WeakPolarHBondContact O-CA 3.33Å; G188-N191 WeakPolarHBondContact O-CB 3.41Å; G188-N191 PolarHBondContact O-N 3.48Å |
| 189 | G | 97.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 20 Ų | 20 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | 54.5 | -122.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W184 N191 G192 G193 | W184-G189 VanDerWaalsContact CZ2-CA 3.45Å; W184-G189 WeakPolarHBondContact CZ2-O 3.44Å; W184-G189 WeakPolarHBondContact O-CA 3.24Å; W184-G189 PolarHBondContact O-N 2.51Å; G189-N191 PolarHBondContact O-N 2.75Å; G189-N191 VanDerWaalsContact O-N 3.08Å; G189-G192 PolarHBondContact O-N 3.18Å; G189-G193 WeakPolarHBondContact O-CA 3.4Å; G189-G193 PolarHBondContact O-N 3.3Å |
| 190 | V | 97.9 | Very high | 98.3 | Very high | 68 Ų | 68 | 20 Ų | 20 | 41% | 0.412 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -60.4 | -19.1 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | L103 T104 G105 W184 G188 G192 | L103-V190 WeakPolarHBondContact O-CG1 3.29Å; T104-V190 VanDerWaalsContact C-CG1 3.43Å; G105-V190 VanDerWaalsContact N-CG1 3.29Å; W184-V190 HydrophobicContact CH2-CG1 3.96Å; W184-V190 HydrophobicContact CZ2-CG1 4.27Å; G188-V190 PolarHBondContact O-N 2.59Å; V190-G192 VanDerWaalsContact C-N 3.34Å; V190-G192 PolarHBondContact O-N 2.9Å |
| 191 | N | 96.9 | Very high | 98.3 | Very high | 139 Ų | 139 | 20 Ų | 20 | 74% | 0.743 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -97.1 | 41.6 | -179.1 | -54.7 | -59.1 | 0 | 0 | 0 | 112.3 | G188 G189 | G188-N191 WeakPolarHBondContact O-CA 3.33Å; G188-N191 WeakPolarHBondContact O-CB 3.41Å; G188-N191 PolarHBondContact O-N 3.48Å; G189-N191 PolarHBondContact O-N 2.75Å; G189-N191 VanDerWaalsContact O-N 3.08Å |
| 192 | G | 95.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 19.7 Ų | 19.7 | 63% | 0.629 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 27 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G189 V190 | G189-G192 PolarHBondContact O-N 3.18Å; V190-G192 VanDerWaalsContact C-N 3.34Å; V190-G192 PolarHBondContact O-N 2.9Å |
| 193 | G | 97.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | trans | -57.3 | 134.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | W184 T187 G189 H195 | W184-G193 VanDerWaalsContact O-CA 3.3Å; W184-G193 WeakPolarHBondContact O-CA 3.43Å; T187-G193 WeakPolarHBondContact OG1-CA 3.3Å; G189-G193 WeakPolarHBondContact O-CA 3.4Å; G189-G193 PolarHBondContact O-N 3.3Å; G193-H195 PolarHBondContact O-N 3.09Å | ||
| 194 | V | 98.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 19.8 Ų | 19.8 | 27% | 0.267 | 13% | 0.133 | S | C | . | . | trans | -80.7 | 114.6 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | I183 W184 T187 C196 | I183-V194 HydrophobicContact CG2-CB 4.43Å; W184-V194 VanDerWaalsContact CA-O 3.3Å; W184-V194 WeakPolarHBondContact CA-O 3.33Å; W184-V194 PolarHBondContact N-O 2.9Å; T187-V194 HydrophobicContact CG2-CG2 4.37Å; T187-V194 PolarHBondContact OG1-N 2.87Å; V194-C196 HydrophobicContact CG1-CB 4.11Å; V194-C196 PolarHBondContact O-N 2.95Å | ||
| 195 | H | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 13% | 0.125 | 13% | 0.131 | C | C | . | . | trans | -87.7 | 93.7 | 175.8 | -178.9 | -138.1 | 0 | 0 | 0 | 109.9 | W100 L174 F175 S180 G193 L229 L230 P231 N232 | W100-H195 AromaticContact CH2-CD2 3.81Å; W100-H195 AromaticContact CH2-NE2 3.94Å; W100-H195 AromaticContact CZ2-CD2 3.72Å; L174-H195 HydrophobicContact CD1-CB 4.37Å; F175-H195 PolarHBondContact O-NE2 3.49Å; S180-H195 PolarHBondContact OG-CD2 2.65Å; G193-H195 PolarHBondContact O-N 3.09Å; H195-L229 PolarHBondContact CE1-O 3.18Å; H195-L229 VanDerWaalsContact CE1-O 3.29Å; H195-L230 VanDerWaalsContact CE1-C 3.45Å; H195-P231 WeakPolarHBondContact CE1-CA 3.14Å; H195-P231 VanDerWaalsContact CE1-N 3.32Å; H195-N232 PolarHBondContact O-N 3.45Å; H195-N232 VanDerWaalsContact O-N 3.12Å | ||
| 196 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 160.9 | -177.5 | 66.3 | 0 | 0 | 0 | 0 | 113.4 | S180 I183 V194 N232 F234 | S180-C196 WeakPolarHBondContact CA-O 3.35Å; S180-C196 WeakPolarHBondContact CB-O 3.22Å; S180-C196 PolarHBondContact OG-O 2.93Å; I183-C196 VanDerWaalsContact CG2-SG 3.5Å; V194-C196 HydrophobicContact CG1-CB 4.11Å; V194-C196 PolarHBondContact O-N 2.95Å; C196-N232 CarbonylContact C-O 3.57Å; C196-N232 WeakPolarHBondContact CA-O 3.41Å; C196-N232 HydrophobicContact CB-CB 4.47Å; C196-N232 VanDerWaalsContact CB-O 3.32Å; C196-N232 WeakPolarHBondContact CB-O 3.33Å; C196-F234 HydrophobicContact CB-CD2 3.58Å; C196-F234 HydrophobicContact CB-CE2 3.62Å |
| 197 | T | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 166.6 | 172 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | D179 N201 A202 W215 P231 N232 V233 F234 | D179-T197 WeakPolarHBondContact OD2-CA 3.46Å; D179-T197 WeakPolarHBondContact OD2-CB 3.5Å; D179-T197 PolarHBondContact OD2-OG1 3.2Å; T197-N201 WeakPolarHBondContact OG1-CB 3.38Å; T197-A202 HydrophobicContact CG2-CB 3.99Å; T197-W215 HydrophobicContact CG2-CH2 4.5Å; T197-W215 HydrophobicContact CG2-CZ2 4.05Å; T197-P231 HydrophobicContact CG2-CB 4.23Å; T197-P231 HydrophobicContact CG2-CG 3.67Å; T197-N232 PolarHBondContact N-O 2.93Å; T197-V233 HydrophobicContact CG2-CB 4.49Å; T197-V233 HydrophobicContact CG2-CG1 4.46Å; T197-V233 HydrophobicContact CG2-CG2 3.91Å; T197-V233 WeakPolarHBondContact O-CA 3.43Å; T197-F234 PolarHBondContact O-N 3.01Å |
| 198 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 163.7 | 171.4 | 96.9 | -61.9 | 0 | 0 | 0 | 112.5 | T200 N201 A202 F234 S236 C256 | D198-T200 VanDerWaalsContact CG-N 3.33Å; D198-T200 PolarHBondContact O-N 2.79Å; D198-T200 PolarHBondContact OD1-N 2.72Å; D198-T200 PolarHBondContact OD1-OG1 3.18Å; D198-T200 VanDerWaalsContact OD2-CB 3.25Å; D198-T200 WeakPolarHBondContact OD2-CB 3.35Å; D198-T200 VanDerWaalsContact OD2-CG2 3.25Å; D198-T200 WeakPolarHBondContact OD2-CG2 3.41Å; D198-T200 PolarHBondContact OD2-N 3.3Å; D198-T200 PolarHBondContact OD2-OG1 3.14Å; D198-N201 PolarHBondContact O-N 3.46Å; D198-N201 WeakPolarHBondContact OD1-CB 3.43Å; D198-N201 PolarHBondContact OD1-N 2.97Å; D198-N201 PolarHBondContact OD1-ND2 2.82Å; D198-A202 WeakPolarHBondContact O-CB 3.31Å; D198-A202 PolarHBondContact O-N 3.43Å; D198-F234 WeakPolarHBondContact CA-O 3.39Å; D198-S236 PolarHBondContact OD2-OG 3.32Å; D198-C256 HydrophobicContact CB-CB 3.86Å; D198-C256 WeakPolarHBondContact CB-O 3.42Å |
| 199 | V | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -31.2 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | S203 F208 V233 F234 I304 K307 | V199-S203 WeakPolarHBondContact O-CB 3.4Å; V199-S203 PolarHBondContact O-N 2.97Å; V199-F208 HydrophobicContact CG1-CZ 4.18Å; V199-V233 HydrophobicContact CB-CG1 4.49Å; V199-V233 HydrophobicContact CG1-CG1 3.85Å; V199-F234 PolarHBondContact N-O 3.33Å; V199-I304 HydrophobicContact CB-CD1 4.13Å; V199-I304 HydrophobicContact CB-CG2 4.27Å; V199-I304 HydrophobicContact CG2-CG2 3.82Å; V199-K307 HydrophobicContact CG1-CD 4.42Å; V199-K307 HydrophobicContact CG2-CB 3.6Å |
| 200 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.7 | -48.9 | -178.9 | 69.9 | 0 | 0 | 0 | 0 | 110.4 | D198 S203 R204 L257 G258 C261 I304 A305 | D198-T200 VanDerWaalsContact CG-N 3.33Å; D198-T200 PolarHBondContact O-N 2.79Å; D198-T200 PolarHBondContact OD1-N 2.72Å; D198-T200 PolarHBondContact OD1-OG1 3.18Å; D198-T200 VanDerWaalsContact OD2-CB 3.25Å; D198-T200 WeakPolarHBondContact OD2-CB 3.35Å; D198-T200 VanDerWaalsContact OD2-CG2 3.25Å; D198-T200 WeakPolarHBondContact OD2-CG2 3.41Å; D198-T200 PolarHBondContact OD2-N 3.3Å; D198-T200 PolarHBondContact OD2-OG1 3.14Å; T200-S203 PolarHBondContact O-N 3.36Å; T200-S203 PolarHBondContact O-OG 2.87Å; T200-R204 WeakPolarHBondContact O-CG 3.5Å; T200-L257 HydrophobicContact CG2-CD2 4.43Å; T200-L257 WeakPolarHBondContact OG1-CA 3.25Å; T200-G258 PolarHBondContact OG1-N 3.34Å; T200-C261 HydrophobicContact CG2-CB 3.95Å; T200-I304 HydrophobicContact CG2-CG2 4.35Å; T200-A305 WeakPolarHBondContact CG2-O 3.35Å |
| 201 | N | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 174.8 | -79.7 | -67.4 | 0 | 0 | 0 | 112.3 | N92 D179 T197 D198 S203 R204 G258 | N92-N201 PolarHBondContact ND2-OD1 3.07Å; N92-N201 PolarHBondContact OD1-ND2 3.29Å; N92-N201 PolarHBondContact OD1-OD1 2.62Å; D179-N201 VanDerWaalsContact CG-CG 3.49Å; D179-N201 VanDerWaalsContact CG-ND2 3.33Å; D179-N201 VanDerWaalsContact OD1-CG 3.25Å; T197-N201 WeakPolarHBondContact OG1-CB 3.38Å; D198-N201 PolarHBondContact O-N 3.46Å; D198-N201 WeakPolarHBondContact OD1-CB 3.43Å; D198-N201 PolarHBondContact OD1-N 2.97Å; D198-N201 PolarHBondContact OD1-ND2 2.82Å; N201-S203 VanDerWaalsContact C-N 3.26Å; N201-S203 PolarHBondContact O-N 3.47Å; N201-R204 WeakPolarHBondContact O-CB 3.44Å; N201-R204 PolarHBondContact O-N 2.71Å; N201-G258 PolarHBondContact ND2-N 3.18Å |
| 202 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.4 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T197 D198 R204 T205 F208 W215 V233 | T197-A202 HydrophobicContact CG2-CB 3.99Å; D198-A202 WeakPolarHBondContact O-CB 3.31Å; D198-A202 PolarHBondContact O-N 3.43Å; A202-R204 PolarHBondContact O-N 3.14Å; A202-T205 WeakPolarHBondContact O-CB 3.5Å; A202-T205 WeakPolarHBondContact O-CG2 3.38Å; A202-T205 PolarHBondContact O-N 2.84Å; A202-T205 VanDerWaalsContact O-N 3.13Å; A202-T205 PolarHBondContact O-OG1 2.87Å; A202-F208 HydrophobicContact CB-CB 4.12Å; A202-F208 HydrophobicContact CB-CD1 4.05Å; A202-F208 HydrophobicContact CB-CD2 3.74Å; A202-F208 HydrophobicContact CB-CE1 4.34Å; A202-F208 HydrophobicContact CB-CE2 4.06Å; A202-F208 HydrophobicContact CB-CG 3.71Å; A202-F208 HydrophobicContact CB-CZ 4.32Å; A202-F208 WeakPolarHBondContact O-CB 3.42Å; A202-W215 HydrophobicContact CB-CH2 3.87Å; A202-W215 HydrophobicContact CB-CZ2 4.32Å; A202-W215 HydrophobicContact CB-CZ3 4.39Å; A202-V233 HydrophobicContact CB-CG1 3.92Å; A202-V233 HydrophobicContact CB-CG2 4.06Å |
| 203 | S | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.3 | 178.1 | 80.2 | 0 | 0 | 0 | 0 | 114.2 | L143 V199 T200 N201 T303 | L143-S203 WeakPolarHBondContact CD1-O 3.24Å; V199-S203 WeakPolarHBondContact O-CB 3.4Å; V199-S203 PolarHBondContact O-N 2.97Å; T200-S203 PolarHBondContact O-N 3.36Å; T200-S203 PolarHBondContact O-OG 2.87Å; N201-S203 VanDerWaalsContact C-N 3.26Å; N201-S203 PolarHBondContact O-N 3.47Å; S203-T303 PolarHBondContact OG-OG1 3.03Å |
| 204 | R | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 1.6 | -177.8 | -52.9 | -42.3 | -63.5 | -148.3 | -18.6 | 114.1 | R94 E95 F149 T200 N201 A202 T303 E319 | R94-R204 HydrophobicContact CB-CG 4.23Å; R94-R204 HydrophobicContact CG-CG 4.41Å; E95-R204 HydrophobicContact CG-CB 4Å; E95-R204 VanDerWaalsContact OE1-CB 3.28Å; E95-R204 WeakPolarHBondContact OE1-CB 3.25Å; E95-R204 WeakPolarHBondContact OE1-CG 3.3Å; E95-R204 IonicContact OE1-CZ 2.83Å; E95-R204 VanDerWaalsContact OE1-CZ 3.29Å; E95-R204 IonicContact OE1-NE 3.58Å; E95-R204 PolarHBondContact OE1-NE 3.37Å; E95-R204 IonicContact OE1-NH2 3.21Å; E95-R204 PolarHBondContact OE1-NH2 2.91Å; F149-R204 WeakPolarHBondContact CD1-O 3.42Å; T200-R204 WeakPolarHBondContact O-CG 3.5Å; N201-R204 WeakPolarHBondContact O-CB 3.44Å; N201-R204 PolarHBondContact O-N 2.71Å; A202-R204 PolarHBondContact O-N 3.14Å; R204-T303 WeakPolarHBondContact CD-OG1 3.37Å; R204-T303 VanDerWaalsContact NH1-CB 3.26Å; R204-T303 PolarHBondContact NH1-OG1 3.32Å; R204-E319 IonicContact CZ-OE2 3.32Å; R204-E319 IonicContact NH1-OE2 3.84Å; R204-E319 PolarHBondContact NH1-OE2 3.01Å; R204-E319 IonicContact NH2-OE1 2.69Å; R204-E319 PolarHBondContact NH2-OE1 3.19Å; R204-E319 IonicContact NH2-OE2 2.77Å; R204-E319 PolarHBondContact NH2-OE2 3.47Å |
| 205 | T | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -88.7 | -21.6 | -173.8 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | A151 F175 T177 A202 L207 W215 | A151-T205 WeakPolarHBondContact CB-O 3.28Å; A151-T205 PolarHBondContact N-O 3.11Å; F175-T205 HydrophobicContact CE1-CG2 4.42Å; F175-T205 HydrophobicContact CZ-CG2 4.23Å; T177-T205 HydrophobicContact CG2-CG2 4.4Å; A202-T205 WeakPolarHBondContact O-CB 3.5Å; A202-T205 WeakPolarHBondContact O-CG2 3.38Å; A202-T205 PolarHBondContact O-N 2.84Å; A202-T205 VanDerWaalsContact O-N 3.13Å; A202-T205 PolarHBondContact O-OG1 2.87Å; T205-L207 PolarHBondContact O-N 3.38Å; T205-L207 PolarHBondContact OG1-N 2.9Å; T205-W215 HydrophobicContact CG2-CH2 4.05Å; T205-W215 HydrophobicContact CG2-CZ3 4.15Å; T205-W215 WeakPolarHBondContact OG1-CZ3 3.47Å |
| 206 | M | 98.1 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 64.5 | 10.7 | -160.3 | -56.9 | -174.5 | -51.8 | 0 | 0 | 115.7 | V137 L143 L145 F149 A151 V152 L219 F223 | V137-M206 HydrophobicContact CG1-CB 4.29Å; V137-M206 HydrophobicContact CG1-CG 4.32Å; V137-M206 HydrophobicContact CG1-SD 4.12Å; L143-M206 HydrophobicContact CB-CG 4.21Å; L143-M206 HydrophobicContact CD1-CG 3.84Å; L145-M206 HydrophobicContact CD1-CE 3.99Å; L145-M206 HydrophobicContact CD1-SD 4.24Å; F149-M206 HydrophobicContact CB-CE 3.9Å; F149-M206 HydrophobicContact CB-CG 3.57Å; F149-M206 HydrophobicContact CB-SD 3.82Å; F149-M206 HydrophobicContact CD2-CG 3.9Å; F149-M206 HydrophobicContact CD2-SD 3.57Å; F149-M206 VanDerWaalsContact CD2-SD 3.57Å; F149-M206 HydrophobicContact CG-CG 3.8Å; F149-M206 HydrophobicContact CG-SD 4Å; A151-M206 HydrophobicContact CB-CB 4.11Å; A151-M206 HydrophobicContact CB-CE 3.88Å; V152-M206 HydrophobicContact CG1-CE 3.76Å; V152-M206 HydrophobicContact CG2-CE 4.46Å; M206-L219 WeakPolarHBondContact O-CD1 3.4Å; M206-F223 HydrophobicContact CB-CE2 4Å; M206-F223 HydrophobicContact CB-CZ 4.01Å; M206-F223 HydrophobicContact CE-CE1 3.7Å; M206-F223 HydrophobicContact CE-CZ 3.57Å; M206-F223 WeakPolarHBondContact O-CE2 3.41Å; M206-F223 HydrophobicContact SD-CZ 4.24Å |
| 207 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -108.2 | -13.1 | 175.6 | -56.1 | 173.9 | 0 | 0 | 0 | 112.5 | A151 T205 W215 D216 F223 I225 L230 | A151-L207 HydrophobicContact CB-CD1 4.43Å; A151-L207 HydrophobicContact CB-CD2 3.78Å; A151-L207 HydrophobicContact CB-CG 3.93Å; T205-L207 PolarHBondContact O-N 3.38Å; T205-L207 PolarHBondContact OG1-N 2.9Å; L207-W215 HydrophobicContact CB-CE3 3.78Å; L207-W215 HydrophobicContact CB-CZ3 3.83Å; L207-D216 PolarHBondContact O-N 3.47Å; L207-F223 HydrophobicContact CD2-CB 4.18Å; L207-F223 HydrophobicContact CD2-CD2 3.6Å; L207-F223 HydrophobicContact CD2-CE2 4.39Å; L207-F223 HydrophobicContact CD2-CG 4.18Å; L207-I225 HydrophobicContact CD1-CD1 3.91Å; L207-I225 HydrophobicContact CD1-CG2 4.1Å; L207-I225 HydrophobicContact CD2-CD1 3.85Å; L207-I225 HydrophobicContact CG-CD1 4.45Å; L207-L230 HydrophobicContact CD1-CD2 3.78Å |
| 208 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.2 | -174.9 | -169.6 | -107 | 0 | 0 | 0 | 111.1 | V199 A202 I210 L213 E214 W215 V233 I304 | V199-F208 HydrophobicContact CG1-CZ 4.18Å; A202-F208 HydrophobicContact CB-CB 4.12Å; A202-F208 HydrophobicContact CB-CD1 4.05Å; A202-F208 HydrophobicContact CB-CD2 3.74Å; A202-F208 HydrophobicContact CB-CE1 4.34Å; A202-F208 HydrophobicContact CB-CE2 4.06Å; A202-F208 HydrophobicContact CB-CG 3.71Å; A202-F208 HydrophobicContact CB-CZ 4.32Å; A202-F208 WeakPolarHBondContact O-CB 3.42Å; F208-I210 HydrophobicContact CD1-CG2 4.4Å; F208-I210 PolarHBondContact O-N 3.47Å; F208-L213 HydrophobicContact CE1-CB 4.41Å; F208-L213 HydrophobicContact CE1-CD2 4.12Å; F208-L213 VanDerWaalsContact CE2-O 3.28Å; F208-L213 WeakPolarHBondContact CE2-O 3.41Å; F208-L213 HydrophobicContact CZ-CB 3.93Å; F208-L213 HydrophobicContact CZ-CD2 4.43Å; F208-L213 WeakPolarHBondContact CZ-O 3.38Å; F208-E214 VanDerWaalsContact CD2-C 3.44Å; F208-E214 WeakPolarHBondContact CD2-O 3.48Å; F208-E214 VanDerWaalsContact CE2-N 3.32Å; F208-W215 HydrophobicContact CB-CE3 3.9Å; F208-W215 HydrophobicContact CB-CZ3 3.76Å; F208-W215 HydrophobicContact CD2-CD2 4.22Å; F208-W215 HydrophobicContact CD2-CE3 4.01Å; F208-W215 HydrophobicContact CD2-CZ3 4.26Å; F208-W215 HydrophobicContact CG-CE3 4.48Å; F208-W215 HydrophobicContact CG-CZ3 4.47Å; F208-V233 HydrophobicContact CD2-CG2 4.13Å; F208-V233 HydrophobicContact CE2-CB 4.01Å; F208-V233 HydrophobicContact CE2-CG1 3.72Å; F208-V233 HydrophobicContact CE2-CG2 3.77Å; F208-V233 HydrophobicContact CZ-CG1 3.87Å; F208-I304 HydrophobicContact CD1-CD1 4.36Å; F208-I304 HydrophobicContact CE1-CD1 3.72Å |
| 209 | N | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.3 | 174.2 | -172.3 | -44.7 | 0 | 0 | 0 | 109.3 | K140 H211 S212 L213 E214 D216 | K140-N209 WeakPolarHBondContact O-CA 3.42Å; N209-H211 PolarHBondContact O-N 2.84Å; N209-H211 WeakPolarHBondContact OD1-CB 3.34Å; N209-H211 PolarHBondContact OD1-CD2 3.46Å; N209-H211 PolarHBondContact OD1-N 3.17Å; N209-S212 WeakPolarHBondContact CB-OG 3.48Å; N209-S212 PolarHBondContact OD1-N 3.4Å; N209-L213 WeakPolarHBondContact O-CA 3.23Å; N209-L213 PolarHBondContact O-N 3.26Å; N209-E214 PolarHBondContact N-O 3.14Å; N209-D216 HydrophobicContact CB-CB 4.02Å; N209-D216 PolarHBondContact ND2-OD2 3.44Å |
| 210 | I | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -11.9 | -174.7 | 64 | 168.7 | 0 | 0 | 0 | 112.9 | K140 T141 F208 L213 T302 I304 Y316 | K140-I210 WeakPolarHBondContact O-CG1 3.44Å; K140-I210 PolarHBondContact O-N 3.24Å; T141-I210 WeakPolarHBondContact O-CG2 3.46Å; F208-I210 HydrophobicContact CD1-CG2 4.4Å; F208-I210 PolarHBondContact O-N 3.47Å; I210-L213 VanDerWaalsContact O-CD2 3.3Å; I210-L213 WeakPolarHBondContact O-CD2 3.48Å; I210-T302 HydrophobicContact CD1-CG2 3.86Å; I210-I304 HydrophobicContact CB-CD1 4.17Å; I210-I304 HydrophobicContact CB-CG1 4.16Å; I210-I304 HydrophobicContact CG2-CD1 4.14Å; I210-I304 HydrophobicContact CG2-CG1 4.15Å; I210-Y316 HydrophobicContact CB-CE1 4.26Å; I210-Y316 HydrophobicContact CD1-CE1 4.34Å; I210-Y316 HydrophobicContact CG1-CE1 4.46Å; I210-Y316 WeakPolarHBondContact O-CE1 3.43Å; I210-Y316 PolarHBondContact O-OH 2.68Å |
| 211 | H | 96.9 | Very high | 98.1 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 41% | 0.407 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -48.5 | 178 | -51 | -73.8 | 0 | 0 | 0 | 112.2 | S139 N209 L213 F295 | S139-H211 PolarHBondContact O-NE2 2.89Å; N209-H211 PolarHBondContact O-N 2.84Å; N209-H211 WeakPolarHBondContact OD1-CB 3.34Å; N209-H211 PolarHBondContact OD1-CD2 3.46Å; N209-H211 PolarHBondContact OD1-N 3.17Å; H211-L213 VanDerWaalsContact C-N 3.33Å; H211-F295 AromaticContact CE1-CE2 3.7Å; H211-F295 AromaticContact CE1-CZ 3.54Å; H211-F295 AromaticContact NE2-CZ 3.59Å |
| 212 | S | 97.5 | Very high | 98 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 43% | 0.427 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.4 | 177.6 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | N209 E214 | N209-S212 WeakPolarHBondContact CB-OG 3.48Å; N209-S212 PolarHBondContact OD1-N 3.4Å; S212-E214 VanDerWaalsContact C-N 3.32Å |
| 213 | L | 98.1 | Very high | 97.9 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 38.6 | -173.5 | -51.7 | 178.1 | 0 | 0 | 0 | 112.8 | F208 N209 I210 H211 I304 K307 A314 | F208-L213 HydrophobicContact CE1-CB 4.41Å; F208-L213 HydrophobicContact CE1-CD2 4.12Å; F208-L213 VanDerWaalsContact CE2-O 3.28Å; F208-L213 WeakPolarHBondContact CE2-O 3.41Å; F208-L213 HydrophobicContact CZ-CB 3.93Å; F208-L213 HydrophobicContact CZ-CD2 4.43Å; F208-L213 WeakPolarHBondContact CZ-O 3.38Å; N209-L213 WeakPolarHBondContact O-CA 3.23Å; N209-L213 PolarHBondContact O-N 3.26Å; I210-L213 VanDerWaalsContact O-CD2 3.3Å; I210-L213 WeakPolarHBondContact O-CD2 3.48Å; H211-L213 VanDerWaalsContact C-N 3.33Å; L213-I304 HydrophobicContact CD2-CD1 3.38Å; L213-I304 HydrophobicContact CD2-CG1 4.48Å; L213-K307 HydrophobicContact CD1-CD 4.37Å; L213-A314 HydrophobicContact CD1-CB 3.85Å; L213-A314 HydrophobicContact CD2-CB 4.28Å |
| 214 | E | 98.3 | Very high | 97.9 | Very high | 129 Ų | 129 | 41 Ų | 41 | 60% | 0.603 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.4 | -179.6 | -65.6 | 178.2 | 171.4 | 0 | 0 | 111.1 | F208 N209 S212 D216 | F208-E214 VanDerWaalsContact CD2-C 3.44Å; F208-E214 WeakPolarHBondContact CD2-O 3.48Å; F208-E214 VanDerWaalsContact CE2-N 3.32Å; N209-E214 PolarHBondContact N-O 3.14Å; S212-E214 VanDerWaalsContact C-N 3.32Å; E214-D216 PolarHBondContact O-N 3Å |
| 215 | W | 98.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 128.7 | 167.8 | -61.9 | 122.1 | 0 | 0 | 0 | 110.2 | T197 A202 T205 L207 F208 M227 L230 P231 V233 | T197-W215 HydrophobicContact CG2-CH2 4.5Å; T197-W215 HydrophobicContact CG2-CZ2 4.05Å; A202-W215 HydrophobicContact CB-CH2 3.87Å; A202-W215 HydrophobicContact CB-CZ2 4.32Å; A202-W215 HydrophobicContact CB-CZ3 4.39Å; T205-W215 HydrophobicContact CG2-CH2 4.05Å; T205-W215 HydrophobicContact CG2-CZ3 4.15Å; T205-W215 WeakPolarHBondContact OG1-CZ3 3.47Å; L207-W215 HydrophobicContact CB-CE3 3.78Å; L207-W215 HydrophobicContact CB-CZ3 3.83Å; F208-W215 HydrophobicContact CB-CE3 3.9Å; F208-W215 HydrophobicContact CB-CZ3 3.76Å; F208-W215 HydrophobicContact CD2-CD2 4.22Å; F208-W215 HydrophobicContact CD2-CE3 4.01Å; F208-W215 HydrophobicContact CD2-CZ3 4.26Å; F208-W215 HydrophobicContact CG-CE3 4.48Å; F208-W215 HydrophobicContact CG-CZ3 4.47Å; W215-M227 HydrophobicContact CB-CE 3.86Å; W215-L230 HydrophobicContact CB-CD1 3.99Å; W215-L230 HydrophobicContact CD2-CB 4.12Å; W215-L230 HydrophobicContact CD2-CD1 3.64Å; W215-L230 HydrophobicContact CD2-CG 4.42Å; W215-L230 HydrophobicContact CE3-CD1 3.9Å; W215-L230 HydrophobicContact CG-CB 4.26Å; W215-L230 HydrophobicContact CG-CD1 3.67Å; W215-L230 HydrophobicContact CZ2-CB 4.22Å; W215-P231 HydrophobicContact CZ2-CG 4.02Å; W215-P231 PolarHBondContact NE1-O 3.44Å; W215-V233 HydrophobicContact CD2-CG2 4.3Å; W215-V233 VanDerWaalsContact CE2-CG2 3.46Å; W215-V233 HydrophobicContact CH2-CG2 4.41Å; W215-V233 HydrophobicContact CZ2-CG2 3.52Å |
| 216 | D | 98.5 | Very high | 97.8 | Very high | 18 Ų | 18 | 44 Ų | 44 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | trans | -92.7 | 119.6 | -176 | -166.3 | -81.1 | 0 | 0 | 0 | 110.5 | K140 L207 N209 E214 E218 L219 C220 | K140-D216 WeakPolarHBondContact CD-OD2 3.38Å; K140-D216 IonicContact NZ-OD1 3.49Å; K140-D216 PolarHBondContact NZ-OD1 2.72Å; K140-D216 IonicContact NZ-OD2 3.18Å; K140-D216 PolarHBondContact NZ-OD2 2.78Å; L207-D216 PolarHBondContact O-N 3.47Å; N209-D216 HydrophobicContact CB-CB 4.02Å; N209-D216 PolarHBondContact ND2-OD2 3.44Å; E214-D216 PolarHBondContact O-N 3Å; D216-E218 VanDerWaalsContact C-N 3.31Å; D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 WeakPolarHBondContact OD1-CB 3.26Å; D216-E218 PolarHBondContact OD1-N 2.88Å; D216-L219 HydrophobicContact CB-CB 3.95Å; D216-L219 HydrophobicContact CB-CD1 3.57Å; D216-L219 HydrophobicContact CB-CG 3.72Å; D216-L219 PolarHBondContact O-N 2.93Å; D216-L219 PolarHBondContact OD1-N 3.15Å; D216-C220 PolarHBondContact O-N 3.21Å; D216-C220 PolarHBondContact O-SG 3.41Å | ||
| 217 | K | 97.9 | Very high | 97.8 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 54% | 0.543 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -40.4 | -179.9 | -174.7 | -179.3 | -179.5 | -61.5 | 0 | 112.5 | C220 D221 M227 | K217-C220 PolarHBondContact O-N 2.97Å; K217-D221 IonicContact NZ-OD1 2.68Å; K217-D221 IonicContact NZ-OD2 2.67Å; K217-D221 PolarHBondContact NZ-OD2 2.93Å; K217-D221 WeakPolarHBondContact O-CB 3.2Å; K217-D221 PolarHBondContact O-N 2.94Å; K217-M227 HydrophobicContact CB-SD 4.05Å; K217-M227 HydrophobicContact CG-SD 4.15Å |
| 218 | E | 96.7 | Very high | 97.7 | Very high | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.3 | -34.5 | -178.2 | -57.4 | 175.3 | -178.6 | 0 | 0 | 111.5 | F136 K140 D216 F222 | F136-E218 HydrophobicContact CE2-CB 4.21Å; F136-E218 WeakPolarHBondContact CE2-OE2 3.32Å; F136-E218 HydrophobicContact CZ-CB 3.81Å; K140-E218 WeakPolarHBondContact CE-OE2 3.31Å; K140-E218 IonicContact NZ-OE2 3Å; K140-E218 PolarHBondContact NZ-OE2 2.88Å; D216-E218 VanDerWaalsContact C-N 3.31Å; D216-E218 PolarHBondContact O-N 2.97Å; D216-E218 WeakPolarHBondContact OD1-CB 3.26Å; D216-E218 PolarHBondContact OD1-N 2.88Å; E218-F222 VanDerWaalsContact O-CB 3.29Å; E218-F222 WeakPolarHBondContact O-CB 3.39Å; E218-F222 PolarHBondContact O-N 2.87Å |
| 219 | L | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 171.1 | -63.9 | 174.1 | 0 | 0 | 0 | 110.3 | F136 V137 K140 T141 M206 D216 D221 F222 F223 | F136-L219 HydrophobicContact CD1-CD2 4.32Å; F136-L219 HydrophobicContact CE1-CD2 3.64Å; F136-L219 HydrophobicContact CZ-CD2 3.93Å; V137-L219 HydrophobicContact CG2-CD2 4.45Å; K140-L219 HydrophobicContact CB-CD1 4.06Å; K140-L219 HydrophobicContact CB-CD2 4.49Å; K140-L219 HydrophobicContact CD-CD1 4.27Å; K140-L219 HydrophobicContact CD-CD2 4.09Å; K140-L219 HydrophobicContact CD-CG 3.99Å; T141-L219 HydrophobicContact CG2-CD1 3.37Å; T141-L219 HydrophobicContact CG2-CD2 4.29Å; M206-L219 WeakPolarHBondContact O-CD1 3.4Å; D216-L219 HydrophobicContact CB-CB 3.95Å; D216-L219 HydrophobicContact CB-CD1 3.57Å; D216-L219 HydrophobicContact CB-CG 3.72Å; D216-L219 PolarHBondContact O-N 2.93Å; D216-L219 PolarHBondContact OD1-N 3.15Å; L219-D221 VanDerWaalsContact C-N 3.34Å; L219-D221 PolarHBondContact O-N 3.45Å; L219-F222 WeakPolarHBondContact O-CB 3.19Å; L219-F222 PolarHBondContact O-N 3.24Å; L219-F222 VanDerWaalsContact O-N 3.17Å; L219-F223 WeakPolarHBondContact O-CD2 3.29Å; L219-F223 PolarHBondContact O-N 2.79Å |
| 220 | C | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 178 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | D216 K217 F223 E224 I225 M227 | D216-C220 PolarHBondContact O-N 3.21Å; D216-C220 PolarHBondContact O-SG 3.41Å; K217-C220 PolarHBondContact O-N 2.97Å; C220-F223 CarbonylContact O-C 3.49Å; C220-F223 PolarHBondContact O-N 3.23Å; C220-E224 CarbonylContact O-C 3.57Å; C220-E224 WeakPolarHBondContact O-CA 3.23Å; C220-E224 PolarHBondContact O-N 2.88Å; C220-I225 WeakPolarHBondContact CB-O 3.47Å; C220-I225 PolarHBondContact O-N 3.18Å; C220-M227 HydrophobicContact CB-CG 3.88Å |
| 221 | D | 97.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 55.1 Ų | 55.1 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 175.1 | -69.1 | -22 | 0 | 0 | 0 | 111.3 | K217 L219 E224 | K217-D221 IonicContact NZ-OD1 2.68Å; K217-D221 IonicContact NZ-OD2 2.67Å; K217-D221 PolarHBondContact NZ-OD2 2.93Å; K217-D221 WeakPolarHBondContact O-CB 3.2Å; K217-D221 PolarHBondContact O-N 2.94Å; L219-D221 VanDerWaalsContact C-N 3.34Å; L219-D221 PolarHBondContact O-N 3.45Å; D221-E224 PolarHBondContact O-N 3.33Å; D221-E224 VanDerWaalsContact O-N 3.14Å |
| 222 | F | 96.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.4 | 171.6 | -98.8 | 0 | 0 | 0 | 113.2 | L126 K129 I130 F136 V137 E218 L219 | L126-F222 HydrophobicContact CB-CE1 4.34Å; L126-F222 HydrophobicContact CB-CZ 4.07Å; L126-F222 HydrophobicContact CD2-CE1 4.09Å; L126-F222 HydrophobicContact CD2-CZ 4.13Å; K129-F222 HydrophobicContact CB-CE2 4.02Å; I130-F222 HydrophobicContact CD1-CE2 4.44Å; I130-F222 HydrophobicContact CD1-CZ 3.84Å; I130-F222 HydrophobicContact CG1-CE2 3.66Å; I130-F222 HydrophobicContact CG1-CZ 3.52Å; F136-F222 HydrophobicContact CE1-CB 4.19Å; F136-F222 HydrophobicContact CE1-CG 4.31Å; V137-F222 HydrophobicContact CG2-CD1 4.46Å; V137-F222 HydrophobicContact CG2-CE1 4.16Å; E218-F222 VanDerWaalsContact O-CB 3.29Å; E218-F222 WeakPolarHBondContact O-CB 3.39Å; E218-F222 PolarHBondContact O-N 2.87Å; L219-F222 WeakPolarHBondContact O-CB 3.19Å; L219-F222 PolarHBondContact O-N 3.24Å; L219-F222 VanDerWaalsContact O-N 3.17Å |
| 223 | F | 97.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1 | 175 | -67 | -73.9 | 0 | 0 | 0 | 112.8 | L126 V137 L145 A151 V152 R155 M206 L207 L219 C220 I225 | L126-F223 HydrophobicContact CD1-CD1 3.73Å; L126-F223 HydrophobicContact CD1-CE1 3.83Å; L126-F223 HydrophobicContact CD2-CD1 4.4Å; V137-F223 HydrophobicContact CG1-CZ 4.45Å; V137-F223 HydrophobicContact CG2-CZ 4.28Å; L145-F223 HydrophobicContact CD1-CE1 3.71Å; L145-F223 HydrophobicContact CD1-CZ 3.91Å; A151-F223 HydrophobicContact CB-CB 4.47Å; A151-F223 HydrophobicContact CB-CD1 3.86Å; A151-F223 HydrophobicContact CB-CD2 3.94Å; A151-F223 HydrophobicContact CB-CE1 4.03Å; A151-F223 HydrophobicContact CB-CE2 4.13Å; A151-F223 HydrophobicContact CB-CG 3.84Å; A151-F223 HydrophobicContact CB-CZ 4.18Å; V152-F223 HydrophobicContact CG1-CD1 4.5Å; V152-F223 HydrophobicContact CG1-CE1 4.06Å; R155-F223 WeakPolarHBondContact CD-O 3.48Å; M206-F223 HydrophobicContact CB-CE2 4Å; M206-F223 HydrophobicContact CB-CZ 4.01Å; M206-F223 HydrophobicContact CE-CE1 3.7Å; M206-F223 HydrophobicContact CE-CZ 3.57Å; M206-F223 WeakPolarHBondContact O-CE2 3.41Å; M206-F223 HydrophobicContact SD-CZ 4.24Å; L207-F223 HydrophobicContact CD2-CB 4.18Å; L207-F223 HydrophobicContact CD2-CD2 3.6Å; L207-F223 HydrophobicContact CD2-CE2 4.39Å; L207-F223 HydrophobicContact CD2-CG 4.18Å; L219-F223 WeakPolarHBondContact O-CD2 3.29Å; L219-F223 PolarHBondContact O-N 2.79Å; C220-F223 CarbonylContact O-C 3.49Å; C220-F223 PolarHBondContact O-N 3.23Å; F223-I225 VanDerWaalsContact C-N 3.28Å; F223-I225 HydrophobicContact CB-CD1 3.64Å; F223-I225 HydrophobicContact CB-CG1 4.11Å; F223-I225 PolarHBondContact O-N 2.89Å |
| 224 | E | 97.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 40.3 | -177.7 | -59.9 | 170 | -151.3 | 0 | 0 | 112.5 | K129 R155 C220 D221 | K129-E224 IonicContact NZ-OE1 3.19Å; K129-E224 PolarHBondContact NZ-OE1 3.22Å; R155-E224 VanDerWaalsContact NH1-CB 3.3Å; R155-E224 PolarHBondContact NH1-O 3.27Å; C220-E224 CarbonylContact O-C 3.57Å; C220-E224 WeakPolarHBondContact O-CA 3.23Å; C220-E224 PolarHBondContact O-N 2.88Å; D221-E224 PolarHBondContact O-N 3.33Å; D221-E224 VanDerWaalsContact O-N 3.14Å |
| 225 | I | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -106.1 | 119.5 | -178 | -70.9 | 163.1 | 0 | 0 | 0 | 110 | A151 L154 L158 L207 C220 F223 M227 L229 L230 | A151-I225 HydrophobicContact CB-CD1 4.12Å; L154-I225 HydrophobicContact CB-CD1 4.19Å; L154-I225 HydrophobicContact CD2-CD1 3.9Å; L154-I225 HydrophobicContact CD2-CG1 4.05Å; L154-I225 HydrophobicContact CD2-CG2 3.67Å; L154-I225 HydrophobicContact CG-CD1 4.17Å; L154-I225 HydrophobicContact CG-CG1 4.29Å; L158-I225 HydrophobicContact CD1-CG1 4.27Å; L207-I225 HydrophobicContact CD1-CD1 3.91Å; L207-I225 HydrophobicContact CD1-CG2 4.1Å; L207-I225 HydrophobicContact CD2-CD1 3.85Å; L207-I225 HydrophobicContact CG-CD1 4.45Å; C220-I225 WeakPolarHBondContact CB-O 3.47Å; C220-I225 PolarHBondContact O-N 3.18Å; F223-I225 VanDerWaalsContact C-N 3.28Å; F223-I225 HydrophobicContact CB-CD1 3.64Å; F223-I225 HydrophobicContact CB-CG1 4.11Å; F223-I225 PolarHBondContact O-N 2.89Å; I225-M227 PolarHBondContact O-N 3.4Å; I225-L229 HydrophobicContact CG2-CD1 4.44Å; I225-L230 HydrophobicContact CG2-CD2 4.23Å | ||
| 226 | P | 97.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | trans | -61 | 128.7 | 173.4 | -24.1 | 32.5 | 0 | 0 | 0 | 112.4 | V168 D228 L229 | V168-P226 HydrophobicContact CG1-CG 3.99Å; P226-D228 PolarHBondContact O-N 3.06Å; P226-L229 HydrophobicContact CB-CD1 4.02Å; P226-L229 HydrophobicContact CB-CG 4.26Å; P226-L229 HydrophobicContact CG-CD1 4.01Å; P226-L229 WeakPolarHBondContact O-CB 3.13Å; P226-L229 PolarHBondContact O-N 2.87Å | ||
| 227 | M | 97.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -64.7 | -26.8 | -179.7 | -69.6 | -178 | 72.7 | 0 | 0 | 113.3 | W215 K217 C220 I225 L229 L230 | W215-M227 HydrophobicContact CB-CE 3.86Å; K217-M227 HydrophobicContact CB-SD 4.05Å; K217-M227 HydrophobicContact CG-SD 4.15Å; C220-M227 HydrophobicContact CB-CG 3.88Å; I225-M227 PolarHBondContact O-N 3.4Å; M227-L229 PolarHBondContact O-N 3.39Å; M227-L229 VanDerWaalsContact O-N 3.12Å; M227-L230 HydrophobicContact CG-CD1 4.5Å; M227-L230 WeakPolarHBondContact O-CB 3.36Å; M227-L230 WeakPolarHBondContact O-CG 3.42Å; M227-L230 PolarHBondContact O-N 2.79Å |
| 228 | D | 96.4 | Very high | 97.8 | Very high | 156 Ų | 156 | 43.4 Ų | 43.4 | 83% | 0.834 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -65.5 | -13.3 | 179.1 | -64.1 | -18.1 | 0 | 0 | 0 | 113.5 | P226 L230 | P226-D228 PolarHBondContact O-N 3.06Å; D228-L230 VanDerWaalsContact C-N 3.34Å |
| 229 | L | 97.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -77.6 | -21.4 | 172.9 | -66.4 | 165.1 | 0 | 0 | 0 | 112.6 | V168 A173 F175 H195 I225 P226 M227 | V168-L229 HydrophobicContact CG1-CD1 4.1Å; V168-L229 HydrophobicContact CG1-CD2 4.33Å; V168-L229 HydrophobicContact CG2-CD1 4.28Å; V168-L229 HydrophobicContact CG2-CD2 3.89Å; A173-L229 HydrophobicContact CB-CD2 3.59Å; A173-L229 WeakPolarHBondContact O-CD2 3.19Å; F175-L229 HydrophobicContact CB-CB 4.2Å; F175-L229 PolarHBondContact N-O 2.78Å; H195-L229 PolarHBondContact CE1-O 3.18Å; H195-L229 VanDerWaalsContact CE1-O 3.29Å; I225-L229 HydrophobicContact CG2-CD1 4.44Å; P226-L229 HydrophobicContact CB-CD1 4.02Å; P226-L229 HydrophobicContact CB-CG 4.26Å; P226-L229 HydrophobicContact CG-CD1 4.01Å; P226-L229 WeakPolarHBondContact O-CB 3.13Å; P226-L229 PolarHBondContact O-N 2.87Å; M227-L229 PolarHBondContact O-N 3.39Å; M227-L229 VanDerWaalsContact O-N 3.12Å |
| 230 | L | 98.7 | Very high | 98 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -85.6 | 141.3 | -164.1 | -54.5 | 178.7 | 0 | 0 | 0 | 111.6 | F175 H195 L207 W215 I225 M227 D228 | F175-L230 HydrophobicContact CD1-CD2 3.55Å; F175-L230 HydrophobicContact CE1-CD2 3.89Å; F175-L230 HydrophobicContact CG-CD2 4.49Å; H195-L230 VanDerWaalsContact CE1-C 3.45Å; L207-L230 HydrophobicContact CD1-CD2 3.78Å; W215-L230 HydrophobicContact CB-CD1 3.99Å; W215-L230 HydrophobicContact CD2-CB 4.12Å; W215-L230 HydrophobicContact CD2-CD1 3.64Å; W215-L230 HydrophobicContact CD2-CG 4.42Å; W215-L230 HydrophobicContact CE3-CD1 3.9Å; W215-L230 HydrophobicContact CG-CB 4.26Å; W215-L230 HydrophobicContact CG-CD1 3.67Å; W215-L230 HydrophobicContact CZ2-CB 4.22Å; I225-L230 HydrophobicContact CG2-CD2 4.23Å; M227-L230 HydrophobicContact CG-CD1 4.5Å; M227-L230 WeakPolarHBondContact O-CB 3.36Å; M227-L230 WeakPolarHBondContact O-CG 3.42Å; M227-L230 PolarHBondContact O-N 2.79Å; D228-L230 VanDerWaalsContact C-N 3.34Å |
| 231 | P | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 155.3 | 178.7 | 23.6 | -27.3 | 0 | 0 | 0 | 112 | F175 H195 T197 W215 V233 | F175-P231 WeakPolarHBondContact O-CD 3.29Å; H195-P231 WeakPolarHBondContact CE1-CA 3.14Å; H195-P231 VanDerWaalsContact CE1-N 3.32Å; T197-P231 HydrophobicContact CG2-CB 4.23Å; T197-P231 HydrophobicContact CG2-CG 3.67Å; W215-P231 HydrophobicContact CZ2-CG 4.02Å; W215-P231 PolarHBondContact NE1-O 3.44Å; P231-V233 PolarHBondContact O-N 3.48Å |
| 232 | N | 98.6 | Very high | 98.1 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136 | 167.2 | -68.2 | -59.2 | 0 | 0 | 0 | 110.1 | H195 C196 T197 F234 | H195-N232 PolarHBondContact O-N 3.45Å; H195-N232 VanDerWaalsContact O-N 3.12Å; C196-N232 CarbonylContact C-O 3.57Å; C196-N232 WeakPolarHBondContact CA-O 3.41Å; C196-N232 HydrophobicContact CB-CB 4.47Å; C196-N232 VanDerWaalsContact CB-O 3.32Å; C196-N232 WeakPolarHBondContact CB-O 3.33Å; T197-N232 PolarHBondContact N-O 2.93Å; N232-F234 HydrophobicContact CB-CD2 4.27Å; N232-F234 HydrophobicContact CB-CE2 3.64Å |
| 233 | V | 98.7 | Very high | 98.1 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126 | -178.8 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | T197 V199 A202 F208 W215 P231 | T197-V233 HydrophobicContact CG2-CB 4.49Å; T197-V233 HydrophobicContact CG2-CG1 4.46Å; T197-V233 HydrophobicContact CG2-CG2 3.91Å; T197-V233 WeakPolarHBondContact O-CA 3.43Å; V199-V233 HydrophobicContact CB-CG1 4.49Å; V199-V233 HydrophobicContact CG1-CG1 3.85Å; A202-V233 HydrophobicContact CB-CG1 3.92Å; A202-V233 HydrophobicContact CB-CG2 4.06Å; F208-V233 HydrophobicContact CD2-CG2 4.13Å; F208-V233 HydrophobicContact CE2-CB 4.01Å; F208-V233 HydrophobicContact CE2-CG1 3.72Å; F208-V233 HydrophobicContact CE2-CG2 3.77Å; F208-V233 HydrophobicContact CZ-CG1 3.87Å; W215-V233 HydrophobicContact CD2-CG2 4.3Å; W215-V233 VanDerWaalsContact CE2-CG2 3.46Å; W215-V233 HydrophobicContact CH2-CG2 4.41Å; W215-V233 HydrophobicContact CZ2-CG2 3.52Å; P231-V233 PolarHBondContact O-N 3.48Å |
| 234 | F | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 46 Ų | 46 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 171.2 | 179 | -72.6 | -97.3 | 0 | 0 | 0 | 111.7 | C196 T197 D198 V199 N232 E238 Y240 | C196-F234 HydrophobicContact CB-CD2 3.58Å; C196-F234 HydrophobicContact CB-CE2 3.62Å; T197-F234 PolarHBondContact O-N 3.01Å; D198-F234 WeakPolarHBondContact CA-O 3.39Å; V199-F234 PolarHBondContact N-O 3.33Å; N232-F234 HydrophobicContact CB-CD2 4.27Å; N232-F234 HydrophobicContact CB-CE2 3.64Å; F234-E238 HydrophobicContact CD1-CG 4.41Å; F234-E238 WeakPolarHBondContact CD1-OE1 3.46Å; F234-Y240 HydrophobicContact CB-CD1 3.91Å; F234-Y240 HydrophobicContact CB-CE1 3.6Å; F234-Y240 HydrophobicContact CG-CD1 4.12Å; F234-Y240 HydrophobicContact CG-CE1 4.31Å |
| 235 | S | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | trans | -66.9 | 161.6 | 169.5 | 77 | 0 | 0 | 0 | 0 | 111 | S237 E238 Y240 K307 G309 K310 | S235-S237 PolarHBondContact O-N 3.42Å; S235-S237 PolarHBondContact OG-O 2.98Å; S235-E238 WeakPolarHBondContact OG-CB 3.32Å; S235-E238 PolarHBondContact OG-OE2 3.25Å; S235-Y240 WeakPolarHBondContact O-CE1 3.49Å; S235-Y240 PolarHBondContact O-OH 2.97Å; S235-K307 CarbonylContact C-O 3.34Å; S235-K307 WeakPolarHBondContact CB-O 3.49Å; S235-G309 VanDerWaalsContact CB-C 3.43Å; S235-G309 WeakPolarHBondContact CB-O 3.37Å; S235-G309 VanDerWaalsContact OG-C 3.24Å; S235-G309 WeakPolarHBondContact OG-CA 3.28Å; S235-K310 PolarHBondContact OG-N 3.39Å | ||
| 236 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -71.7 | -7.8 | 179.7 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | D198 Y240 G255 C256 K307 | D198-S236 PolarHBondContact OD2-OG 3.32Å; S236-Y240 WeakPolarHBondContact CA-OH 3.41Å; S236-Y240 PolarHBondContact O-OH 3.07Å; S236-G255 WeakPolarHBondContact O-CA 3.37Å; S236-C256 VanDerWaalsContact CA-O 3.29Å; S236-C256 WeakPolarHBondContact CA-O 3.43Å; S236-C256 WeakPolarHBondContact CB-O 3.33Å; S236-C256 PolarHBondContact O-N 3.19Å; S236-K307 WeakPolarHBondContact CA-O 3.37Å; S236-K307 WeakPolarHBondContact CB-O 3.48Å; S236-K307 PolarHBondContact N-O 2.89Å; S236-K307 PolarHBondContact OG-N 2.61Å |
| 237 | S | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 86.2 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | S235 S254 G309 A462 A466 | S235-S237 PolarHBondContact O-N 3.42Å; S235-S237 PolarHBondContact OG-O 2.98Å; S237-S254 CarbonylContact C-O 3.55Å; S237-S254 WeakPolarHBondContact CA-O 3.18Å; S237-G309 WeakPolarHBondContact O-CA 3.29Å; S237-A462 WeakPolarHBondContact CB-O 3.24Å; S237-A462 PolarHBondContact OG-O 2.61Å; S237-A466 VanDerWaalsContact OG-CA 3.29Å; S237-A466 WeakPolarHBondContact OG-CA 3.23Å; S237-A466 PolarHBondContact OG-N 3Å |
| 238 | E | 98 | Very high | 97.7 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 146.2 | -176.7 | -179.2 | 168.3 | 176.6 | 0 | 0 | 109.2 | F234 S235 Y240 S254 | F234-E238 HydrophobicContact CD1-CG 4.41Å; F234-E238 WeakPolarHBondContact CD1-OE1 3.46Å; S235-E238 WeakPolarHBondContact OG-CB 3.32Å; S235-E238 PolarHBondContact OG-OE2 3.25Å; E238-Y240 HydrophobicContact CB-CE1 4.19Å; E238-Y240 WeakPolarHBondContact O-CD2 3.48Å; E238-Y240 WeakPolarHBondContact O-CE2 3.37Å; E238-Y240 PolarHBondContact O-N 2.79Å; E238-S254 PolarHBondContact N-O 3.25Å; E238-S254 CarbonylContact O-C 3.58Å; E238-S254 WeakPolarHBondContact O-CA 3.26Å |
| 239 | I | 98.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 43 Ų | 43 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 104.3 | 177.3 | -60 | 172 | 0 | 0 | 0 | 109.1 | P252 V469 | I239-P252 HydrophobicContact CG1-CB 4.47Å; I239-P252 HydrophobicContact CG2-CB 4.03Å; I239-V469 HydrophobicContact CD1-CG2 4.19Å; I239-V469 HydrophobicContact CG1-CG2 4.21Å |
| 240 | Y | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -37 | 178.9 | -47.1 | -64.8 | 0 | 0 | 0 | 112 | I183 F234 S235 S236 E238 I253 C256 | I183-Y240 HydrophobicContact CD1-CD2 4.36Å; F234-Y240 HydrophobicContact CB-CD1 3.91Å; F234-Y240 HydrophobicContact CB-CE1 3.6Å; F234-Y240 HydrophobicContact CG-CD1 4.12Å; F234-Y240 HydrophobicContact CG-CE1 4.31Å; S235-Y240 WeakPolarHBondContact O-CE1 3.49Å; S235-Y240 PolarHBondContact O-OH 2.97Å; S236-Y240 WeakPolarHBondContact CA-OH 3.41Å; S236-Y240 PolarHBondContact O-OH 3.07Å; E238-Y240 HydrophobicContact CB-CE1 4.19Å; E238-Y240 WeakPolarHBondContact O-CD2 3.48Å; E238-Y240 WeakPolarHBondContact O-CE2 3.37Å; E238-Y240 PolarHBondContact O-N 2.79Å; Y240-I253 HydrophobicContact CD2-CB 4.47Å; Y240-I253 HydrophobicContact CD2-CG2 4Å; Y240-I253 VanDerWaalsContact CD2-O 3.31Å; Y240-I253 WeakPolarHBondContact CD2-O 3.36Å; Y240-I253 PolarHBondContact N-O 3.36Å; Y240-C256 HydrophobicContact CE2-CB 3.62Å; Y240-C256 WeakPolarHBondContact OH-CB 3.48Å; Y240-C256 PolarHBondContact OH-N 3.36Å |
| 241 | G | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 177.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P252 I253 | G241-P252 WeakPolarHBondContact O-CA 3.4Å; G241-I253 PolarHBondContact O-N 2.75Å |
| 242 | L | 98.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139 | 177.9 | -53.8 | -177.8 | 0 | 0 | 0 | 109.8 | K244 P252 | L242-K244 PolarHBondContact O-N 3.03Å; L242-P252 HydrophobicContact CD2-CB 3.79Å |
| 243 | I | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -59.8 | 131.7 | 171.2 | -64.3 | 174.2 | 0 | 0 | 0 | 108.6 | V88 L186 T245 L248 G250 V251 I253 | V88-I243 HydrophobicContact CB-CD1 4.22Å; V88-I243 HydrophobicContact CG2-CD1 3.85Å; L186-I243 WeakPolarHBondContact O-CA 3.33Å; I243-T245 WeakPolarHBondContact CG2-O 3.42Å; I243-L248 WeakPolarHBondContact CB-O 3.49Å; I243-L248 HydrophobicContact CD1-CB 3.94Å; I243-L248 HydrophobicContact CD1-CD1 4.39Å; I243-L248 HydrophobicContact CG2-CB 4.49Å; I243-G250 PolarHBondContact O-N 2.82Å; I243-V251 PolarHBondContact N-O 3.36Å; I243-I253 HydrophobicContact CD1-CG1 4.31Å; I243-I253 HydrophobicContact CG1-CD1 3.99Å; I243-I253 HydrophobicContact CG1-CG1 3.67Å | ||
| 244 | K | 97.6 | Very high | 97.8 | Very high | 108 Ų | 108 | 38.8 Ų | 38.8 | 47% | 0.47 | 23% | 0.231 | S | C | . | . | trans | -96.9 | -15.1 | -172.5 | -70.8 | -61.8 | -172.6 | 177.8 | 0 | 115.8 | L186 T187 L242 | L186-K244 PolarHBondContact O-N 3.35Å; T187-K244 WeakPolarHBondContact O-CG 3.41Å; L242-K244 PolarHBondContact O-N 3.03Å | ||
| 245 | T | 93.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 35.9 Ų | 35.9 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -147.1 | 160.8 | -174.2 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | I243 | I243-T245 WeakPolarHBondContact CG2-O 3.42Š|
| 246 | G | 94.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 82.1 | -167.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L248 E249 | G246-L248 PolarHBondContact O-N 3.21Å; G246-E249 PolarHBondContact O-N 3.4Å; G246-E249 VanDerWaalsContact O-N 3.14Å |
| 247 | A | 95 | Very high | 97.8 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | C72 | C72-A247 HydrophobicContact CB-CB 3.87Š|
| 248 | L | 97.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 22 | -178.8 | -57.7 | -176.9 | 0 | 0 | 0 | 112.7 | F25 I68 I82 I85 V88 I243 G246 G250 V251 | F25-L248 HydrophobicContact CE1-CD1 4.09Å; F25-L248 HydrophobicContact CE2-CD1 4.3Å; F25-L248 HydrophobicContact CZ-CD1 3.56Å; I68-L248 HydrophobicContact CG2-CD1 3.56Å; I68-L248 HydrophobicContact CG2-CG 3.76Å; I82-L248 HydrophobicContact CG2-CD2 3.71Å; I85-L248 HydrophobicContact CB-CD2 4.3Å; I85-L248 HydrophobicContact CD1-CD2 3.77Å; I85-L248 HydrophobicContact CG2-CD2 4.29Å; V88-L248 HydrophobicContact CG2-CD1 3.86Å; I243-L248 WeakPolarHBondContact CB-O 3.49Å; I243-L248 HydrophobicContact CD1-CB 3.94Å; I243-L248 HydrophobicContact CD1-CD1 4.39Å; I243-L248 HydrophobicContact CG2-CB 4.49Å; G246-L248 PolarHBondContact O-N 3.21Å; L248-G250 PolarHBondContact O-N 3.17Å; L248-V251 HydrophobicContact CB-CB 4.2Å; L248-V251 HydrophobicContact CB-CG2 4Å; L248-V251 HydrophobicContact CD2-CG2 4.34Å; L248-V251 VanDerWaalsContact O-CB 3.27Å; L248-V251 WeakPolarHBondContact O-CB 3.49Å; L248-V251 WeakPolarHBondContact O-CG2 3.44Å; L248-V251 PolarHBondContact O-N 3.43Å |
| 249 | E | 97.8 | Very high | 97.7 | Very high | 141 Ų | 141 | 35.4 Ų | 35.4 | 66% | 0.659 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131.1 | 175.5 | -175.1 | 178.1 | 170.2 | 0 | 0 | 111.4 | G246 V251 | G246-E249 PolarHBondContact O-N 3.4Å; G246-E249 VanDerWaalsContact O-N 3.14Å; E249-V251 VanDerWaalsContact C-N 3.28Å; E249-V251 PolarHBondContact O-N 2.86Å |
| 250 | G | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -10 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | I243 L248 | I243-G250 PolarHBondContact O-N 2.82Å; L248-G250 PolarHBondContact O-N 3.17Å |
| 251 | V | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | trans | -72.1 | 132.7 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | I85 V88 I243 L248 E249 | I85-V251 HydrophobicContact CG2-CG1 4.19Å; V88-V251 HydrophobicContact CG2-CG1 4Å; I243-V251 PolarHBondContact N-O 3.36Å; L248-V251 HydrophobicContact CB-CB 4.2Å; L248-V251 HydrophobicContact CB-CG2 4Å; L248-V251 HydrophobicContact CD2-CG2 4.34Å; L248-V251 VanDerWaalsContact O-CB 3.27Å; L248-V251 WeakPolarHBondContact O-CB 3.49Å; L248-V251 WeakPolarHBondContact O-CG2 3.44Å; L248-V251 PolarHBondContact O-N 3.43Å; E249-V251 VanDerWaalsContact C-N 3.28Å; E249-V251 PolarHBondContact O-N 2.86Å | ||
| 252 | P | 98.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 137.7 | 179.5 | 28.2 | -34.1 | 0 | 0 | 0 | 112 | K86 A87 V88 I239 G241 L242 V469 | K86-P252 VanDerWaalsContact O-CD 3.3Å; K86-P252 WeakPolarHBondContact O-CD 3.33Å; K86-P252 WeakPolarHBondContact O-CG 3.42Å; A87-P252 CarbonylContact C-O 3.59Å; A87-P252 WeakPolarHBondContact CA-O 3.46Å; A87-P252 HydrophobicContact CB-CG 4.37Å; V88-P252 PolarHBondContact N-O 3.02Å; I239-P252 HydrophobicContact CG1-CB 4.47Å; I239-P252 HydrophobicContact CG2-CB 4.03Å; G241-P252 WeakPolarHBondContact O-CA 3.4Å; L242-P252 HydrophobicContact CD2-CB 3.79Å; P252-V469 HydrophobicContact CG-CG2 4.02Å |
| 253 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.8 | 159.6 | -49.1 | 179.5 | 0 | 0 | 0 | 106 | V88 I90 I183 L186 T187 Y240 G241 I243 | V88-I253 WeakPolarHBondContact O-CA 3.27Å; I90-I253 HydrophobicContact CD1-CD1 4.26Å; I90-I253 HydrophobicContact CD1-CG2 3.63Å; I90-I253 HydrophobicContact CG1-CG2 4.02Å; I183-I253 HydrophobicContact CG1-CG2 4.41Å; L186-I253 HydrophobicContact CB-CD1 3.75Å; L186-I253 HydrophobicContact CD1-CD1 4.09Å; T187-I253 HydrophobicContact CG2-CD1 3.86Å; Y240-I253 HydrophobicContact CD2-CB 4.47Å; Y240-I253 HydrophobicContact CD2-CG2 4Å; Y240-I253 VanDerWaalsContact CD2-O 3.31Å; Y240-I253 WeakPolarHBondContact CD2-O 3.36Å; Y240-I253 PolarHBondContact N-O 3.36Å; G241-I253 PolarHBondContact O-N 2.75Å; I243-I253 HydrophobicContact CD1-CG1 4.31Å; I243-I253 HydrophobicContact CG1-CD1 3.99Å; I243-I253 HydrophobicContact CG1-CG1 3.67Å |
| 254 | S | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 4.1 | -168.6 | 62.3 | 0 | 0 | 0 | 0 | 115.4 | A87 V88 S237 E238 A463 A466 | A87-S254 VanDerWaalsContact CB-OG 3.29Å; A87-S254 WeakPolarHBondContact CB-OG 3.24Å; V88-S254 PolarHBondContact O-N 3.13Å; S237-S254 CarbonylContact C-O 3.55Å; S237-S254 WeakPolarHBondContact CA-O 3.18Å; E238-S254 PolarHBondContact N-O 3.25Å; E238-S254 CarbonylContact O-C 3.58Å; E238-S254 WeakPolarHBondContact O-CA 3.26Å; S254-A463 WeakPolarHBondContact OG-CA 3.44Å; S254-A463 PolarHBondContact OG-O 3.41Å; S254-A466 WeakPolarHBondContact O-CB 3.41Å |
| 255 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 137.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G89 I90 S236 | G89-G255 CarbonylContact C-O 3.36Å; G89-G255 VanDerWaalsContact CA-O 3.31Å; G89-G255 WeakPolarHBondContact CA-O 3.27Å; I90-G255 PolarHBondContact N-O 3.29Å; S236-G255 WeakPolarHBondContact O-CA 3.37Å |
| 256 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 123.7 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | I90 D179 I183 D198 S236 Y240 | I90-C256 VanDerWaalsContact O-CA 3.29Å; I90-C256 WeakPolarHBondContact O-CA 3.44Å; D179-C256 WeakPolarHBondContact CB-SG 3.29Å; I183-C256 HydrophobicContact CD1-CB 4.38Å; D198-C256 HydrophobicContact CB-CB 3.86Å; D198-C256 WeakPolarHBondContact CB-O 3.42Å; S236-C256 VanDerWaalsContact CA-O 3.29Å; S236-C256 WeakPolarHBondContact CA-O 3.43Å; S236-C256 WeakPolarHBondContact CB-O 3.33Å; S236-C256 PolarHBondContact O-N 3.19Å; Y240-C256 HydrophobicContact CE2-CB 3.62Å; Y240-C256 WeakPolarHBondContact OH-CB 3.48Å; Y240-C256 PolarHBondContact OH-N 3.36Å |
| 257 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 137.4 | 175.4 | -70.9 | 99.5 | 0 | 0 | 0 | 110.8 | I90 S91 T200 C261 A262 V265 A462 | I90-L257 PolarHBondContact O-N 3.33Å; S91-L257 WeakPolarHBondContact CA-O 3.36Å; S91-L257 VanDerWaalsContact CB-O 3.28Å; S91-L257 WeakPolarHBondContact CB-O 3.25Å; S91-L257 PolarHBondContact OG-O 3.16Å; T200-L257 HydrophobicContact CG2-CD2 4.43Å; T200-L257 WeakPolarHBondContact OG1-CA 3.25Å; L257-C261 HydrophobicContact CB-CB 4.49Å; L257-C261 HydrophobicContact CD2-CB 4.27Å; L257-A262 HydrophobicContact CB-CB 3.76Å; L257-V265 HydrophobicContact CD2-CB 4.46Å; L257-V265 HydrophobicContact CD2-CG2 3.64Å; L257-A462 HydrophobicContact CD1-CB 3.33Å |
| 258 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 143.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T200 N201 Q260 C261 A262 | T200-G258 PolarHBondContact OG1-N 3.34Å; N201-G258 PolarHBondContact ND2-N 3.18Å; G258-Q260 VanDerWaalsContact C-N 3.31Å; G258-Q260 PolarHBondContact O-N 3.38Å; G258-Q260 VanDerWaalsContact O-N 3.09Å; G258-C261 CarbonylContact O-C 3.47Å; G258-C261 WeakPolarHBondContact O-CA 3.5Å; G258-C261 WeakPolarHBondContact O-CB 3.4Å; G258-C261 PolarHBondContact O-N 3.2Å; G258-A262 PolarHBondContact O-N 2.95Å |
| 259 | D | 95.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 14.5 Ų | 14.5 | 19% | 0.187 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -44 | -47.5 | -170.2 | 66.1 | -23.5 | 0 | 0 | 0 | 115.7 | S91 N92 R94 A262 A263 T455 | S91-D259 VanDerWaalsContact OG-CA 3.24Å; S91-D259 WeakPolarHBondContact OG-CA 3.44Å; S91-D259 PolarHBondContact OG-N 2.65Å; N92-D259 VanDerWaalsContact O-CB 3.3Å; N92-D259 WeakPolarHBondContact O-CB 3.18Å; N92-D259 PolarHBondContact O-N 2.94Å; R94-D259 WeakPolarHBondContact CD-OD1 3.41Å; R94-D259 IonicContact CZ-OD1 3.8Å; R94-D259 IonicContact NE-OD1 2.84Å; R94-D259 PolarHBondContact NE-OD1 3.03Å; D259-A262 PolarHBondContact O-N 2.69Å; D259-A263 PolarHBondContact O-N 2.92Å; D259-T455 HydrophobicContact CB-CG2 4.15Å |
| 260 | Q | 95.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 9.6 Ų | 9.6 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -72.8 | -35.3 | -178.2 | -59.9 | -51.3 | -48.3 | 0 | 0 | 112.4 | R94 G258 A263 L264 K276 T278 F284 L286 | R94-Q260 VanDerWaalsContact CZ-CG 3.46Å; G258-Q260 VanDerWaalsContact C-N 3.31Å; G258-Q260 PolarHBondContact O-N 3.38Å; G258-Q260 VanDerWaalsContact O-N 3.09Å; Q260-A263 PolarHBondContact O-N 3.09Å; Q260-L264 PolarHBondContact O-N 3.23Å; Q260-K276 WeakPolarHBondContact O-CE 3.3Å; Q260-K276 PolarHBondContact O-NZ 3.08Å; Q260-T278 PolarHBondContact OE1-OG1 3.19Å; Q260-F284 VanDerWaalsContact CD-CB 3.49Å; Q260-F284 HydrophobicContact CG-CB 3.96Å; Q260-F284 HydrophobicContact CG-CD1 4.36Å; Q260-F284 HydrophobicContact CG-CG 4.16Å; Q260-L286 HydrophobicContact CB-CD1 3.6Å; Q260-L286 HydrophobicContact CB-CD2 3.94Å; Q260-L286 HydrophobicContact CB-CG 4.46Å; Q260-L286 HydrophobicContact CG-CD1 4.28Å |
| 261 | C | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.7 | -40.1 | 174.7 | -64.5 | 0 | 0 | 0 | 0 | 111 | T200 L257 G258 L264 V265 I304 A305 | T200-C261 HydrophobicContact CG2-CB 3.95Å; L257-C261 HydrophobicContact CB-CB 4.49Å; L257-C261 HydrophobicContact CD2-CB 4.27Å; G258-C261 CarbonylContact O-C 3.47Å; G258-C261 WeakPolarHBondContact O-CA 3.5Å; G258-C261 WeakPolarHBondContact O-CB 3.4Å; G258-C261 PolarHBondContact O-N 3.2Å; C261-L264 WeakPolarHBondContact O-CB 3.36Å; C261-L264 PolarHBondContact O-N 2.69Å; C261-V265 PolarHBondContact O-N 2.83Å; C261-I304 PolarHBondContact SG-O 2.55Å; C261-I304 VanDerWaalsContact SG-O 3.38Å; C261-A305 VanDerWaalsContact CB-O 3.27Å; C261-A305 WeakPolarHBondContact CB-O 3.47Å |
| 262 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | S91 L257 G258 D259 L264 V265 G266 T455 G458 | S91-A262 VanDerWaalsContact OG-CB 3.3Å; S91-A262 WeakPolarHBondContact OG-CB 3.36Å; L257-A262 HydrophobicContact CB-CB 3.76Å; G258-A262 PolarHBondContact O-N 2.95Å; D259-A262 PolarHBondContact O-N 2.69Å; A262-L264 VanDerWaalsContact C-N 3.29Å; A262-L264 PolarHBondContact O-N 3.46Å; A262-V265 PolarHBondContact O-N 3.48Å; A262-V265 VanDerWaalsContact O-N 3.17Å; A262-G266 PolarHBondContact O-N 2.83Å; A262-T455 HydrophobicContact CB-CG2 4.1Å; A262-T455 WeakPolarHBondContact CB-O 3.42Å; A262-G458 WeakPolarHBondContact O-CA 3.38Å |
| 263 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62 | -35 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D259 Q260 G266 Q267 K276 | D259-A263 PolarHBondContact O-N 2.92Å; Q260-A263 PolarHBondContact O-N 3.09Å; A263-G266 PolarHBondContact O-N 2.95Å; A263-Q267 VanDerWaalsContact O-CB 3.28Å; A263-Q267 WeakPolarHBondContact O-CB 3.21Å; A263-Q267 WeakPolarHBondContact O-CG 3.28Å; A263-Q267 PolarHBondContact O-N 3.24Å; A263-K276 HydrophobicContact CB-CD 4.2Å; A263-K276 VanDerWaalsContact CB-NZ 3.35Å |
| 264 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 173.4 | -172.1 | 74.2 | 0 | 0 | 0 | 111.9 | Q260 C261 A262 M268 C269 K276 L286 N288 A305 | Q260-L264 PolarHBondContact O-N 3.23Å; C261-L264 WeakPolarHBondContact O-CB 3.36Å; C261-L264 PolarHBondContact O-N 2.69Å; A262-L264 VanDerWaalsContact C-N 3.29Å; A262-L264 PolarHBondContact O-N 3.46Å; L264-M268 PolarHBondContact O-N 3.21Å; L264-C269 HydrophobicContact CD1-CB 3.36Å; L264-C269 HydrophobicContact CG-CB 3.81Å; L264-C269 WeakPolarHBondContact O-CB 3.32Å; L264-C269 PolarHBondContact O-N 2.88Å; L264-C269 VanDerWaalsContact O-N 3.08Å; L264-K276 HydrophobicContact CB-CG 4.26Å; L264-K276 HydrophobicContact CD1-CG 3.79Å; L264-L286 HydrophobicContact CD1-CB 4.09Å; L264-L286 HydrophobicContact CD2-CB 4.48Å; L264-N288 HydrophobicContact CD2-CB 4.5Å; L264-A305 HydrophobicContact CD2-CB 3.76Å |
| 265 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L257 C261 A262 Q267 M268 F270 Y306 M461 | L257-V265 HydrophobicContact CD2-CB 4.46Å; L257-V265 HydrophobicContact CD2-CG2 3.64Å; C261-V265 PolarHBondContact O-N 2.83Å; A262-V265 PolarHBondContact O-N 3.48Å; A262-V265 VanDerWaalsContact O-N 3.17Å; V265-Q267 VanDerWaalsContact C-N 3.29Å; V265-Q267 PolarHBondContact O-N 3.07Å; V265-M268 WeakPolarHBondContact O-CA 3.37Å; V265-M268 PolarHBondContact O-N 2.88Å; V265-F270 HydrophobicContact CB-CE1 4.29Å; V265-F270 HydrophobicContact CG1-CE1 3.9Å; V265-F270 HydrophobicContact CG1-CZ 3.92Å; V265-F270 HydrophobicContact CG2-CE1 4.24Å; V265-Y306 HydrophobicContact CG2-CD1 3.61Å; V265-Y306 HydrophobicContact CG2-CE1 4.34Å; V265-Y306 HydrophobicContact CG2-CG 4.06Å; V265-M461 HydrophobicContact CG1-CB 4.31Å |
| 266 | G | 93.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.3 | -27.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A262 A263 M268 T454 | A262-G266 PolarHBondContact O-N 2.83Å; A263-G266 PolarHBondContact O-N 2.95Å; G266-M268 PolarHBondContact O-N 2.85Å; G266-T454 WeakPolarHBondContact CA-O 3.48Å |
| 267 | Q | 91.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 18.6 Ų | 18.6 | 5% | 0.051 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.6 | 169.8 | -69.7 | -77.5 | 19.9 | 0 | 0 | 113.1 | A263 V265 C269 K276 Q423 V424 D425 T454 | A263-Q267 VanDerWaalsContact O-CB 3.28Å; A263-Q267 WeakPolarHBondContact O-CB 3.21Å; A263-Q267 WeakPolarHBondContact O-CG 3.28Å; A263-Q267 PolarHBondContact O-N 3.24Å; V265-Q267 VanDerWaalsContact C-N 3.29Å; V265-Q267 PolarHBondContact O-N 3.07Å; Q267-C269 PolarHBondContact O-N 3.28Å; Q267-K276 HydrophobicContact CB-CB 4.14Å; Q267-K276 HydrophobicContact CG-CB 3.92Å; Q267-K276 HydrophobicContact CG-CG 4.3Å; Q267-Q423 HydrophobicContact CB-CB 4.04Å; Q267-Q423 HydrophobicContact CB-CG 4.18Å; Q267-Q423 HydrophobicContact CG-CB 4.13Å; Q267-V424 PolarHBondContact NE2-O 3.02Å; Q267-D425 WeakPolarHBondContact CG-OD2 3.25Å; Q267-D425 PolarHBondContact NE2-OD2 3.04Å; Q267-T454 HydrophobicContact CG-CG2 4.02Å |
| 268 | M | 90.4 | Very high | 94 | Very high | 27 Ų | 27 | 19.4 Ų | 19.4 | 13% | 0.133 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 31.5 | 177 | -53.1 | 169.9 | 167.7 | 0 | 0 | 113 | L264 V265 G266 F270 Q274 M461 L479 L482 | L264-M268 PolarHBondContact O-N 3.21Å; V265-M268 WeakPolarHBondContact O-CA 3.37Å; V265-M268 PolarHBondContact O-N 2.88Å; G266-M268 PolarHBondContact O-N 2.85Å; M268-F270 HydrophobicContact CB-CD2 4.25Å; M268-F270 HydrophobicContact CB-CE2 4.09Å; M268-F270 HydrophobicContact CG-CE2 4.34Å; M268-F270 PolarHBondContact O-N 3.39Å; M268-Q274 PolarHBondContact O-OE1 3.37Å; M268-M461 HydrophobicContact CE-CE 4.14Å; M268-M461 HydrophobicContact CE-SD 4.39Å; M268-M461 HydrophobicContact CG-CE 4.21Å; M268-L479 HydrophobicContact CB-CD1 4.24Å; M268-L479 HydrophobicContact CE-CB 3.72Å; M268-L479 HydrophobicContact CE-CD1 4.31Å; M268-L479 HydrophobicContact CE-CD2 3.47Å; M268-L479 VanDerWaalsContact CE-CD2 3.47Å; M268-L479 HydrophobicContact CE-CG 3.96Å; M268-L479 HydrophobicContact CG-CD1 4.04Å; M268-L479 HydrophobicContact SD-CB 3.56Å; M268-L479 VanDerWaalsContact SD-CB 3.56Å; M268-L479 HydrophobicContact SD-CD1 3.93Å; M268-L479 HydrophobicContact SD-CD2 4.19Å; M268-L479 HydrophobicContact SD-CG 4.05Å; M268-L482 HydrophobicContact CE-CB 4.46Å; M268-L482 HydrophobicContact CE-CD1 3.17Å; M268-L482 HydrophobicContact CE-CG 3.49Å; M268-L482 VanDerWaalsContact CE-CG 3.49Å; M268-L482 HydrophobicContact SD-CD1 3.7Å; M268-L482 HydrophobicContact SD-CG 4.28Å |
| 269 | C | 92.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -77.5 | 64.8 | 175.3 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | L264 Q267 Q274 N288 | L264-C269 HydrophobicContact CD1-CB 3.36Å; L264-C269 HydrophobicContact CG-CB 3.81Å; L264-C269 WeakPolarHBondContact O-CB 3.32Å; L264-C269 PolarHBondContact O-N 2.88Å; L264-C269 VanDerWaalsContact O-N 3.08Å; Q267-C269 PolarHBondContact O-N 3.28Å; C269-Q274 VanDerWaalsContact CA-OE1 3.29Å; C269-Q274 HydrophobicContact CB-CB 3.72Å; C269-N288 PolarHBondContact O-ND2 2.69Å | ||
| 270 | F | 92.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 19.2 Ų | 19.2 | 17% | 0.167 | 10% | 0.102 | C | C | . | . | trans | -91.1 | -13.9 | -178 | -62.5 | -51.3 | 0 | 0 | 0 | 114.2 | V265 M268 Y306 L308 M461 L474 L479 | V265-F270 HydrophobicContact CB-CE1 4.29Å; V265-F270 HydrophobicContact CG1-CE1 3.9Å; V265-F270 HydrophobicContact CG1-CZ 3.92Å; V265-F270 HydrophobicContact CG2-CE1 4.24Å; M268-F270 HydrophobicContact CB-CD2 4.25Å; M268-F270 HydrophobicContact CB-CE2 4.09Å; M268-F270 HydrophobicContact CG-CE2 4.34Å; M268-F270 PolarHBondContact O-N 3.39Å; F270-Y306 WeakPolarHBondContact CA-OH 3.01Å; F270-Y306 HydrophobicContact CD1-CE1 4.13Å; F270-Y306 AromaticContact CD1-CZ 3.89Å; F270-Y306 PolarHBondContact O-OH 3.28Å; F270-L308 HydrophobicContact CD1-CD1 4.46Å; F270-L308 HydrophobicContact CE1-CD1 4Å; F270-M461 HydrophobicContact CE2-CE 4.07Å; F270-M461 HydrophobicContact CZ-CE 3.9Å; F270-L474 HydrophobicContact CZ-CD2 4.47Å; F270-L479 HydrophobicContact CD2-CD1 4.1Å; F270-L479 HydrophobicContact CE2-CD1 3.81Å | ||
| 271 | Q | 90.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 22 Ų | 22 | 57% | 0.57 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -99.7 | 147.3 | 179.3 | -55.9 | -178.4 | -2.5 | 0 | 0 | 110.7 | G273 Q274 | Q271-G273 PolarHBondContact O-N 2.91Å; Q271-Q274 HydrophobicContact CB-CG 4.06Å; Q271-Q274 WeakPolarHBondContact O-CB 3.31Å; Q271-Q274 PolarHBondContact O-N 3.22Å; Q271-Q274 VanDerWaalsContact O-N 3.12Å |
| 272 | E | 90.9 | Very high | 92.1 | Very high | 107 Ų | 107 | 22.4 Ų | 22.4 | 50% | 0.5 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 134.7 | 176.1 | -170.4 | 179.4 | -170.7 | 0 | 0 | 111 | Q274 N288 I417 | E272-Q274 VanDerWaalsContact C-N 3.29Å; E272-Q274 PolarHBondContact O-N 3.05Å; E272-N288 WeakPolarHBondContact CA-O 3.45Å; E272-I417 HydrophobicContact CG-CD1 3.42Å; E272-I417 VanDerWaalsContact CG-CD1 3.42Å; E272-I417 WeakPolarHBondContact OE1-CD1 3.19Å |
| 273 | G | 89.4 | Confident | 91.7 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q271 N288 L419 | Q271-G273 PolarHBondContact O-N 2.91Å; G273-N288 PolarHBondContact N-O 3.41Å; G273-L419 WeakPolarHBondContact O-CD2 3.36Å |
| 274 | Q | 92.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | trans | -80.8 | 134.1 | 165.1 | -65.8 | -177 | -56.8 | 0 | 0 | 109.6 | M268 C269 Q271 E272 N288 | M268-Q274 PolarHBondContact O-OE1 3.37Å; C269-Q274 VanDerWaalsContact CA-OE1 3.29Å; C269-Q274 HydrophobicContact CB-CB 3.72Å; Q271-Q274 HydrophobicContact CB-CG 4.06Å; Q271-Q274 WeakPolarHBondContact O-CB 3.31Å; Q271-Q274 PolarHBondContact O-N 3.22Å; Q271-Q274 VanDerWaalsContact O-N 3.12Å; E272-Q274 VanDerWaalsContact C-N 3.29Å; E272-Q274 PolarHBondContact O-N 3.05Å; Q274-N288 PolarHBondContact O-N 3.35Å | ||
| 275 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L286 C287 L419 L422 Q423 | A275-L286 CarbonylContact C-O 3.55Å; A275-L286 WeakPolarHBondContact CA-O 3.02Å; A275-L286 VanDerWaalsContact CB-O 3.24Å; A275-L286 WeakPolarHBondContact CB-O 3.3Å; A275-C287 HydrophobicContact CB-CB 3.82Å; A275-L419 HydrophobicContact CB-CD2 3.39Å; A275-L422 HydrophobicContact CB-CD1 4.43Å; A275-Q423 PolarHBondContact O-N 3.35Å; A275-Q423 VanDerWaalsContact O-N 3.1Å; A275-Q423 PolarHBondContact O-OE1 3.38Å |
| 276 | K | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.2 | 171.1 | 70.7 | 85 | 172.5 | 174.8 | 0 | 111.8 | Q260 A263 L264 Q267 T278 L285 L286 Q423 | Q260-K276 WeakPolarHBondContact O-CE 3.3Å; Q260-K276 PolarHBondContact O-NZ 3.08Å; A263-K276 HydrophobicContact CB-CD 4.2Å; A263-K276 VanDerWaalsContact CB-NZ 3.35Å; L264-K276 HydrophobicContact CB-CG 4.26Å; L264-K276 HydrophobicContact CD1-CG 3.79Å; Q267-K276 HydrophobicContact CB-CB 4.14Å; Q267-K276 HydrophobicContact CG-CB 3.92Å; Q267-K276 HydrophobicContact CG-CG 4.3Å; K276-T278 PolarHBondContact NZ-OG1 3.48Å; K276-L285 WeakPolarHBondContact O-CA 3.35Å; K276-L285 WeakPolarHBondContact O-CD1 3.19Å; K276-L286 PolarHBondContact N-O 3.39Å; K276-L286 PolarHBondContact O-N 3.13Å; K276-Q423 CarbonylContact C-O 3.58Å; K276-Q423 WeakPolarHBondContact CA-O 3.35Å; K276-Q423 HydrophobicContact CB-CB 3.85Å |
| 277 | N | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.3 | 170.8 | -159.5 | 19.4 | 0 | 0 | 0 | 111.3 | Y279 C283 F284 L285 T404 L422 Q423 V424 D425 | N277-Y279 HydrophobicContact CB-CD2 4.41Å; N277-Y279 HydrophobicContact CB-CE2 3.76Å; N277-Y279 WeakPolarHBondContact ND2-CE2 3.34Å; N277-Y279 PolarHBondContact ND2-OH 3.09Å; N277-C283 WeakPolarHBondContact OD1-CB 3.46Å; N277-F284 WeakPolarHBondContact CA-O 3.37Å; N277-F284 PolarHBondContact OD1-O 3.05Å; N277-L285 HydrophobicContact CB-CD1 3.49Å; N277-L285 VanDerWaalsContact CB-CD1 3.49Å; N277-T404 WeakPolarHBondContact ND2-CG2 3.32Å; N277-T404 PolarHBondContact ND2-OG1 3.29Å; N277-L422 HydrophobicContact CB-CD1 4.16Å; N277-L422 HydrophobicContact CB-CD2 4.15Å; N277-L422 HydrophobicContact CB-CG 4.43Å; N277-Q423 PolarHBondContact N-O 2.9Å; N277-V424 HydrophobicContact CB-CG1 4.49Å; N277-V424 WeakPolarHBondContact O-CA 3.28Å; N277-D425 PolarHBondContact O-N 3.47Å |
| 278 | T | 93.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.1 | 173.3 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | Q260 K276 C283 F284 D425 | Q260-T278 PolarHBondContact OE1-OG1 3.19Å; K276-T278 PolarHBondContact NZ-OG1 3.48Å; T278-C283 VanDerWaalsContact O-CA 3.28Å; T278-C283 WeakPolarHBondContact O-CA 3.28Å; T278-F284 PolarHBondContact N-O 2.87Å; T278-F284 PolarHBondContact O-N 3.46Å; T278-F284 VanDerWaalsContact O-N 3.16Å; T278-D425 CarbonylContact C-O 3.58Å; T278-D425 WeakPolarHBondContact CA-O 3.29Å; T278-D425 WeakPolarHBondContact CA-OD1 3.32Å; T278-D425 WeakPolarHBondContact CB-OD1 3.25Å; T278-D425 VanDerWaalsContact CG2-OD1 3.26Å; T278-D425 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D425 PolarHBondContact OG1-OD1 3.38Å |
| 279 | Y | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 97 | 178.1 | -62.8 | -101.3 | 0 | 0 | 0 | 111.6 | N277 C283 V400 V424 D425 G426 G427 M428 T429 L434 M435 Q438 | N277-Y279 HydrophobicContact CB-CD2 4.41Å; N277-Y279 HydrophobicContact CB-CE2 3.76Å; N277-Y279 WeakPolarHBondContact ND2-CE2 3.34Å; N277-Y279 PolarHBondContact ND2-OH 3.09Å; Y279-C283 WeakPolarHBondContact CD1-SG 3.45Å; Y279-V400 HydrophobicContact CD1-CG1 3.96Å; Y279-V400 HydrophobicContact CE1-CG1 3.94Å; Y279-V424 HydrophobicContact CD2-CB 4.24Å; Y279-V424 HydrophobicContact CD2-CG1 4.5Å; Y279-V424 HydrophobicContact CE2-CB 3.82Å; Y279-V424 HydrophobicContact CE2-CG1 3.61Å; Y279-D425 PolarHBondContact N-O 3.15Å; Y279-G426 CarbonylContact O-C 3.55Å; Y279-G426 WeakPolarHBondContact O-CA 3.09Å; Y279-G427 PolarHBondContact O-N 2.83Å; Y279-M428 HydrophobicContact CG-CB 4.5Å; Y279-M428 PolarHBondContact O-N 2.93Å; Y279-T429 HydrophobicContact CD2-CG2 3.78Å; Y279-T429 HydrophobicContact CG-CG2 4.42Å; Y279-L434 HydrophobicContact CD1-CD2 4.13Å; Y279-L434 HydrophobicContact CE1-CD2 4.46Å; Y279-M435 HydrophobicContact CE2-CE 4.36Å; Y279-Q438 VanDerWaalsContact OH-CG 3.27Å; Y279-Q438 WeakPolarHBondContact OH-CG 3.4Å; Y279-Q438 PolarHBondContact OH-OE1 2.9Å |
| 280 | G | 88 | Confident | 92 | Very high | 31 Ų | 31 | 22.7 Ų | 22.7 | 32% | 0.32 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -118.8 | -139.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G282 G326 | G280-G282 VanDerWaalsContact C-N 3.28Å; G280-G282 CarbonylContact C-O 3.47Å; G280-G282 VanDerWaalsContact C-O 3.26Å; G280-G282 WeakPolarHBondContact CA-O 3.21Å; G280-G282 PolarHBondContact N-O 3.04Å; G280-G282 PolarHBondContact O-N 2.94Å; G280-G326 VanDerWaalsContact O-CA 3.25Å; G280-G326 WeakPolarHBondContact O-CA 3.33Å; G280-G326 PolarHBondContact O-N 3.43Å |
| 281 | T | 81.2 | Confident | 92.1 | Very high | 67 Ų | 67 | 29.3 Ų | 29.3 | 41% | 0.411 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -56.1 | -45.2 | 169.6 | -74.4 | 0 | 0 | 0 | 0 | 111.5 | A325 G326 A327 R330 | T281-A325 CarbonylContact O-C 3.6Å; T281-A325 PolarHBondContact O-N 3.37Å; T281-G326 PolarHBondContact O-N 2.86Å; T281-A327 HydrophobicContact CG2-CB 4.2Å; T281-A327 PolarHBondContact O-N 2.74Å; T281-R330 PolarHBondContact OG1-NH1 2.87Å; T281-R330 PolarHBondContact OG1-NH2 2.83Å |
| 282 | G | 86.1 | Confident | 92.1 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 7% | 0.072 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -112.6 | -178.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111 | G280 V322 A323 | G280-G282 VanDerWaalsContact C-N 3.28Å; G280-G282 CarbonylContact C-O 3.47Å; G280-G282 VanDerWaalsContact C-O 3.26Å; G280-G282 WeakPolarHBondContact CA-O 3.21Å; G280-G282 PolarHBondContact N-O 3.04Å; G280-G282 PolarHBondContact O-N 2.94Å; G282-V322 CarbonylContact C-O 3.6Å; G282-V322 WeakPolarHBondContact CA-O 3.16Å; G282-A323 VanDerWaalsContact CA-O 3.31Å; G282-A323 WeakPolarHBondContact CA-O 3.47Å |
| 283 | C | 88.9 | Confident | 92.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.8 | 167.9 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | N277 T278 Y279 S321 V322 A325 | N277-C283 WeakPolarHBondContact OD1-CB 3.46Å; T278-C283 VanDerWaalsContact O-CA 3.28Å; T278-C283 WeakPolarHBondContact O-CA 3.28Å; Y279-C283 WeakPolarHBondContact CD1-SG 3.45Å; C283-S321 CarbonylContact O-C 3.56Å; C283-S321 WeakPolarHBondContact O-CA 3.39Å; C283-V322 HydrophobicContact CB-CB 3.96Å; C283-V322 HydrophobicContact CB-CG2 4.23Å; C283-V322 PolarHBondContact N-O 3.48Å; C283-V322 PolarHBondContact O-N 3.44Å; C283-A325 HydrophobicContact CB-CB 4.41Å; C283-A325 WeakPolarHBondContact SG-CB 3.37Å |
| 284 | F | 91.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 26 Ų | 26 | 13% | 0.132 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 114.9 | 172.4 | -69.3 | -88.7 | 0 | 0 | 0 | 109.1 | W114 Q260 N277 T278 | W114-F284 HydrophobicContact CH2-CZ 4.1Å; Q260-F284 VanDerWaalsContact CD-CB 3.49Å; Q260-F284 HydrophobicContact CG-CB 3.96Å; Q260-F284 HydrophobicContact CG-CD1 4.36Å; Q260-F284 HydrophobicContact CG-CG 4.16Å; N277-F284 WeakPolarHBondContact CA-O 3.37Å; N277-F284 PolarHBondContact OD1-O 3.05Å; T278-F284 PolarHBondContact N-O 2.87Å; T278-F284 PolarHBondContact O-N 3.46Å; T278-F284 VanDerWaalsContact O-N 3.16Å |
| 285 | L | 93.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.5 | -177.2 | -170.7 | 84.1 | 0 | 0 | 0 | 109.3 | K276 N277 E319 G320 I407 L408 M411 L422 | K276-L285 WeakPolarHBondContact O-CA 3.35Å; K276-L285 WeakPolarHBondContact O-CD1 3.19Å; N277-L285 HydrophobicContact CB-CD1 3.49Å; N277-L285 VanDerWaalsContact CB-CD1 3.49Å; L285-E319 VanDerWaalsContact O-CA 3.29Å; L285-E319 WeakPolarHBondContact O-CA 3.42Å; L285-G320 PolarHBondContact N-O 3.47Å; L285-G320 PolarHBondContact O-N 2.94Å; L285-I407 HydrophobicContact CB-CG2 4.16Å; L285-I407 HydrophobicContact CD2-CB 3.99Å; L285-I407 HydrophobicContact CD2-CG2 3.49Å; L285-I407 VanDerWaalsContact CD2-CG2 3.49Å; L285-I407 HydrophobicContact CG-CG2 4.48Å; L285-L408 HydrophobicContact CD1-CD2 3.84Å; L285-L408 HydrophobicContact CD1-CG 4.26Å; L285-L408 HydrophobicContact CD2-CB 4.48Å; L285-L408 HydrophobicContact CD2-CD2 3.4Å; L285-L408 HydrophobicContact CD2-CG 3.55Å; L285-L408 HydrophobicContact CG-CD2 4.13Å; L285-M411 HydrophobicContact CB-CE 4.18Å; L285-M411 HydrophobicContact CD2-CE 3.63Å; L285-M411 HydrophobicContact CD2-SD 3.35Å; L285-M411 WeakPolarHBondContact CD2-SD 3.42Å; L285-M411 HydrophobicContact CG-CE 3.99Å; L285-M411 HydrophobicContact CG-SD 4.04Å; L285-M411 VanDerWaalsContact O-CE 3.28Å; L285-M411 WeakPolarHBondContact O-CE 3.31Å; L285-L422 HydrophobicContact CD1-CD1 3.69Å |
| 286 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.1 | 175.3 | -82.2 | 73.9 | 0 | 0 | 0 | 109.4 | Q260 L264 A275 K276 L318 E319 | Q260-L286 HydrophobicContact CB-CD1 3.6Å; Q260-L286 HydrophobicContact CB-CD2 3.94Å; Q260-L286 HydrophobicContact CB-CG 4.46Å; Q260-L286 HydrophobicContact CG-CD1 4.28Å; L264-L286 HydrophobicContact CD1-CB 4.09Å; L264-L286 HydrophobicContact CD2-CB 4.48Å; A275-L286 CarbonylContact C-O 3.55Å; A275-L286 WeakPolarHBondContact CA-O 3.02Å; A275-L286 VanDerWaalsContact CB-O 3.24Å; A275-L286 WeakPolarHBondContact CB-O 3.3Å; K276-L286 PolarHBondContact N-O 3.39Å; K276-L286 PolarHBondContact O-N 3.13Å; L286-L318 WeakPolarHBondContact CA-O 3.44Å; L286-E319 HydrophobicContact CD1-CB 4.31Å; L286-E319 HydrophobicContact CD1-CG 3.78Å; L286-E319 HydrophobicContact CG-CB 4.13Å; L286-E319 HydrophobicContact CG-CG 4.16Å |
| 287 | C | 95.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.7 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | A275 T289 A317 L318 M411 | A275-C287 HydrophobicContact CB-CB 3.82Å; C287-T289 PolarHBondContact O-N 2.99Å; C287-A317 CarbonylContact O-C 3.58Å; C287-A317 WeakPolarHBondContact O-CA 3.36Å; C287-A317 VanDerWaalsContact O-CB 3.29Å; C287-A317 WeakPolarHBondContact O-CB 3.36Å; C287-L318 PolarHBondContact N-O 3.49Å; C287-L318 PolarHBondContact O-N 3.47Å; C287-M411 HydrophobicContact CB-CE 4.47Å; C287-M411 HydrophobicContact CB-SD 3.49Å; C287-M411 WeakPolarHBondContact CB-SD 3.32Å |
| 288 | N | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 120 | 177.3 | -173.3 | -31.9 | 0 | 0 | 0 | 110 | L264 C269 E272 G273 Q274 G290 Y306 | L264-N288 HydrophobicContact CD2-CB 4.5Å; C269-N288 PolarHBondContact O-ND2 2.69Å; E272-N288 WeakPolarHBondContact CA-O 3.45Å; G273-N288 PolarHBondContact N-O 3.41Å; Q274-N288 PolarHBondContact O-N 3.35Å; N288-G290 VanDerWaalsContact OD1-CA 3.32Å; N288-G290 WeakPolarHBondContact OD1-CA 3.11Å; N288-G290 PolarHBondContact OD1-N 2.7Å; N288-Y306 PolarHBondContact ND2-OH 3.36Å |
| 289 | T | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -101.4 | 20.1 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | C287 K292 V294 Y316 L318 C415 | C287-T289 PolarHBondContact O-N 2.99Å; T289-K292 PolarHBondContact O-N 2.75Å; T289-K292 PolarHBondContact OG1-O 3.24Å; T289-V294 HydrophobicContact CG2-CB 4.28Å; T289-V294 HydrophobicContact CG2-CG2 4.09Å; T289-Y316 PolarHBondContact N-O 2.94Å; T289-Y316 WeakPolarHBondContact OG1-CB 3.39Å; T289-Y316 PolarHBondContact OG1-O 2.94Å; T289-L318 HydrophobicContact CG2-CG 4.08Å; T289-C415 WeakPolarHBondContact CG2-SG 3.48Å | ||
| 290 | G | 94.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -137.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N288 K292 Y315 Y316 | N288-G290 VanDerWaalsContact OD1-CA 3.32Å; N288-G290 WeakPolarHBondContact OD1-CA 3.11Å; N288-G290 PolarHBondContact OD1-N 2.7Å; G290-K292 VanDerWaalsContact C-N 3.28Å; G290-Y315 CarbonylContact O-C 3.56Å; G290-Y315 VanDerWaalsContact O-CA 3.27Å; G290-Y315 WeakPolarHBondContact O-CA 3.48Å; G290-Y316 PolarHBondContact O-N 2.75Å |
| 291 | R | 95.1 | Very high | 91.1 | Very high | 178 Ų | 178 | 39.4 Ų | 39.4 | 67% | 0.672 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.9 | 178.4 | -63 | 177.6 | 62.6 | -172.5 | 0.1 | 113 | P313 | R291-P313 HydrophobicContact CG-CB 4.48Š|
| 292 | K | 91.5 | Very high | 91.8 | Very high | 130 Ų | 130 | 36.2 Ų | 36.2 | 57% | 0.565 | 17% | 0.173 | S | C | * | . | trans | -90.8 | 121 | -176.6 | -173.5 | -176.9 | 176.3 | -169.3 | 0 | 109.3 | T289 G290 V294 | T289-K292 PolarHBondContact O-N 2.75Å; T289-K292 PolarHBondContact OG1-O 3.24Å; G290-K292 VanDerWaalsContact C-N 3.28Å; K292-V294 HydrophobicContact CD-CG2 4.03Å; K292-V294 HydrophobicContact CG-CG2 4.07Å; K292-V294 PolarHBondContact O-N 3.13Å | ||
| 293 | C | 93.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 19% | 0.189 | 17% | 0.169 | C | C | . | . | trans | -72.1 | 106.4 | 166.1 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | T302 Y316 | C293-T302 VanDerWaalsContact SG-CG2 3.51Å; C293-Y316 HydrophobicContact CB-CD1 3.95Å; C293-Y316 HydrophobicContact CB-CD2 4.36Å; C293-Y316 HydrophobicContact CB-CE1 3.92Å; C293-Y316 HydrophobicContact CB-CE2 4.34Å; C293-Y316 HydrophobicContact CB-CG 4.17Å | ||
| 294 | V | 93.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 122.5 | 178.1 | 177 | 0 | 0 | 0 | 0 | 108.8 | T289 K292 T302 L318 D414 | T289-V294 HydrophobicContact CG2-CB 4.28Å; T289-V294 HydrophobicContact CG2-CG2 4.09Å; K292-V294 HydrophobicContact CD-CG2 4.03Å; K292-V294 HydrophobicContact CG-CG2 4.07Å; K292-V294 PolarHBondContact O-N 3.13Å; V294-T302 WeakPolarHBondContact O-CB 3.47Å; V294-T302 WeakPolarHBondContact O-CG2 3.37Å; V294-T302 PolarHBondContact O-OG1 3.41Å; V294-L318 HydrophobicContact CB-CD2 4.43Å; V294-L318 HydrophobicContact CB-CG 4.47Å; V294-L318 HydrophobicContact CG1-CD1 4.11Å; V294-L318 HydrophobicContact CG1-CD2 4.38Å; V294-L318 HydrophobicContact CG1-CG 4.4Å; V294-L318 VanDerWaalsContact O-CD2 3.27Å; V294-L318 WeakPolarHBondContact O-CD2 3.06Å; V294-D414 HydrophobicContact CG1-CB 4.28Å; V294-D414 WeakPolarHBondContact CG1-O 3.15Å |
| 295 | F | 92.5 | Very high | 93.1 | Very high | 78 Ų | 78 | 34.4 Ų | 34.4 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -89.6 | 130.2 | 173.8 | -74.1 | -80.1 | 0 | 0 | 0 | 110.8 | K138 S139 H211 T302 | K138-F295 VanDerWaalsContact O-CE1 3.24Å; K138-F295 WeakPolarHBondContact O-CE1 3.5Å; S139-F295 WeakPolarHBondContact O-CZ 3.29Å; H211-F295 AromaticContact CE1-CE2 3.7Å; H211-F295 AromaticContact CE1-CZ 3.54Å; H211-F295 AromaticContact NE2-CZ 3.59Å; F295-T302 WeakPolarHBondContact CA-OG1 3.29Å |
| 296 | S | 89.3 | Confident | 93.3 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 131.7 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | K138 H298 G299 L300 D414 | K138-S296 PolarHBondContact NZ-O 2.98Å; S296-H298 PolarHBondContact OG-N 2.7Å; S296-G299 PolarHBondContact OG-N 3Å; S296-L300 WeakPolarHBondContact CB-O 3.48Å; S296-L300 WeakPolarHBondContact OG-CB 3.4Å; S296-L300 PolarHBondContact OG-N 3.4Å; S296-D414 WeakPolarHBondContact CA-OD2 3.27Å; S296-D414 WeakPolarHBondContact CB-OD2 3.43Å; S296-D414 PolarHBondContact OG-OD2 3.28Å |
| 297 | E | 85.9 | Confident | 93.5 | Very high | 178 Ų | 178 | 36.3 Ų | 36.3 | 83% | 0.832 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -95.2 | -6.3 | 165.6 | -63 | -173 | 165.3 | 0 | 0 | 111.8 | D414 | E297-D414 PolarHBondContact N-OD1 3.28Š|
| 298 | H | 87.3 | Confident | 93.6 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -111.5 | 24.7 | -174.7 | -60.4 | 85.3 | 0 | 0 | 0 | 113.4 | S296 A410 D414 | S296-H298 PolarHBondContact OG-N 2.7Å; H298-A410 HydrophobicContact CB-CB 3.88Å; H298-D414 IonicContact CE1-OD1 3.66Å; H298-D414 IonicContact CG-OD1 2.85Å; H298-D414 IonicContact ND1-OD1 2.74Å; H298-D414 PolarHBondContact ND1-OD1 2.84Å; H298-D414 IonicContact ND1-OD2 2.98Å |
| 299 | G | 81.6 | Confident | 93.6 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 79.4 | 15.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S296 W372 | S296-G299 PolarHBondContact OG-N 3Å; G299-W372 PolarHBondContact O-NE1 2.87Å |
| 300 | L | 91.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 164.9 | 172.3 | -51.2 | 174.4 | 0 | 0 | 0 | 111.6 | S296 L318 A369 I407 A410 M411 | S296-L300 WeakPolarHBondContact CB-O 3.48Å; S296-L300 WeakPolarHBondContact OG-CB 3.4Å; S296-L300 PolarHBondContact OG-N 3.4Å; L300-L318 HydrophobicContact CD1-CB 4.46Å; L300-L318 HydrophobicContact CD1-CD1 4.1Å; L300-A369 HydrophobicContact CD2-CB 4.21Å; L300-I407 HydrophobicContact CD2-CD1 4.44Å; L300-I407 HydrophobicContact CD2-CG2 3.83Å; L300-A410 HydrophobicContact CD1-CB 4.05Å; L300-A410 HydrophobicContact CD2-CB 4.34Å; L300-A410 HydrophobicContact CG-CB 4.28Å; L300-M411 HydrophobicContact CD1-CB 4.1Å; L300-M411 HydrophobicContact CD1-CE 4.47Å; L300-M411 HydrophobicContact CD1-CG 3.31Å |
| 301 | L | 93.1 | Very high | 93.6 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.6 | 174.6 | -52.7 | -179.1 | 0 | 0 | 0 | 110 | L143 P144 F149 L318 E319 | L143-L301 HydrophobicContact CD2-CB 4.33Å; L143-L301 HydrophobicContact CD2-CD1 4.5Å; L143-L301 HydrophobicContact CD2-CD2 4.4Å; P144-L301 HydrophobicContact CG-CD2 3.96Å; F149-L301 HydrophobicContact CE1-CD1 4.44Å; F149-L301 HydrophobicContact CZ-CD1 4.15Å; F149-L301 HydrophobicContact CZ-CD2 4.15Å; L301-L318 CarbonylContact O-C 3.59Å; L301-L318 WeakPolarHBondContact O-CA 3.4Å; L301-E319 HydrophobicContact CB-CB 4.21Å; L301-E319 PolarHBondContact N-O 3.43Å; L301-E319 PolarHBondContact O-N 3.27Å |
| 302 | T | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131 | 165.4 | -55 | 0 | 0 | 0 | 0 | 108.4 | G142 I210 C293 V294 F295 | G142-T302 CarbonylContact C-O 3.33Å; G142-T302 WeakPolarHBondContact CA-O 3.36Å; G142-T302 PolarHBondContact O-N 3Å; G142-T302 VanDerWaalsContact O-N 3.09Å; I210-T302 HydrophobicContact CD1-CG2 3.86Å; C293-T302 VanDerWaalsContact SG-CG2 3.51Å; V294-T302 WeakPolarHBondContact O-CB 3.47Å; V294-T302 WeakPolarHBondContact O-CG2 3.37Å; V294-T302 PolarHBondContact O-OG1 3.41Å; F295-T302 WeakPolarHBondContact CA-OG1 3.29Å |
| 303 | T | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 171.5 | -175.8 | -163.1 | 0 | 0 | 0 | 0 | 111.9 | S203 R204 Y316 A317 E319 | S203-T303 PolarHBondContact OG-OG1 3.03Å; R204-T303 WeakPolarHBondContact CD-OG1 3.37Å; R204-T303 VanDerWaalsContact NH1-CB 3.26Å; R204-T303 PolarHBondContact NH1-OG1 3.32Å; T303-Y316 CarbonylContact O-C 3.57Å; T303-Y316 WeakPolarHBondContact O-CA 3.4Å; T303-A317 HydrophobicContact CG2-CB 4.1Å; T303-A317 PolarHBondContact N-O 2.84Å; T303-A317 PolarHBondContact O-N 3Å; T303-E319 HydrophobicContact CG2-CB 4.32Å |
| 304 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.1 | 173.4 | -62.1 | 175.5 | 0 | 0 | 0 | 108.1 | V199 T200 F208 I210 L213 C261 Y316 | V199-I304 HydrophobicContact CB-CD1 4.13Å; V199-I304 HydrophobicContact CB-CG2 4.27Å; V199-I304 HydrophobicContact CG2-CG2 3.82Å; T200-I304 HydrophobicContact CG2-CG2 4.35Å; F208-I304 HydrophobicContact CD1-CD1 4.36Å; F208-I304 HydrophobicContact CE1-CD1 3.72Å; I210-I304 HydrophobicContact CB-CD1 4.17Å; I210-I304 HydrophobicContact CB-CG1 4.16Å; I210-I304 HydrophobicContact CG2-CD1 4.14Å; I210-I304 HydrophobicContact CG2-CG1 4.15Å; L213-I304 HydrophobicContact CD2-CD1 3.38Å; L213-I304 HydrophobicContact CD2-CG1 4.48Å; C261-I304 PolarHBondContact SG-O 2.55Å; C261-I304 VanDerWaalsContact SG-O 3.38Å; I304-Y316 HydrophobicContact CG1-CD1 4.26Å; I304-Y316 HydrophobicContact CG1-CE1 4.1Å |
| 305 | A | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -50.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T200 C261 L264 Y315 A317 | T200-A305 WeakPolarHBondContact CG2-O 3.35Å; C261-A305 VanDerWaalsContact CB-O 3.27Å; C261-A305 WeakPolarHBondContact CB-O 3.47Å; L264-A305 HydrophobicContact CD2-CB 3.76Å; A305-Y315 WeakPolarHBondContact CB-O 3.47Å; A305-Y315 PolarHBondContact N-O 3.17Å; A305-A317 HydrophobicContact CB-CB 3.98Å |
| 306 | Y | 98.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 161.4 | 178.8 | 48.8 | -100.5 | 0 | 0 | 0 | 110.7 | V265 F270 N288 L308 Y315 | V265-Y306 HydrophobicContact CG2-CD1 3.61Å; V265-Y306 HydrophobicContact CG2-CE1 4.34Å; V265-Y306 HydrophobicContact CG2-CG 4.06Å; F270-Y306 WeakPolarHBondContact CA-OH 3.01Å; F270-Y306 HydrophobicContact CD1-CE1 4.13Å; F270-Y306 AromaticContact CD1-CZ 3.89Å; F270-Y306 PolarHBondContact O-OH 3.28Å; N288-Y306 PolarHBondContact ND2-OH 3.36Å; Y306-L308 HydrophobicContact CD2-CD1 3.73Å; Y306-L308 HydrophobicContact CD2-CG 3.7Å; Y306-L308 HydrophobicContact CE2-CD1 3.93Å; Y306-L308 HydrophobicContact CE2-CG 4.38Å; Y306-L308 HydrophobicContact CG-CD1 4.33Å; Y306-L308 HydrophobicContact CG-CG 4.22Å; Y306-Y315 HydrophobicContact CD2-CD2 4.07Å; Y306-Y315 HydrophobicContact CD2-CG 4.15Å; Y306-Y315 VanDerWaalsContact CE2-CB 3.49Å; Y306-Y315 HydrophobicContact CE2-CD1 4.01Å; Y306-Y315 AromaticContact CE2-CD2 3.41Å; Y306-Y315 HydrophobicContact CE2-CD2 3.41Å; Y306-Y315 VanDerWaalsContact CE2-CD2 3.41Å; Y306-Y315 HydrophobicContact CE2-CE2 4.11Å; Y306-Y315 AromaticContact CE2-CG 3.36Å; Y306-Y315 HydrophobicContact CE2-CG 3.36Å; Y306-Y315 AromaticContact CZ-CD1 3.92Å; Y306-Y315 AromaticContact CZ-CG 3.67Å; Y306-Y315 PolarHBondContact N-O 3.48Å; Y306-Y315 PolarHBondContact O-N 2.96Å; Y306-Y315 WeakPolarHBondContact OH-CD1 3.41Å |
| 307 | K | 98.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 45 Ų | 45 | 17% | 0.17 | 22% | 0.219 | C | C | . | . | trans | -133.4 | 100.7 | 162.2 | -176 | -176.2 | 176.8 | -170.1 | 0 | 108.6 | V199 L213 S235 S236 G309 K310 K312 A314 | V199-K307 HydrophobicContact CG1-CD 4.42Å; V199-K307 HydrophobicContact CG2-CB 3.6Å; L213-K307 HydrophobicContact CD1-CD 4.37Å; S235-K307 CarbonylContact C-O 3.34Å; S235-K307 WeakPolarHBondContact CB-O 3.49Å; S236-K307 WeakPolarHBondContact CA-O 3.37Å; S236-K307 WeakPolarHBondContact CB-O 3.48Å; S236-K307 PolarHBondContact N-O 2.89Å; S236-K307 PolarHBondContact OG-N 2.61Å; K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 WeakPolarHBondContact CE-O 3.22Å; K307-G309 PolarHBondContact O-N 3.32Å; K307-K310 WeakPolarHBondContact CE-O 3.44Å; K307-K310 PolarHBondContact NZ-O 3.17Å; K307-K312 WeakPolarHBondContact CE-O 3.27Å; K307-A314 HydrophobicContact CB-CB 4.38Å | ||
| 308 | L | 97.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | trans | -87.7 | 58.6 | -169.4 | -64.2 | 167.9 | 0 | 0 | 0 | 112.4 | F270 Y306 K312 A462 L474 | F270-L308 HydrophobicContact CD1-CD1 4.46Å; F270-L308 HydrophobicContact CE1-CD1 4Å; Y306-L308 HydrophobicContact CD2-CD1 3.73Å; Y306-L308 HydrophobicContact CD2-CG 3.7Å; Y306-L308 HydrophobicContact CE2-CD1 3.93Å; Y306-L308 HydrophobicContact CE2-CG 4.38Å; Y306-L308 HydrophobicContact CG-CD1 4.33Å; Y306-L308 HydrophobicContact CG-CG 4.22Å; L308-K312 WeakPolarHBondContact O-CG 3.25Å; L308-A462 HydrophobicContact CD2-CB 4.14Å; L308-L474 HydrophobicContact CD1-CD1 3.74Å; L308-L474 HydrophobicContact CD2-CD1 4.35Å; L308-L474 HydrophobicContact CG-CD1 4.46Å | ||
| 309 | G | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 133.3 | 149.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S235 S237 K307 E311 K312 | S235-G309 VanDerWaalsContact CB-C 3.43Å; S235-G309 WeakPolarHBondContact CB-O 3.37Å; S235-G309 VanDerWaalsContact OG-C 3.24Å; S235-G309 WeakPolarHBondContact OG-CA 3.28Å; S237-G309 WeakPolarHBondContact O-CA 3.29Å; K307-G309 VanDerWaalsContact C-N 3.27Å; K307-G309 WeakPolarHBondContact CE-O 3.22Å; K307-G309 PolarHBondContact O-N 3.32Å; G309-E311 PolarHBondContact O-N 3.26Å; G309-K312 PolarHBondContact O-N 3.32Å; G309-K312 VanDerWaalsContact O-N 3.12Å |
| 310 | K | 94.8 | Very high | 96.1 | Very high | 127 Ų | 127 | 32.7 Ų | 32.7 | 55% | 0.552 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -47.9 | -175 | -175.7 | 178.2 | 174.8 | 174 | 0 | 113.5 | S235 K307 | S235-K310 PolarHBondContact OG-N 3.39Å; K307-K310 WeakPolarHBondContact CE-O 3.44Å; K307-K310 PolarHBondContact NZ-O 3.17Å |
| 311 | E | 94.9 | Very high | 95.8 | Very high | 163 Ų | 163 | 33.7 Ų | 33.7 | 76% | 0.762 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.4 | -178.6 | -55.8 | -54.5 | 139.2 | 0 | 0 | 113.2 | G309 | G309-E311 PolarHBondContact O-N 3.26Š|
| 312 | K | 95.5 | Very high | 95.3 | Very high | 134 Ų | 134 | 33.5 Ų | 33.5 | 58% | 0.583 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -86.2 | 149.9 | 177.3 | -63.1 | -64.9 | -172.6 | 174 | 0 | 110.4 | K307 L308 G309 | K307-K312 WeakPolarHBondContact CE-O 3.27Å; L308-K312 WeakPolarHBondContact O-CG 3.25Å; G309-K312 PolarHBondContact O-N 3.32Å; G309-K312 VanDerWaalsContact O-N 3.12Å |
| 313 | P | 96.8 | Very high | 94.3 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 32% | 0.318 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 149.8 | 176.5 | 28.5 | -34 | 0 | 0 | 0 | 111.1 | R291 Y315 | R291-P313 HydrophobicContact CG-CB 4.48Å; P313-Y315 HydrophobicContact CG-CE2 4.02Å |
| 314 | A | 97.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 143.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L213 K307 | L213-A314 HydrophobicContact CD1-CB 3.85Å; L213-A314 HydrophobicContact CD2-CB 4.28Å; K307-A314 HydrophobicContact CB-CB 4.38Å |
| 315 | Y | 98.1 | Very high | 93 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.8 | 170.1 | -76.1 | -112.6 | 0 | 0 | 0 | 108.8 | G290 A305 Y306 P313 | G290-Y315 CarbonylContact O-C 3.56Å; G290-Y315 VanDerWaalsContact O-CA 3.27Å; G290-Y315 WeakPolarHBondContact O-CA 3.48Å; A305-Y315 WeakPolarHBondContact CB-O 3.47Å; A305-Y315 PolarHBondContact N-O 3.17Å; Y306-Y315 HydrophobicContact CD2-CD2 4.07Å; Y306-Y315 HydrophobicContact CD2-CG 4.15Å; Y306-Y315 VanDerWaalsContact CE2-CB 3.49Å; Y306-Y315 HydrophobicContact CE2-CD1 4.01Å; Y306-Y315 AromaticContact CE2-CD2 3.41Å; Y306-Y315 HydrophobicContact CE2-CD2 3.41Å; Y306-Y315 VanDerWaalsContact CE2-CD2 3.41Å; Y306-Y315 HydrophobicContact CE2-CE2 4.11Å; Y306-Y315 AromaticContact CE2-CG 3.36Å; Y306-Y315 HydrophobicContact CE2-CG 3.36Å; Y306-Y315 AromaticContact CZ-CD1 3.92Å; Y306-Y315 AromaticContact CZ-CG 3.67Å; Y306-Y315 PolarHBondContact N-O 3.48Å; Y306-Y315 PolarHBondContact O-N 2.96Å; Y306-Y315 WeakPolarHBondContact OH-CD1 3.41Å; P313-Y315 HydrophobicContact CG-CE2 4.02Å |
| 316 | Y | 98 | Very high | 92.5 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 162 | -176.6 | -64.4 | -93.3 | 0 | 0 | 0 | 110.9 | I210 T289 G290 C293 T303 I304 | I210-Y316 HydrophobicContact CB-CE1 4.26Å; I210-Y316 HydrophobicContact CD1-CE1 4.34Å; I210-Y316 HydrophobicContact CG1-CE1 4.46Å; I210-Y316 WeakPolarHBondContact O-CE1 3.43Å; I210-Y316 PolarHBondContact O-OH 2.68Å; T289-Y316 PolarHBondContact N-O 2.94Å; T289-Y316 WeakPolarHBondContact OG1-CB 3.39Å; T289-Y316 PolarHBondContact OG1-O 2.94Å; G290-Y316 PolarHBondContact O-N 2.75Å; C293-Y316 HydrophobicContact CB-CD1 3.95Å; C293-Y316 HydrophobicContact CB-CD2 4.36Å; C293-Y316 HydrophobicContact CB-CE1 3.92Å; C293-Y316 HydrophobicContact CB-CE2 4.34Å; C293-Y316 HydrophobicContact CB-CG 4.17Å; T303-Y316 CarbonylContact O-C 3.57Å; T303-Y316 WeakPolarHBondContact O-CA 3.4Å; I304-Y316 HydrophobicContact CG1-CD1 4.26Å; I304-Y316 HydrophobicContact CG1-CE1 4.1Å |
| 317 | A | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C287 T303 A305 | C287-A317 CarbonylContact O-C 3.58Å; C287-A317 WeakPolarHBondContact O-CA 3.36Å; C287-A317 VanDerWaalsContact O-CB 3.29Å; C287-A317 WeakPolarHBondContact O-CB 3.36Å; T303-A317 HydrophobicContact CG2-CB 4.1Å; T303-A317 PolarHBondContact N-O 2.84Å; T303-A317 PolarHBondContact O-N 3Å; A305-A317 HydrophobicContact CB-CB 3.98Å |
| 318 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.1 | 153.4 | -72.6 | -175.8 | 0 | 0 | 0 | 108.9 | L286 C287 T289 V294 L300 L301 M411 D414 C415 | L286-L318 WeakPolarHBondContact CA-O 3.44Å; C287-L318 PolarHBondContact N-O 3.49Å; C287-L318 PolarHBondContact O-N 3.47Å; T289-L318 HydrophobicContact CG2-CG 4.08Å; V294-L318 HydrophobicContact CB-CD2 4.43Å; V294-L318 HydrophobicContact CB-CG 4.47Å; V294-L318 HydrophobicContact CG1-CD1 4.11Å; V294-L318 HydrophobicContact CG1-CD2 4.38Å; V294-L318 HydrophobicContact CG1-CG 4.4Å; V294-L318 VanDerWaalsContact O-CD2 3.27Å; V294-L318 WeakPolarHBondContact O-CD2 3.06Å; L300-L318 HydrophobicContact CD1-CB 4.46Å; L300-L318 HydrophobicContact CD1-CD1 4.1Å; L301-L318 CarbonylContact O-C 3.59Å; L301-L318 WeakPolarHBondContact O-CA 3.4Å; L318-M411 HydrophobicContact CB-CE 4.25Å; L318-M411 HydrophobicContact CB-CG 4.22Å; L318-M411 HydrophobicContact CD1-CG 4.47Å; L318-M411 VanDerWaalsContact O-CE 3.25Å; L318-M411 WeakPolarHBondContact O-CE 3.46Å; L318-D414 HydrophobicContact CD1-CB 3.55Å; L318-C415 WeakPolarHBondContact CD1-SG 3.39Å |
| 319 | E | 94.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133 | 177.2 | 175.9 | 179.3 | 163.3 | 0 | 0 | 110.4 | R94 R204 L285 L286 L301 T303 | R94-E319 IonicContact CZ-OE1 2.82Å; R94-E319 IonicContact CZ-OE2 2.73Å; R94-E319 IonicContact NH1-OE1 2.98Å; R94-E319 PolarHBondContact NH1-OE1 3.15Å; R94-E319 IonicContact NH1-OE2 3.9Å; R94-E319 PolarHBondContact NH1-OE2 3.35Å; R94-E319 IonicContact NH2-OE1 3Å; R94-E319 PolarHBondContact NH2-OE1 3.01Å; R94-E319 IonicContact NH2-OE2 2.91Å; R204-E319 IonicContact CZ-OE2 3.32Å; R204-E319 IonicContact NH1-OE2 3.84Å; R204-E319 PolarHBondContact NH1-OE2 3.01Å; R204-E319 IonicContact NH2-OE1 2.69Å; R204-E319 PolarHBondContact NH2-OE1 3.19Å; R204-E319 IonicContact NH2-OE2 2.77Å; R204-E319 PolarHBondContact NH2-OE2 3.47Å; L285-E319 VanDerWaalsContact O-CA 3.29Å; L285-E319 WeakPolarHBondContact O-CA 3.42Å; L286-E319 HydrophobicContact CD1-CB 4.31Å; L286-E319 HydrophobicContact CD1-CG 3.78Å; L286-E319 HydrophobicContact CG-CB 4.13Å; L286-E319 HydrophobicContact CG-CG 4.16Å; L301-E319 HydrophobicContact CB-CB 4.21Å; L301-E319 PolarHBondContact N-O 3.43Å; L301-E319 PolarHBondContact O-N 3.27Å; T303-E319 HydrophobicContact CG2-CB 4.32Å |
| 320 | G | 91.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L285 | L285-G320 PolarHBondContact N-O 3.47Å; L285-G320 PolarHBondContact O-N 2.94Å |
| 321 | S | 84.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 35 Ų | 35 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.5 | -178.7 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | C283 | C283-S321 CarbonylContact O-C 3.56Å; C283-S321 WeakPolarHBondContact O-CA 3.39Å |
| 322 | V | 82.8 | Confident | 90.7 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 111.5 | 170.6 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | G282 C283 I324 Q403 I407 | G282-V322 CarbonylContact C-O 3.6Å; G282-V322 WeakPolarHBondContact CA-O 3.16Å; C283-V322 HydrophobicContact CB-CB 3.96Å; C283-V322 HydrophobicContact CB-CG2 4.23Å; C283-V322 PolarHBondContact N-O 3.48Å; C283-V322 PolarHBondContact O-N 3.44Å; V322-I324 VanDerWaalsContact C-N 3.31Å; V322-I324 PolarHBondContact O-N 3.29Å; V322-Q403 HydrophobicContact CB-CB 4.49Å; V322-Q403 HydrophobicContact CG1-CB 3.7Å; V322-Q403 HydrophobicContact CG1-CG 4.12Å; V322-Q403 HydrophobicContact CG2-CB 3.93Å; V322-I407 HydrophobicContact CG2-CG1 3.92Å |
| 323 | A | 73.9 | Confident | 90.6 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -66.1 | -34.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G282 Y368 | G282-A323 VanDerWaalsContact CA-O 3.31Å; G282-A323 WeakPolarHBondContact CA-O 3.47Å; A323-Y368 HydrophobicContact CB-CD2 3.31Å; A323-Y368 HydrophobicContact CB-CE2 3.01Å; A323-Y368 HydrophobicContact CB-CG 4.25Å |
| 324 | I | 81.7 | Confident | 90.1 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.108 | 13% | 0.132 | C | C | . | . | trans | -113.3 | 97.2 | -174.4 | -50.7 | -59.4 | 0 | 0 | 0 | 110.1 | V322 A327 V328 P362 F364 Q403 | V322-I324 VanDerWaalsContact C-N 3.31Å; V322-I324 PolarHBondContact O-N 3.29Å; I324-A327 HydrophobicContact CD1-CB 4.07Å; I324-A327 HydrophobicContact CG2-CB 3.97Å; I324-V328 HydrophobicContact CG2-CB 4.06Å; I324-P362 HydrophobicContact CB-CB 4.38Å; I324-P362 VanDerWaalsContact CB-O 3.28Å; I324-P362 WeakPolarHBondContact CB-O 3.15Å; I324-P362 VanDerWaalsContact CG1-O 3.31Å; I324-P362 WeakPolarHBondContact CG1-O 3.48Å; I324-P362 HydrophobicContact CG2-CB 3.77Å; I324-P362 HydrophobicContact CG2-CG 4.31Å; I324-P362 WeakPolarHBondContact CG2-O 3.28Å; I324-F364 HydrophobicContact CD1-CB 4.35Å; I324-F364 HydrophobicContact CD1-CD2 4.16Å; I324-F364 HydrophobicContact CG1-CB 4.41Å; I324-F364 HydrophobicContact CG1-CD2 4.23Å; I324-F364 HydrophobicContact CG2-CD2 3.63Å; I324-F364 HydrophobicContact CG2-CE2 3.73Å; I324-Q403 PolarHBondContact O-NE2 3.17Å | ||
| 325 | A | 88.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -119 | -92.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T281 C283 A327 V328 V400 M428 | T281-A325 CarbonylContact O-C 3.6Å; T281-A325 PolarHBondContact O-N 3.37Å; C283-A325 HydrophobicContact CB-CB 4.41Å; C283-A325 WeakPolarHBondContact SG-CB 3.37Å; A325-A327 PolarHBondContact O-N 3.29Å; A325-A327 VanDerWaalsContact O-N 3.09Å; A325-V328 WeakPolarHBondContact O-CG1 3.48Å; A325-V328 PolarHBondContact O-N 3.23Å; A325-V400 HydrophobicContact CB-CG1 3.93Å; A325-V400 HydrophobicContact CB-CG2 4.39Å; A325-M428 HydrophobicContact CB-SD 4.08Å |
| 326 | G | 86.8 | Confident | 89.4 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -21.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G280 T281 V328 I329 R330 M428 | G280-G326 VanDerWaalsContact O-CA 3.25Å; G280-G326 WeakPolarHBondContact O-CA 3.33Å; G280-G326 PolarHBondContact O-N 3.43Å; T281-G326 PolarHBondContact O-N 2.86Å; G326-V328 VanDerWaalsContact C-N 3.26Å; G326-V328 PolarHBondContact O-N 3.45Å; G326-I329 PolarHBondContact O-N 3.45Å; G326-R330 PolarHBondContact O-N 3.07Å; G326-R330 VanDerWaalsContact O-N 3.08Å; G326-M428 WeakPolarHBondContact CA-SD 3.45Å; G326-M428 PolarHBondContact N-SD 2.79Å |
| 327 | A | 85.9 | Confident | 89.2 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -33.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T281 I324 A325 I329 R330 W331 | T281-A327 HydrophobicContact CG2-CB 4.2Å; T281-A327 PolarHBondContact O-N 2.74Å; I324-A327 HydrophobicContact CD1-CB 4.07Å; I324-A327 HydrophobicContact CG2-CB 3.97Å; A325-A327 PolarHBondContact O-N 3.29Å; A325-A327 VanDerWaalsContact O-N 3.09Å; A327-I329 VanDerWaalsContact C-N 3.33Å; A327-I329 PolarHBondContact O-N 2.97Å; A327-R330 PolarHBondContact O-N 2.71Å; A327-W331 WeakPolarHBondContact O-CB 3.06Å; A327-W331 PolarHBondContact O-N 3.26Å |
| 328 | V | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 176.3 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | I324 A325 G326 W331 L332 F360 P362 F364 A396 V400 | I324-V328 HydrophobicContact CG2-CB 4.06Å; A325-V328 WeakPolarHBondContact O-CG1 3.48Å; A325-V328 PolarHBondContact O-N 3.23Å; G326-V328 VanDerWaalsContact C-N 3.26Å; G326-V328 PolarHBondContact O-N 3.45Å; V328-W331 PolarHBondContact O-N 3.35Å; V328-L332 WeakPolarHBondContact O-CG 3.18Å; V328-L332 PolarHBondContact O-N 3.01Å; V328-F360 HydrophobicContact CG2-CD1 3.91Å; V328-F360 HydrophobicContact CG2-CE1 3.34Å; V328-F360 HydrophobicContact CG2-CZ 3.83Å; V328-P362 HydrophobicContact CB-CB 4.12Å; V328-P362 HydrophobicContact CG2-CB 3.81Å; V328-F364 HydrophobicContact CB-CE2 4.37Å; V328-F364 HydrophobicContact CG2-CE2 4.31Å; V328-F364 HydrophobicContact CG2-CZ 4.08Å; V328-A396 HydrophobicContact CG1-CB 4.35Å; V328-A396 HydrophobicContact CG2-CB 4.21Å; V328-V400 HydrophobicContact CG1-CG2 3.99Å |
| 329 | I | 92.9 | Very high | 89 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.3 | -55.7 | -174.9 | 0 | 0 | 0 | 109.8 | G326 A327 W331 L332 R333 I339 I345 L397 M428 | G326-I329 PolarHBondContact O-N 3.45Å; A327-I329 VanDerWaalsContact C-N 3.33Å; A327-I329 PolarHBondContact O-N 2.97Å; I329-W331 VanDerWaalsContact C-N 3.33Å; I329-W331 PolarHBondContact O-N 3.43Å; I329-L332 PolarHBondContact O-N 3.04Å; I329-R333 PolarHBondContact O-N 3.38Å; I329-I339 HydrophobicContact CG2-CD1 3.72Å; I329-I345 HydrophobicContact CB-CD1 4.3Å; I329-I345 HydrophobicContact CD1-CD1 4.13Å; I329-I345 HydrophobicContact CD1-CG2 4.25Å; I329-I345 HydrophobicContact CG1-CD1 3.74Å; I329-I345 HydrophobicContact CG2-CB 4.4Å; I329-I345 HydrophobicContact CG2-CD1 4.05Å; I329-I345 HydrophobicContact CG2-CG2 4.2Å; I329-L397 HydrophobicContact CD1-CD2 3.93Å; I329-M428 HydrophobicContact CD1-CE 3.4Å; I329-M428 HydrophobicContact CD1-SD 4.47Å; I329-M428 HydrophobicContact CG1-CE 4.24Å |
| 330 | R | 87.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -41 | 175.5 | -69.2 | -166.2 | -58.9 | -95.8 | 4.4 | 112.1 | T281 G326 A327 L332 R333 D334 | T281-R330 PolarHBondContact OG1-NH1 2.87Å; T281-R330 PolarHBondContact OG1-NH2 2.83Å; G326-R330 PolarHBondContact O-N 3.07Å; G326-R330 VanDerWaalsContact O-N 3.08Å; A327-R330 PolarHBondContact O-N 2.71Å; R330-L332 PolarHBondContact O-N 2.98Å; R330-R333 WeakPolarHBondContact O-CB 3.32Å; R330-R333 PolarHBondContact O-N 2.95Å; R330-R333 VanDerWaalsContact O-N 3.09Å; R330-D334 WeakPolarHBondContact O-CB 3.34Å; R330-D334 PolarHBondContact O-N 2.66Å |
| 331 | W | 91.1 | Very high | 88.8 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.6 | 179.8 | 83.2 | 0 | 0 | 0 | 112.4 | A327 V328 I329 R333 N335 L336 F360 F364 | A327-W331 WeakPolarHBondContact O-CB 3.06Å; A327-W331 PolarHBondContact O-N 3.26Å; V328-W331 PolarHBondContact O-N 3.35Å; I329-W331 VanDerWaalsContact C-N 3.33Å; I329-W331 PolarHBondContact O-N 3.43Å; W331-R333 PolarHBondContact O-N 2.77Å; W331-N335 HydrophobicContact CG-CB 4.26Å; W331-N335 WeakPolarHBondContact O-CA 3.11Å; W331-N335 VanDerWaalsContact O-CB 3.31Å; W331-N335 WeakPolarHBondContact O-CB 3.44Å; W331-N335 PolarHBondContact O-N 3.26Å; W331-L336 HydrophobicContact CE3-CD1 4.26Å; W331-L336 HydrophobicContact CE3-CG 4.28Å; W331-L336 HydrophobicContact CH2-CD1 3.4Å; W331-L336 HydrophobicContact CH2-CD2 3.98Å; W331-L336 HydrophobicContact CH2-CG 3.62Å; W331-L336 HydrophobicContact CZ2-CD1 4.28Å; W331-L336 HydrophobicContact CZ2-CD2 4.11Å; W331-L336 HydrophobicContact CZ2-CG 4.01Å; W331-L336 HydrophobicContact CZ3-CD1 3.37Å; W331-L336 HydrophobicContact CZ3-CG 3.75Å; W331-L336 PolarHBondContact O-N 2.81Å; W331-F360 HydrophobicContact CE3-CE1 4.24Å; W331-F360 AromaticContact CE3-CZ 3.95Å; W331-F360 HydrophobicContact CE3-CZ 3.95Å; W331-F360 HydrophobicContact CH2-CZ 4.24Å; W331-F360 AromaticContact CZ3-CE1 3.92Å; W331-F360 HydrophobicContact CZ3-CE1 3.92Å; W331-F360 AromaticContact CZ3-CZ 3.55Å; W331-F360 HydrophobicContact CZ3-CZ 3.55Å; W331-F364 HydrophobicContact CB-CE2 3.8Å; W331-F364 HydrophobicContact CB-CZ 4.07Å; W331-F364 HydrophobicContact CD2-CE1 4.18Å; W331-F364 HydrophobicContact CD2-CE2 4.24Å; W331-F364 AromaticContact CD2-CZ 3.62Å; W331-F364 HydrophobicContact CD2-CZ 3.62Å; W331-F364 HydrophobicContact CE3-CE1 4.44Å; W331-F364 AromaticContact CE3-CZ 3.8Å; W331-F364 HydrophobicContact CE3-CZ 3.8Å; W331-F364 HydrophobicContact CG-CE1 4.49Å; W331-F364 AromaticContact CG-CE2 3.85Å; W331-F364 HydrophobicContact CG-CE2 3.85Å; W331-F364 AromaticContact CG-CZ 3.74Å; W331-F364 HydrophobicContact CG-CZ 3.74Å; W331-F364 HydrophobicContact CZ3-CZ 4.45Å |
| 332 | L | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -33.5 | 173.6 | -69.9 | 179.5 | 0 | 0 | 0 | 112.8 | V328 I329 R330 L336 G337 I338 I339 I345 F360 I392 A396 | V328-L332 WeakPolarHBondContact O-CG 3.18Å; V328-L332 PolarHBondContact O-N 3.01Å; I329-L332 PolarHBondContact O-N 3.04Å; R330-L332 PolarHBondContact O-N 2.98Å; L332-L336 HydrophobicContact CD2-CD1 3.99Å; L332-G337 PolarHBondContact O-N 3.45Å; L332-G337 VanDerWaalsContact O-N 3.14Å; L332-I338 HydrophobicContact CD2-CD1 4.07Å; L332-I338 PolarHBondContact O-N 2.85Å; L332-I339 HydrophobicContact CB-CD1 4.42Å; L332-I339 HydrophobicContact CB-CG1 4.43Å; L332-I345 HydrophobicContact CD1-CD1 3.97Å; L332-F360 HydrophobicContact CD2-CE1 4.34Å; L332-I392 HydrophobicContact CD2-CG2 4.09Å; L332-A396 HydrophobicContact CD1-CB 3.59Å |
| 333 | R | 93.6 | Very high | 89.3 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.6 | -61.2 | 176.7 | -173.8 | -171.4 | 63 | -173.1 | 0.7 | 111.7 | I329 R330 W331 G337 I339 E340 | I329-R333 PolarHBondContact O-N 3.38Å; R330-R333 WeakPolarHBondContact O-CB 3.32Å; R330-R333 PolarHBondContact O-N 2.95Å; R330-R333 VanDerWaalsContact O-N 3.09Å; W331-R333 PolarHBondContact O-N 2.77Å; R333-G337 WeakPolarHBondContact O-CA 3.46Å; R333-G337 PolarHBondContact O-N 2.92Å; R333-I339 WeakPolarHBondContact CA-O 3.32Å; R333-I339 HydrophobicContact CB-CD1 4.09Å; R333-I339 HydrophobicContact CB-CG1 3.63Å; R333-I339 HydrophobicContact CG-CG1 4.22Å; R333-I339 WeakPolarHBondContact CG-O 3.48Å; R333-E340 WeakPolarHBondContact CD-O 3.23Å; R333-E340 WeakPolarHBondContact CG-O 3.47Å |
| 334 | D | 86.8 | Confident | 90.2 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 54% | 0.535 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -78.4 | -31.8 | -165.7 | -61.3 | -27.7 | 0 | 0 | 0 | 112.1 | R330 | R330-D334 WeakPolarHBondContact O-CB 3.34Å; R330-D334 PolarHBondContact O-N 2.66Å |
| 335 | N | 88.1 | Confident | 90.8 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -38.2 | -173.3 | -62.1 | 82.5 | 0 | 0 | 0 | 113.7 | W331 | W331-N335 HydrophobicContact CG-CB 4.26Å; W331-N335 WeakPolarHBondContact O-CA 3.11Å; W331-N335 VanDerWaalsContact O-CB 3.31Å; W331-N335 WeakPolarHBondContact O-CB 3.44Å; W331-N335 PolarHBondContact O-N 3.26Å |
| 336 | L | 93.1 | Very high | 91 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -14.1 | 179.6 | -66.6 | -164.6 | 0 | 0 | 0 | 114.3 | W331 L332 I338 | W331-L336 HydrophobicContact CE3-CD1 4.26Å; W331-L336 HydrophobicContact CE3-CG 4.28Å; W331-L336 HydrophobicContact CH2-CD1 3.4Å; W331-L336 HydrophobicContact CH2-CD2 3.98Å; W331-L336 HydrophobicContact CH2-CG 3.62Å; W331-L336 HydrophobicContact CZ2-CD1 4.28Å; W331-L336 HydrophobicContact CZ2-CD2 4.11Å; W331-L336 HydrophobicContact CZ2-CG 4.01Å; W331-L336 HydrophobicContact CZ3-CD1 3.37Å; W331-L336 HydrophobicContact CZ3-CG 3.75Å; W331-L336 PolarHBondContact O-N 2.81Å; L332-L336 HydrophobicContact CD2-CD1 3.99Å; L336-I338 HydrophobicContact CB-CD1 4.08Å; L336-I338 HydrophobicContact CB-CG1 3.97Å; L336-I338 HydrophobicContact CD1-CD1 3.79Å; L336-I338 PolarHBondContact O-N 3.48Å |
| 337 | G | 93.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | trans | 59.1 | 25.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L332 R333 I339 | L332-G337 PolarHBondContact O-N 3.45Å; L332-G337 VanDerWaalsContact O-N 3.14Å; R333-G337 WeakPolarHBondContact O-CA 3.46Å; R333-G337 PolarHBondContact O-N 2.92Å; G337-I339 VanDerWaalsContact C-N 3.34Å | ||
| 338 | I | 94.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -72.8 | -32.9 | 179.9 | -76.4 | 178.2 | 0 | 0 | 0 | 111 | L332 L336 L348 K389 I392 | L332-I338 HydrophobicContact CD2-CD1 4.07Å; L332-I338 PolarHBondContact O-N 2.85Å; L336-I338 HydrophobicContact CB-CD1 4.08Å; L336-I338 HydrophobicContact CB-CG1 3.97Å; L336-I338 HydrophobicContact CD1-CD1 3.79Å; L336-I338 PolarHBondContact O-N 3.48Å; I338-L348 HydrophobicContact CG2-CD1 3.99Å; I338-K389 HydrophobicContact CG1-CB 4.47Å; I338-K389 HydrophobicContact CG2-CB 4.06Å; I338-I392 HydrophobicContact CD1-CB 4.41Å; I338-I392 HydrophobicContact CD1-CD1 4.31Å; I338-I392 HydrophobicContact CD1-CG2 4.03Å |
| 339 | I | 94.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | trans | -127.7 | 153.5 | 175.9 | 59.6 | -180 | 0 | 0 | 0 | 109.8 | I329 L332 R333 G337 D344 I345 L348 | I329-I339 HydrophobicContact CG2-CD1 3.72Å; L332-I339 HydrophobicContact CB-CD1 4.42Å; L332-I339 HydrophobicContact CB-CG1 4.43Å; R333-I339 WeakPolarHBondContact CA-O 3.32Å; R333-I339 HydrophobicContact CB-CD1 4.09Å; R333-I339 HydrophobicContact CB-CG1 3.63Å; R333-I339 HydrophobicContact CG-CG1 4.22Å; R333-I339 WeakPolarHBondContact CG-O 3.48Å; G337-I339 VanDerWaalsContact C-N 3.34Å; I339-D344 HydrophobicContact CB-CB 4.08Å; I339-D344 HydrophobicContact CG2-CB 4.05Å; I339-I345 HydrophobicContact CD1-CB 4.16Å; I339-I345 HydrophobicContact CG2-CB 4.36Å; I339-L348 HydrophobicContact CG2-CD1 3.56Å | ||
| 340 | E | 90.9 | Very high | 92 | Very high | 172 Ų | 172 | 62.8 Ų | 62.8 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -94.4 | -39.2 | 174.7 | -65.2 | -179.9 | -174.8 | 0 | 0 | 111 | R333 | R333-E340 WeakPolarHBondContact CD-O 3.23Å; R333-E340 WeakPolarHBondContact CG-O 3.47Å |
| 341 | T | 90.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 65 Ų | 65 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -125.2 | 155.7 | 176.3 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | G343 D344 | T341-G343 PolarHBondContact O-N 2.91Å; T341-G343 VanDerWaalsContact O-N 3.11Å; T341-D344 PolarHBondContact N-OD2 3.08Å; T341-D344 PolarHBondContact O-N 3.35Å; T341-D344 VanDerWaalsContact OG1-CG 3.23Å; T341-D344 PolarHBondContact OG1-OD2 3.12Å |
| 342 | S | 86.6 | Confident | 92.1 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.9 | 178.3 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | D344 I345 | S342-D344 VanDerWaalsContact C-N 3.34Å; S342-I345 WeakPolarHBondContact O-CG2 3.46Å |
| 343 | G | 89.9 | Confident | 91.5 | Very high | 45 Ų | 45 | 65 Ų | 65 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | T341 I345 E346 | T341-G343 PolarHBondContact O-N 2.91Å; T341-G343 VanDerWaalsContact O-N 3.11Å; G343-I345 PolarHBondContact O-N 2.9Å; G343-E346 PolarHBondContact O-N 3.39Å |
| 344 | D | 92.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.1 | -22.4 | -178.2 | -61.7 | -43.8 | 0 | 0 | 0 | 112.6 | I339 T341 S342 E346 K347 L348 | I339-D344 HydrophobicContact CB-CB 4.08Å; I339-D344 HydrophobicContact CG2-CB 4.05Å; T341-D344 PolarHBondContact N-OD2 3.08Å; T341-D344 PolarHBondContact O-N 3.35Å; T341-D344 VanDerWaalsContact OG1-CG 3.23Å; T341-D344 PolarHBondContact OG1-OD2 3.12Å; S342-D344 VanDerWaalsContact C-N 3.34Å; D344-E346 PolarHBondContact O-N 3.37Å; D344-K347 WeakPolarHBondContact O-CB 3.02Å; D344-K347 PolarHBondContact O-N 3.12Å; D344-K347 VanDerWaalsContact O-N 3.12Å; D344-K347 IonicContact OD1-NZ 3.19Å; D344-K347 PolarHBondContact OD1-NZ 3Å; D344-L348 WeakPolarHBondContact O-CG 3.38Å; D344-L348 PolarHBondContact O-N 3.04Å |
| 345 | I | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 177 | -158.4 | 174.8 | 0 | 0 | 0 | 112 | I329 L332 I339 S342 G343 A349 A393 A396 L397 | I329-I345 HydrophobicContact CB-CD1 4.3Å; I329-I345 HydrophobicContact CD1-CD1 4.13Å; I329-I345 HydrophobicContact CD1-CG2 4.25Å; I329-I345 HydrophobicContact CG1-CD1 3.74Å; I329-I345 HydrophobicContact CG2-CB 4.4Å; I329-I345 HydrophobicContact CG2-CD1 4.05Å; I329-I345 HydrophobicContact CG2-CG2 4.2Å; L332-I345 HydrophobicContact CD1-CD1 3.97Å; I339-I345 HydrophobicContact CD1-CB 4.16Å; I339-I345 HydrophobicContact CG2-CB 4.36Å; S342-I345 WeakPolarHBondContact O-CG2 3.46Å; G343-I345 PolarHBondContact O-N 2.9Å; I345-A349 VanDerWaalsContact O-CB 3.28Å; I345-A349 WeakPolarHBondContact O-CB 3.28Å; I345-A349 PolarHBondContact O-N 3.35Å; I345-A393 HydrophobicContact CG1-CB 3.85Å; I345-A396 HydrophobicContact CD1-CB 4.44Å; I345-L397 HydrophobicContact CD1-CD2 3.92Å; I345-L397 HydrophobicContact CD1-CG 4.04Å; I345-L397 HydrophobicContact CG1-CD2 4.47Å; I345-L397 HydrophobicContact CG1-CG 4.34Å; I345-L397 HydrophobicContact CG2-CD2 4.28Å |
| 346 | E | 94.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.7 | -171.8 | 178.4 | 166.4 | 0 | 0 | 110.9 | G343 D344 A349 K350 V433 | G343-E346 PolarHBondContact O-N 3.39Å; D344-E346 PolarHBondContact O-N 3.37Å; E346-A349 PolarHBondContact O-N 3.35Å; E346-K350 HydrophobicContact CG-CD 4.42Å; E346-K350 WeakPolarHBondContact O-CG 3.35Å; E346-K350 PolarHBondContact O-N 2.9Å; E346-K350 WeakPolarHBondContact OE1-CE 3.37Å; E346-K350 IonicContact OE1-NZ 3.98Å; E346-K350 PolarHBondContact OE1-NZ 2.78Å; E346-V433 HydrophobicContact CG-CB 4.4Å; E346-V433 HydrophobicContact CG-CG2 3.8Å |
| 347 | K | 94.3 | Very high | 91 | Very high | 130 Ų | 130 | 57 Ų | 57 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.9 | -50 | 178.1 | -59.4 | 174.7 | -169.3 | 155.4 | 0 | 110.3 | D344 A349 K350 E351 | D344-K347 WeakPolarHBondContact O-CB 3.02Å; D344-K347 PolarHBondContact O-N 3.12Å; D344-K347 VanDerWaalsContact O-N 3.12Å; D344-K347 IonicContact OD1-NZ 3.19Å; D344-K347 PolarHBondContact OD1-NZ 3Å; K347-A349 PolarHBondContact O-N 3.02Å; K347-K350 PolarHBondContact O-N 3.48Å; K347-E351 PolarHBondContact O-N 2.95Å |
| 348 | L | 94.4 | Very high | 91 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.8 | -66.2 | -175.3 | 0 | 0 | 0 | 112 | I338 I339 D344 K350 E351 C390 A393 | I338-L348 HydrophobicContact CG2-CD1 3.99Å; I339-L348 HydrophobicContact CG2-CD1 3.56Å; D344-L348 WeakPolarHBondContact O-CG 3.38Å; D344-L348 PolarHBondContact O-N 3.04Å; L348-K350 VanDerWaalsContact C-N 3.33Å; L348-K350 PolarHBondContact O-N 3.16Å; L348-E351 PolarHBondContact O-N 3.22Å; L348-C390 HydrophobicContact CB-CB 4.45Å; L348-C390 WeakPolarHBondContact O-CB 3.36Å; L348-A393 HydrophobicContact CB-CB 3.79Å; L348-A393 HydrophobicContact CD1-CB 4.1Å |
| 349 | A | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I345 E346 K347 E351 V352 G353 F394 L397 V433 | I345-A349 VanDerWaalsContact O-CB 3.28Å; I345-A349 WeakPolarHBondContact O-CB 3.28Å; I345-A349 PolarHBondContact O-N 3.35Å; E346-A349 PolarHBondContact O-N 3.35Å; K347-A349 PolarHBondContact O-N 3.02Å; A349-E351 VanDerWaalsContact C-N 3.28Å; A349-E351 PolarHBondContact O-N 3.06Å; A349-V352 PolarHBondContact O-N 2.78Å; A349-G353 PolarHBondContact O-N 3.18Å; A349-G353 VanDerWaalsContact O-N 3.13Å; A349-F394 HydrophobicContact CB-CB 4.26Å; A349-F394 HydrophobicContact CB-CD2 3.96Å; A349-F394 WeakPolarHBondContact O-CD2 3.39Å; A349-L397 HydrophobicContact CB-CD1 3.78Å; A349-V433 HydrophobicContact CB-CG1 4.06Å |
| 350 | K | 93.6 | Very high | 91.2 | Very high | 125 Ų | 125 | 54 Ų | 54 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -28.6 | 176.3 | -77 | 179.8 | -174.7 | 168.3 | 0 | 113.7 | E346 K347 L348 V352 V433 | E346-K350 HydrophobicContact CG-CD 4.42Å; E346-K350 WeakPolarHBondContact O-CG 3.35Å; E346-K350 PolarHBondContact O-N 2.9Å; E346-K350 WeakPolarHBondContact OE1-CE 3.37Å; E346-K350 IonicContact OE1-NZ 3.98Å; E346-K350 PolarHBondContact OE1-NZ 2.78Å; K347-K350 PolarHBondContact O-N 3.48Å; L348-K350 VanDerWaalsContact C-N 3.33Å; L348-K350 PolarHBondContact O-N 3.16Å; K350-V352 VanDerWaalsContact C-N 3.31Å; K350-V352 PolarHBondContact O-N 3.01Å; K350-V433 HydrophobicContact CD-CG2 4.18Å; K350-V433 HydrophobicContact CG-CG2 3.47Å; K350-V433 VanDerWaalsContact CG-CG2 3.47Å |
| 351 | E | 92.1 | Very high | 91.5 | Very high | 135 Ų | 135 | 45.8 Ų | 45.8 | 63% | 0.631 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.8 | -33 | -179.2 | -72 | 177.8 | -172.5 | 0 | 0 | 113.1 | K347 L348 A349 C390 | K347-E351 PolarHBondContact O-N 2.95Å; L348-E351 PolarHBondContact O-N 3.22Å; A349-E351 VanDerWaalsContact C-N 3.28Å; A349-E351 PolarHBondContact O-N 3.06Å; E351-C390 PolarHBondContact OE2-SG 3.34Å |
| 352 | V | 88.8 | Confident | 91.5 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -105.1 | -26.4 | -175.3 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | A349 K350 T354 C390 F394 | A349-V352 PolarHBondContact O-N 2.78Å; K350-V352 VanDerWaalsContact C-N 3.31Å; K350-V352 PolarHBondContact O-N 3.01Å; V352-T354 WeakPolarHBondContact CG2-O 3.47Å; V352-T354 PolarHBondContact O-N 3.24Å; V352-C390 HydrophobicContact CG1-CB 3.54Å; V352-C390 HydrophobicContact CG2-CB 4.17Å; V352-F394 HydrophobicContact CG2-CB 4.06Å; V352-F394 HydrophobicContact CG2-CD2 4.28Å; V352-F394 HydrophobicContact CG2-CG 4.47Å |
| 353 | G | 82.1 | Confident | 91.5 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 65.5 | -11.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A349 F394 | A349-G353 PolarHBondContact O-N 3.18Å; A349-G353 VanDerWaalsContact O-N 3.13Å; G353-F394 VanDerWaalsContact O-CE2 3.25Å; G353-F394 WeakPolarHBondContact O-CE2 3.43Å; G353-F394 VanDerWaalsContact O-CZ 3.28Å; G353-F394 WeakPolarHBondContact O-CZ 3.15Å |
| 354 | T | 88.8 | Confident | 91.1 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -155.5 | 158.8 | 174.7 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | V352 Y356 F394 | V352-T354 WeakPolarHBondContact CG2-O 3.47Å; V352-T354 PolarHBondContact O-N 3.24Å; T354-Y356 HydrophobicContact CG2-CD1 3.95Å; T354-Y356 HydrophobicContact CG2-CD2 3.36Å; T354-Y356 HydrophobicContact CG2-CE1 3.87Å; T354-Y356 HydrophobicContact CG2-CE2 3.29Å; T354-Y356 HydrophobicContact CG2-CG 3.72Å; T354-Y356 PolarHBondContact O-N 2.89Å; T354-Y356 PolarHBondContact OG1-N 3.1Å; T354-F394 VanDerWaalsContact CA-CZ 3.49Å |
| 355 | S | 85.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -76.1 | -10.7 | 175 | 55 | 0 | 0 | 0 | 0 | 113.4 | G357 C358 F394 E398 | S355-G357 PolarHBondContact O-N 3.27Å; S355-C358 WeakPolarHBondContact CB-O 3.48Å; S355-C358 WeakPolarHBondContact O-CB 3.46Å; S355-C358 PolarHBondContact O-N 3.44Å; S355-C358 PolarHBondContact OG-O 3.05Å; S355-F394 VanDerWaalsContact N-CD1 3.34Å; S355-E398 WeakPolarHBondContact CB-OE2 3.28Å; S355-E398 PolarHBondContact OG-OE2 3.41Å | ||
| 356 | Y | 87.4 | Confident | 89.4 | Confident | 138 Ų | 138 | 42.3 Ų | 42.3 | 54% | 0.541 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 37.8 | -175.5 | -76.4 | -77.5 | 0 | 0 | 0 | 113.3 | T354 F386 H391 | T354-Y356 HydrophobicContact CG2-CD1 3.95Å; T354-Y356 HydrophobicContact CG2-CD2 3.36Å; T354-Y356 HydrophobicContact CG2-CE1 3.87Å; T354-Y356 HydrophobicContact CG2-CE2 3.29Å; T354-Y356 HydrophobicContact CG2-CG 3.72Å; T354-Y356 PolarHBondContact O-N 2.89Å; T354-Y356 PolarHBondContact OG1-N 3.1Å; Y356-F386 AromaticContact CD2-CE1 3.95Å; Y356-F386 HydrophobicContact CD2-CE1 3.95Å; Y356-F386 HydrophobicContact CE2-CE1 4.14Å; Y356-F386 HydrophobicContact CG-CE1 4.22Å; Y356-H391 AromaticContact CD2-CD2 3.53Å; Y356-H391 AromaticContact CD2-NE2 3.26Å; Y356-H391 VanDerWaalsContact CD2-NE2 3.26Å; Y356-H391 WeakPolarHBondContact CD2-NE2 3.17Å; Y356-H391 AromaticContact CE2-NE2 3.95Å |
| 357 | G | 88.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S355 Y359 G382 | S355-G357 PolarHBondContact O-N 3.27Å; G357-Y359 WeakPolarHBondContact O-CD2 3.48Å; G357-Y359 WeakPolarHBondContact O-CE2 3.3Å; G357-G382 WeakPolarHBondContact O-CA 3.36Å |
| 358 | C | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -76 | 123.8 | 168.2 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | S355 L380 C381 T387 A395 | S355-C358 WeakPolarHBondContact CB-O 3.48Å; S355-C358 WeakPolarHBondContact O-CB 3.46Å; S355-C358 PolarHBondContact O-N 3.44Å; S355-C358 PolarHBondContact OG-O 3.05Å; C358-L380 VanDerWaalsContact SG-CD1 3.59Å; C358-C381 WeakPolarHBondContact CA-O 3.24Å; C358-T387 HydrophobicContact CB-CG2 4.36Å; C358-A395 HydrophobicContact CB-CB 4.38Å; C358-A395 WeakPolarHBondContact O-CB 3.4Å | ||
| 359 | Y | 96.4 | Very high | 86.7 | Confident | 24 Ų | 24 | 39 Ų | 39 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.9 | 178 | -68 | -86.2 | 0 | 0 | 0 | 110.8 | G357 L380 C381 F402 R499 T502 W503 | G357-Y359 WeakPolarHBondContact O-CD2 3.48Å; G357-Y359 WeakPolarHBondContact O-CE2 3.3Å; Y359-L380 WeakPolarHBondContact O-CA 3.45Å; Y359-C381 PolarHBondContact N-O 3.29Å; Y359-C381 PolarHBondContact O-N 3.47Å; Y359-F402 HydrophobicContact CD1-CE2 4.09Å; Y359-F402 HydrophobicContact CE1-CE2 4.04Å; Y359-F402 HydrophobicContact CE1-CZ 4.18Å; Y359-R499 WeakPolarHBondContact CE1-O 3.49Å; Y359-T502 HydrophobicContact CD2-CG2 4.02Å; Y359-T502 HydrophobicContact CE1-CG2 4.41Å; Y359-T502 HydrophobicContact CE2-CG2 3.31Å; Y359-T502 WeakPolarHBondContact OH-CB 3.34Å; Y359-W503 HydrophobicContact CD1-CB 3.63Å; Y359-W503 AromaticContact CD1-CD1 3.88Å; Y359-W503 HydrophobicContact CD1-CG 4.15Å; Y359-W503 HydrophobicContact CE1-CB 3.83Å |
| 360 | F | 96.6 | Very high | 85.7 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.6 | 173.6 | -162 | 174.2 | 0 | 0 | 0 | 109.3 | V328 W331 L332 P362 F364 I379 L380 A395 A396 A399 W503 | V328-F360 HydrophobicContact CG2-CD1 3.91Å; V328-F360 HydrophobicContact CG2-CE1 3.34Å; V328-F360 HydrophobicContact CG2-CZ 3.83Å; W331-F360 HydrophobicContact CE3-CE1 4.24Å; W331-F360 AromaticContact CE3-CZ 3.95Å; W331-F360 HydrophobicContact CE3-CZ 3.95Å; W331-F360 HydrophobicContact CH2-CZ 4.24Å; W331-F360 AromaticContact CZ3-CE1 3.92Å; W331-F360 HydrophobicContact CZ3-CE1 3.92Å; W331-F360 AromaticContact CZ3-CZ 3.55Å; W331-F360 HydrophobicContact CZ3-CZ 3.55Å; L332-F360 HydrophobicContact CD2-CE1 4.34Å; F360-P362 HydrophobicContact CE2-CB 4.39Å; F360-F364 HydrophobicContact CE2-CE1 4.16Å; F360-F364 HydrophobicContact CE2-CZ 4.38Å; F360-F364 AromaticContact CZ-CE1 3.95Å; F360-F364 HydrophobicContact CZ-CE1 3.95Å; F360-F364 AromaticContact CZ-CZ 3.8Å; F360-F364 HydrophobicContact CZ-CZ 3.8Å; F360-I379 WeakPolarHBondContact CA-O 3.45Å; F360-I379 VanDerWaalsContact CD2-O 3.25Å; F360-I379 WeakPolarHBondContact CD2-O 3.5Å; F360-L380 HydrophobicContact CB-CD1 3.96Å; F360-L380 HydrophobicContact CD1-CD1 4.49Å; F360-L380 HydrophobicContact CG-CD1 4.11Å; F360-A395 HydrophobicContact CB-CB 4.32Å; F360-A396 HydrophobicContact CD1-CB 3.89Å; F360-A396 HydrophobicContact CE1-CB 4.38Å; F360-A399 HydrophobicContact CB-CB 4.25Å; F360-A399 WeakPolarHBondContact O-CB 3.2Å; F360-W503 PolarHBondContact O-NE1 3.05Å |
| 361 | V | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.4 | 163.6 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | A363 L367 G378 I379 A506 V507 | V361-A363 VanDerWaalsContact C-N 3.26Å; V361-A363 HydrophobicContact CG1-CB 4.26Å; V361-A363 PolarHBondContact O-N 3.45Å; V361-A363 VanDerWaalsContact O-N 3.11Å; V361-L367 HydrophobicContact CG1-CD2 4.21Å; V361-G378 CarbonylContact O-C 3.58Å; V361-G378 WeakPolarHBondContact O-CA 3.37Å; V361-I379 HydrophobicContact CB-CD1 4.31Å; V361-I379 HydrophobicContact CB-CG1 3.62Å; V361-I379 HydrophobicContact CG2-CD1 3.91Å; V361-I379 HydrophobicContact CG2-CG1 3.74Å; V361-I379 PolarHBondContact N-O 3.42Å; V361-I379 PolarHBondContact O-N 3.31Å; V361-A506 HydrophobicContact CG2-CB 3.75Å; V361-V507 HydrophobicContact CG1-CG2 4.16Å; V361-V507 HydrophobicContact CG2-CG2 3.94Å |
| 362 | P | 90.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -89.6 | 49.8 | -171.6 | 37.1 | -37.6 | 0 | 0 | 0 | 112.4 | I324 V328 F360 F364 A399 | I324-P362 HydrophobicContact CB-CB 4.38Å; I324-P362 VanDerWaalsContact CB-O 3.28Å; I324-P362 WeakPolarHBondContact CB-O 3.15Å; I324-P362 VanDerWaalsContact CG1-O 3.31Å; I324-P362 WeakPolarHBondContact CG1-O 3.48Å; I324-P362 HydrophobicContact CG2-CB 3.77Å; I324-P362 HydrophobicContact CG2-CG 4.31Å; I324-P362 WeakPolarHBondContact CG2-O 3.28Å; V328-P362 HydrophobicContact CB-CB 4.12Å; V328-P362 HydrophobicContact CG2-CB 3.81Å; F360-P362 HydrophobicContact CE2-CB 4.39Å; P362-F364 HydrophobicContact CB-CZ 4.33Å; P362-F364 PolarHBondContact O-N 3.24Å; P362-A399 HydrophobicContact CG-CB 4.35Å | ||
| 363 | A | 87.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -79.4 | 57.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V361 S365 G366 L367 A376 R377 G378 | V361-A363 VanDerWaalsContact C-N 3.26Å; V361-A363 HydrophobicContact CG1-CB 4.26Å; V361-A363 PolarHBondContact O-N 3.45Å; V361-A363 VanDerWaalsContact O-N 3.11Å; A363-S365 VanDerWaalsContact C-N 3.26Å; A363-S365 PolarHBondContact O-N 3.27Å; A363-G366 PolarHBondContact O-N 2.94Å; A363-L367 HydrophobicContact CB-CD2 3.73Å; A363-L367 HydrophobicContact CB-CG 3.83Å; A363-A376 HydrophobicContact CB-CB 4.07Å; A363-R377 CarbonylContact O-C 3.59Å; A363-R377 VanDerWaalsContact O-CA 3.3Å; A363-R377 WeakPolarHBondContact O-CA 3.28Å; A363-G378 PolarHBondContact O-N 2.94Å | ||
| 364 | F | 81.4 | Confident | 83.5 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.3 | -175 | -56.6 | -34.5 | 0 | 0 | 0 | 114 | I324 V328 W331 F360 P362 | I324-F364 HydrophobicContact CD1-CB 4.35Å; I324-F364 HydrophobicContact CD1-CD2 4.16Å; I324-F364 HydrophobicContact CG1-CB 4.41Å; I324-F364 HydrophobicContact CG1-CD2 4.23Å; I324-F364 HydrophobicContact CG2-CD2 3.63Å; I324-F364 HydrophobicContact CG2-CE2 3.73Å; V328-F364 HydrophobicContact CB-CE2 4.37Å; V328-F364 HydrophobicContact CG2-CE2 4.31Å; V328-F364 HydrophobicContact CG2-CZ 4.08Å; W331-F364 HydrophobicContact CB-CE2 3.8Å; W331-F364 HydrophobicContact CB-CZ 4.07Å; W331-F364 HydrophobicContact CD2-CE1 4.18Å; W331-F364 HydrophobicContact CD2-CE2 4.24Å; W331-F364 AromaticContact CD2-CZ 3.62Å; W331-F364 HydrophobicContact CD2-CZ 3.62Å; W331-F364 HydrophobicContact CE3-CE1 4.44Å; W331-F364 AromaticContact CE3-CZ 3.8Å; W331-F364 HydrophobicContact CE3-CZ 3.8Å; W331-F364 HydrophobicContact CG-CE1 4.49Å; W331-F364 AromaticContact CG-CE2 3.85Å; W331-F364 HydrophobicContact CG-CE2 3.85Å; W331-F364 AromaticContact CG-CZ 3.74Å; W331-F364 HydrophobicContact CG-CZ 3.74Å; W331-F364 HydrophobicContact CZ3-CZ 4.45Å; F360-F364 HydrophobicContact CE2-CE1 4.16Å; F360-F364 HydrophobicContact CE2-CZ 4.38Å; F360-F364 AromaticContact CZ-CE1 3.95Å; F360-F364 HydrophobicContact CZ-CE1 3.95Å; F360-F364 AromaticContact CZ-CZ 3.8Å; F360-F364 HydrophobicContact CZ-CZ 3.8Å; P362-F364 HydrophobicContact CB-CZ 4.33Å; P362-F364 PolarHBondContact O-N 3.24Å |
| 365 | S | 72.2 | Confident | 83.2 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 44% | 0.441 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 27.5 | 179 | 61.8 | 0 | 0 | 0 | 0 | 112 | A363 | A363-S365 VanDerWaalsContact C-N 3.26Å; A363-S365 PolarHBondContact O-N 3.27Å |
| 366 | G | 79.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | trans | 86.8 | 179.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | A363 E373 A376 | A363-G366 PolarHBondContact O-N 2.94Å; G366-E373 WeakPolarHBondContact CA-O 3.34Å; G366-A376 WeakPolarHBondContact CA-O 3.28Å | ||
| 367 | L | 79.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -102.9 | 135 | 174.4 | -68.4 | 169.8 | 0 | 0 | 0 | 109.9 | V361 A363 Y371 W372 E373 A376 V507 M511 | V361-L367 HydrophobicContact CG1-CD2 4.21Å; A363-L367 HydrophobicContact CB-CD2 3.73Å; A363-L367 HydrophobicContact CB-CG 3.83Å; L367-Y371 HydrophobicContact CB-CD2 4.37Å; L367-Y371 HydrophobicContact CD1-CD2 4.05Å; L367-Y371 HydrophobicContact CD1-CG 4.42Å; L367-W372 CarbonylContact O-C 3.51Å; L367-W372 WeakPolarHBondContact O-CA 3.4Å; L367-W372 PolarHBondContact O-N 2.87Å; L367-E373 HydrophobicContact CB-CB 4.47Å; L367-E373 PolarHBondContact N-O 3.16Å; L367-E373 PolarHBondContact O-N 3.38Å; L367-A376 HydrophobicContact CB-CB 4.31Å; L367-A376 HydrophobicContact CD1-CB 3.84Å; L367-A376 HydrophobicContact CG-CB 3.74Å; L367-V507 HydrophobicContact CD1-CG1 3.76Å; L367-M511 HydrophobicContact CD1-CE 3.92Å; L367-M511 HydrophobicContact CD1-CG 4.37Å |
| 368 | Y | 76.8 | Confident | 83.3 | Confident | 89 Ų | 89 | 38.4 Ų | 38.4 | 35% | 0.349 | 20% | 0.197 | S | C | . | . | trans | -89 | -150.1 | 175 | -70.3 | -97.2 | 0 | 0 | 0 | 110 | A323 Y371 W372 | A323-Y368 HydrophobicContact CB-CD2 3.31Å; A323-Y368 HydrophobicContact CB-CE2 3.01Å; A323-Y368 HydrophobicContact CB-CG 4.25Å; Y368-Y371 PolarHBondContact O-N 2.91Å; Y368-W372 HydrophobicContact CD1-CZ3 4.19Å; Y368-W372 PolarHBondContact O-N 2.89Å | ||
| 369 | A | 70.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 141.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | L300 I407 | L300-A369 HydrophobicContact CD2-CB 4.21Å; A369-I407 HydrophobicContact CB-CD1 3.84Å; A369-I407 WeakPolarHBondContact O-CD1 3.22Å |
| 370 | P | 72.8 | Confident | 83.3 | Confident | 40 Ų | 40 | 41 Ų | 41 | 26% | 0.26 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -83.5 | -3.7 | -2.6 | 34.5 | -35.5 | 0 | 0 | 0 | 114.5 | E406 | P370-E406 HydrophobicContact CG-CB 4.47Š|
| 371 | Y | 78.6 | Confident | 83.2 | Confident | 72 Ų | 72 | 42.4 Ų | 42.4 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -36.6 | -167.2 | -61.3 | -64.9 | 0 | 0 | 0 | 115.6 | L367 Y368 E373 E406 V507 M511 | L367-Y371 HydrophobicContact CB-CD2 4.37Å; L367-Y371 HydrophobicContact CD1-CD2 4.05Å; L367-Y371 HydrophobicContact CD1-CG 4.42Å; Y368-Y371 PolarHBondContact O-N 2.91Å; Y371-E373 VanDerWaalsContact C-N 3.29Å; Y371-E373 PolarHBondContact O-N 3.17Å; Y371-E406 VanDerWaalsContact CE2-OE1 3.24Å; Y371-E406 WeakPolarHBondContact CE2-OE1 3.46Å; Y371-E406 WeakPolarHBondContact CE2-OE2 3.41Å; Y371-E406 PolarHBondContact OH-OE1 3.46Å; Y371-V507 HydrophobicContact CD2-CG1 4.14Å; Y371-V507 HydrophobicContact CE1-CG1 4.38Å; Y371-V507 HydrophobicContact CE2-CG1 3.59Å; Y371-M511 HydrophobicContact CD1-CE 3.21Å; Y371-M511 HydrophobicContact CD2-CE 4.07Å; Y371-M511 HydrophobicContact CE1-CE 3.66Å; Y371-M511 HydrophobicContact CE2-CE 4.44Å; Y371-M511 HydrophobicContact CG-CE 3.43Å; Y371-M511 VanDerWaalsContact CG-CE 3.43Å |
| 372 | W | 74 | Confident | 83.2 | Confident | 116 Ų | 116 | 44.3 Ų | 44.3 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | trans | 48.6 | 48.6 | -175.9 | -66.9 | 96.5 | 0 | 0 | 0 | 113 | G299 L367 Y368 P374 | G299-W372 PolarHBondContact O-NE1 2.87Å; L367-W372 CarbonylContact O-C 3.51Å; L367-W372 WeakPolarHBondContact O-CA 3.4Å; L367-W372 PolarHBondContact O-N 2.87Å; Y368-W372 HydrophobicContact CD1-CZ3 4.19Å; Y368-W372 PolarHBondContact O-N 2.89Å; W372-P374 WeakPolarHBondContact O-CD 3.34Å | ||
| 373 | E | 80.7 | Confident | 83.4 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 93.2 | -175.4 | -177.2 | 49 | -100.5 | 0 | 0 | 110.9 | G366 L367 Y371 S375 A376 M511 | G366-E373 WeakPolarHBondContact CA-O 3.34Å; L367-E373 HydrophobicContact CB-CB 4.47Å; L367-E373 PolarHBondContact N-O 3.16Å; L367-E373 PolarHBondContact O-N 3.38Å; Y371-E373 VanDerWaalsContact C-N 3.29Å; Y371-E373 PolarHBondContact O-N 3.17Å; E373-S375 PolarHBondContact O-N 3.32Å; E373-S375 WeakPolarHBondContact OE1-CB 3.38Å; E373-S375 PolarHBondContact OE1-N 2.96Å; E373-S375 PolarHBondContact OE1-OG 2.96Å; E373-A376 HydrophobicContact CB-CB 4.31Å; E373-A376 HydrophobicContact CG-CB 3.97Å; E373-A376 WeakPolarHBondContact O-CB 3.39Å; E373-A376 PolarHBondContact O-N 3.37Å; E373-M511 HydrophobicContact CB-CG 4.45Å; E373-M511 HydrophobicContact CG-CB 4.03Å; E373-M511 HydrophobicContact CG-CG 3.94Å |
| 374 | P | 76.8 | Confident | 83.8 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.5 | -178.3 | 28.2 | -35.3 | 0 | 0 | 0 | 113.1 | W372 A376 R377 | W372-P374 WeakPolarHBondContact O-CD 3.34Å; P374-A376 PolarHBondContact O-N 3.41Å; P374-R377 PolarHBondContact O-NH1 2.95Å |
| 375 | S | 81.6 | Confident | 84.4 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -13.2 | 177.4 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | E373 G512 W513 V514 | E373-S375 PolarHBondContact O-N 3.32Å; E373-S375 WeakPolarHBondContact OE1-CB 3.38Å; E373-S375 PolarHBondContact OE1-N 2.96Å; E373-S375 PolarHBondContact OE1-OG 2.96Å; S375-G512 VanDerWaalsContact OG-CA 3.24Å; S375-G512 WeakPolarHBondContact OG-CA 3.43Å; S375-G512 PolarHBondContact OG-N 3.23Å; S375-W513 PolarHBondContact O-N 3.47Å; S375-V514 PolarHBondContact O-N 3.34Å |
| 376 | A | 86.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -64.4 | 144.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A363 G366 L367 E373 P374 S510 | A363-A376 HydrophobicContact CB-CB 4.07Å; G366-A376 WeakPolarHBondContact CA-O 3.28Å; L367-A376 HydrophobicContact CB-CB 4.31Å; L367-A376 HydrophobicContact CD1-CB 3.84Å; L367-A376 HydrophobicContact CG-CB 3.74Å; E373-A376 HydrophobicContact CB-CB 4.31Å; E373-A376 HydrophobicContact CG-CB 3.97Å; E373-A376 WeakPolarHBondContact O-CB 3.39Å; E373-A376 PolarHBondContact O-N 3.37Å; P374-A376 PolarHBondContact O-N 3.41Å; A376-S510 CarbonylContact C-O 3.45Å; A376-S510 WeakPolarHBondContact CA-O 3.44Å | ||
| 377 | R | 88.1 | Confident | 86.2 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 33% | 0.328 | 34% | 0.336 | S | S | . | . | trans | -131 | 154.9 | 177.8 | -71.4 | -64.8 | 179.4 | -88.2 | 6.4 | 112.8 | A363 P374 I379 S510 W513 V514 | A363-R377 CarbonylContact O-C 3.59Å; A363-R377 VanDerWaalsContact O-CA 3.3Å; A363-R377 WeakPolarHBondContact O-CA 3.28Å; P374-R377 PolarHBondContact O-NH1 2.95Å; R377-I379 PolarHBondContact O-N 3.09Å; R377-S510 PolarHBondContact N-O 3.33Å; R377-S510 VanDerWaalsContact N-O 3.08Å; R377-S510 WeakPolarHBondContact O-CB 3.42Å; R377-W513 HydrophobicContact CB-CB 4.01Å; R377-W513 HydrophobicContact CB-CG 3.78Å; R377-W513 HydrophobicContact CG-CB 4.12Å; R377-W513 HydrophobicContact CG-CG 4.06Å; R377-V514 HydrophobicContact CG-CG2 3.9Å; R377-V514 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 378 | G | 90.5 | Very high | 86.9 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | trans | -57.9 | 129.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V361 A363 | V361-G378 CarbonylContact O-C 3.58Å; V361-G378 WeakPolarHBondContact O-CA 3.37Å; A363-G378 PolarHBondContact O-N 2.94Å | ||
| 379 | I | 94.3 | Very high | 87.8 | Confident | 20 Ų | 20 | 68 Ų | 68 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.4 | 177.7 | 57.6 | 158.5 | 0 | 0 | 0 | 111.3 | F360 V361 R377 A506 K509 W513 | F360-I379 WeakPolarHBondContact CA-O 3.45Å; F360-I379 VanDerWaalsContact CD2-O 3.25Å; F360-I379 WeakPolarHBondContact CD2-O 3.5Å; V361-I379 HydrophobicContact CB-CD1 4.31Å; V361-I379 HydrophobicContact CB-CG1 3.62Å; V361-I379 HydrophobicContact CG2-CD1 3.91Å; V361-I379 HydrophobicContact CG2-CG1 3.74Å; V361-I379 PolarHBondContact N-O 3.42Å; V361-I379 PolarHBondContact O-N 3.31Å; R377-I379 PolarHBondContact O-N 3.09Å; I379-A506 HydrophobicContact CD1-CB 4.14Å; I379-A506 WeakPolarHBondContact CD1-O 3.37Å; I379-K509 HydrophobicContact CD1-CB 4.18Å; I379-W513 HydrophobicContact CG2-CE3 4.39Å; I379-W513 HydrophobicContact CG2-CZ3 4.21Å |
| 380 | L | 95.6 | Very high | 89.1 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.5 | 168.6 | -173.6 | 69.5 | 0 | 0 | 0 | 107.7 | C358 Y359 F360 L383 I392 | C358-L380 VanDerWaalsContact SG-CD1 3.59Å; Y359-L380 WeakPolarHBondContact O-CA 3.45Å; F360-L380 HydrophobicContact CB-CD1 3.96Å; F360-L380 HydrophobicContact CD1-CD1 4.49Å; F360-L380 HydrophobicContact CG-CD1 4.11Å; L380-L383 HydrophobicContact CD2-CD1 4.27Å; L380-L383 HydrophobicContact CD2-CD2 4.04Å; L380-L383 HydrophobicContact CG-CD2 4.05Å; L380-I392 HydrophobicContact CD1-CG2 4.36Å; L380-I392 HydrophobicContact CD2-CD1 3.83Å; L380-I392 HydrophobicContact CD2-CG1 3.97Å; L380-I392 HydrophobicContact CD2-CG2 4.16Å |
| 381 | C | 95.4 | Very high | 90.2 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 170.7 | -175.8 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | C358 Y359 | C358-C381 WeakPolarHBondContact CA-O 3.24Å; Y359-C381 PolarHBondContact N-O 3.29Å; Y359-C381 PolarHBondContact O-N 3.47Å |
| 382 | G | 94.4 | Very high | 91 | Very high | 41 Ų | 41 | 63.7 Ų | 63.7 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | trans | 76.1 | 21.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G357 | G357-G382 WeakPolarHBondContact O-CA 3.36Š| ||
| 383 | L | 95.9 | Very high | 92.1 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | trans | -70.8 | 135.9 | 177.3 | -55.2 | -178.7 | 0 | 0 | 0 | 111 | L380 T387 | L380-L383 HydrophobicContact CD2-CD1 4.27Å; L380-L383 HydrophobicContact CD2-CD2 4.04Å; L380-L383 HydrophobicContact CG-CD2 4.05Å; L383-T387 HydrophobicContact CD2-CG2 3.59Å | ||
| 384 | T | 94.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | trans | -124.7 | 173.8 | 171.6 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | F386 T387 | T384-F386 PolarHBondContact O-N 2.78Å; T384-F386 VanDerWaalsContact O-N 3.11Å; T384-F386 PolarHBondContact OG1-N 3.36Å; T384-T387 PolarHBondContact N-OG1 2.97Å; T384-T387 WeakPolarHBondContact O-CB 3.4Å; T384-T387 PolarHBondContact O-N 2.74Å; T384-T387 PolarHBondContact O-OG1 3.03Å; T384-T387 PolarHBondContact OG1-OG1 3.48Å | ||
| 385 | Q | 94.6 | Very high | 93.8 | Very high | 209 Ų | 209 | 50.9 Ų | 50.9 | 98% | 0.977 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.4 | 174.6 | -68.7 | 179.4 | -10.2 | 0 | 0 | 113.4 | ||
| 386 | F | 92.7 | Very high | 94.5 | Very high | 131 Ų | 131 | 50 Ų | 50 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -22.1 | 175.8 | -177.6 | -104.4 | 0 | 0 | 0 | 112.8 | Y356 T384 N388 H391 | Y356-F386 AromaticContact CD2-CE1 3.95Å; Y356-F386 HydrophobicContact CD2-CE1 3.95Å; Y356-F386 HydrophobicContact CE2-CE1 4.14Å; Y356-F386 HydrophobicContact CG-CE1 4.22Å; T384-F386 PolarHBondContact O-N 2.78Å; T384-F386 VanDerWaalsContact O-N 3.11Å; T384-F386 PolarHBondContact OG1-N 3.36Å; F386-N388 PolarHBondContact O-N 2.83Å; F386-H391 AromaticContact CD1-CE1 3.87Å; F386-H391 AromaticContact CD1-NE2 3.82Å; F386-H391 AromaticContact CE1-CE1 3.57Å; F386-H391 AromaticContact CE1-NE2 3.33Å; F386-H391 VanDerWaalsContact CE1-NE2 3.33Å; F386-H391 WeakPolarHBondContact CE1-NE2 3.48Å |
| 387 | T | 96.1 | Very high | 95 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 27% | 0.266 | C | S | . | . | trans | -67.2 | 134.3 | -173.9 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | C358 L383 T384 H391 | C358-T387 HydrophobicContact CB-CG2 4.36Å; L383-T387 HydrophobicContact CD2-CG2 3.59Å; T384-T387 PolarHBondContact N-OG1 2.97Å; T384-T387 WeakPolarHBondContact O-CB 3.4Å; T384-T387 PolarHBondContact O-N 2.74Å; T384-T387 PolarHBondContact O-OG1 3.03Å; T384-T387 PolarHBondContact OG1-OG1 3.48Å; T387-H391 HydrophobicContact CG2-CB 3.87Å | ||
| 388 | N | 94.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | trans | -136.1 | -179.9 | -179.7 | 69.9 | 30.3 | 0 | 0 | 0 | 110.7 | F386 C390 H391 I392 | F386-N388 PolarHBondContact O-N 2.83Å; N388-C390 PolarHBondContact O-N 2.95Å; N388-C390 VanDerWaalsContact O-N 3.17Å; N388-C390 WeakPolarHBondContact OD1-CA 3.17Å; N388-C390 VanDerWaalsContact OD1-CB 3.24Å; N388-C390 WeakPolarHBondContact OD1-CB 3.3Å; N388-C390 PolarHBondContact OD1-N 3.21Å; N388-H391 PolarHBondContact N-ND1 3.06Å; N388-H391 VanDerWaalsContact N-ND1 3.14Å; N388-H391 WeakPolarHBondContact O-CB 3.32Å; N388-H391 PolarHBondContact O-N 3.29Å; N388-H391 VanDerWaalsContact O-N 3.13Å; N388-H391 PolarHBondContact OD1-N 3.04Å; N388-H391 PolarHBondContact OD1-ND1 2.8Å; N388-I392 PolarHBondContact O-N 3.27Å | ||
| 389 | K | 95.6 | Very high | 95.6 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.4 | -30.8 | -178.2 | 70.8 | 176.4 | -178 | 172.3 | 0 | 114.4 | I338 I392 A393 | I338-K389 HydrophobicContact CG1-CB 4.47Å; I338-K389 HydrophobicContact CG2-CB 4.06Å; K389-I392 PolarHBondContact O-N 2.96Å; K389-A393 WeakPolarHBondContact O-CB 3.25Å; K389-A393 PolarHBondContact O-N 3.34Å |
| 390 | C | 96.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 179.9 | -52 | 0 | 0 | 0 | 0 | 111.4 | L348 E351 V352 N388 A393 F394 | L348-C390 HydrophobicContact CB-CB 4.45Å; L348-C390 WeakPolarHBondContact O-CB 3.36Å; E351-C390 PolarHBondContact OE2-SG 3.34Å; V352-C390 HydrophobicContact CG1-CB 3.54Å; V352-C390 HydrophobicContact CG2-CB 4.17Å; N388-C390 PolarHBondContact O-N 2.95Å; N388-C390 VanDerWaalsContact O-N 3.17Å; N388-C390 WeakPolarHBondContact OD1-CA 3.17Å; N388-C390 VanDerWaalsContact OD1-CB 3.24Å; N388-C390 WeakPolarHBondContact OD1-CB 3.3Å; N388-C390 PolarHBondContact OD1-N 3.21Å; C390-A393 PolarHBondContact O-N 3.01Å; C390-F394 PolarHBondContact O-N 2.74Å |
| 391 | H | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 172.9 | -59.2 | 95.7 | 0 | 0 | 0 | 112.3 | Y356 F386 T387 N388 F394 A395 | Y356-H391 AromaticContact CD2-CD2 3.53Å; Y356-H391 AromaticContact CD2-NE2 3.26Å; Y356-H391 VanDerWaalsContact CD2-NE2 3.26Å; Y356-H391 WeakPolarHBondContact CD2-NE2 3.17Å; Y356-H391 AromaticContact CE2-NE2 3.95Å; F386-H391 AromaticContact CD1-CE1 3.87Å; F386-H391 AromaticContact CD1-NE2 3.82Å; F386-H391 AromaticContact CE1-CE1 3.57Å; F386-H391 AromaticContact CE1-NE2 3.33Å; F386-H391 VanDerWaalsContact CE1-NE2 3.33Å; F386-H391 WeakPolarHBondContact CE1-NE2 3.48Å; T387-H391 HydrophobicContact CG2-CB 3.87Å; N388-H391 PolarHBondContact N-ND1 3.06Å; N388-H391 VanDerWaalsContact N-ND1 3.14Å; N388-H391 WeakPolarHBondContact O-CB 3.32Å; N388-H391 PolarHBondContact O-N 3.29Å; N388-H391 VanDerWaalsContact O-N 3.13Å; N388-H391 PolarHBondContact OD1-N 3.04Å; N388-H391 PolarHBondContact OD1-ND1 2.8Å; H391-F394 PolarHBondContact O-N 3.01Å; H391-A395 WeakPolarHBondContact O-CB 3.43Å; H391-A395 PolarHBondContact O-N 3.36Å |
| 392 | I | 96.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 177.4 | -59.1 | 175.5 | 0 | 0 | 0 | 110.4 | L332 I338 L380 N388 K389 F394 A395 A396 | L332-I392 HydrophobicContact CD2-CG2 4.09Å; I338-I392 HydrophobicContact CD1-CB 4.41Å; I338-I392 HydrophobicContact CD1-CD1 4.31Å; I338-I392 HydrophobicContact CD1-CG2 4.03Å; L380-I392 HydrophobicContact CD1-CG2 4.36Å; L380-I392 HydrophobicContact CD2-CD1 3.83Å; L380-I392 HydrophobicContact CD2-CG1 3.97Å; L380-I392 HydrophobicContact CD2-CG2 4.16Å; N388-I392 PolarHBondContact O-N 3.27Å; K389-I392 PolarHBondContact O-N 2.96Å; I392-F394 VanDerWaalsContact C-N 3.33Å; I392-F394 PolarHBondContact O-N 3.03Å; I392-A395 PolarHBondContact O-N 2.66Å; I392-A396 WeakPolarHBondContact O-CB 3.48Å; I392-A396 PolarHBondContact O-N 2.95Å |
| 393 | A | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I345 L348 K389 C390 A396 L397 | I345-A393 HydrophobicContact CG1-CB 3.85Å; L348-A393 HydrophobicContact CB-CB 3.79Å; L348-A393 HydrophobicContact CD1-CB 4.1Å; K389-A393 WeakPolarHBondContact O-CB 3.25Å; K389-A393 PolarHBondContact O-N 3.34Å; C390-A393 PolarHBondContact O-N 3.01Å; A393-A396 PolarHBondContact O-N 2.96Å; A393-L397 PolarHBondContact O-N 3.45Å |
| 394 | F | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 174.9 | -167.4 | -76.1 | 0 | 0 | 0 | 111.8 | A349 V352 G353 T354 S355 C390 H391 I392 A396 L397 E398 L437 | A349-F394 HydrophobicContact CB-CB 4.26Å; A349-F394 HydrophobicContact CB-CD2 3.96Å; A349-F394 WeakPolarHBondContact O-CD2 3.39Å; V352-F394 HydrophobicContact CG2-CB 4.06Å; V352-F394 HydrophobicContact CG2-CD2 4.28Å; V352-F394 HydrophobicContact CG2-CG 4.47Å; G353-F394 VanDerWaalsContact O-CE2 3.25Å; G353-F394 WeakPolarHBondContact O-CE2 3.43Å; G353-F394 VanDerWaalsContact O-CZ 3.28Å; G353-F394 WeakPolarHBondContact O-CZ 3.15Å; T354-F394 VanDerWaalsContact CA-CZ 3.49Å; S355-F394 VanDerWaalsContact N-CD1 3.34Å; C390-F394 PolarHBondContact O-N 2.74Å; H391-F394 PolarHBondContact O-N 3.01Å; I392-F394 VanDerWaalsContact C-N 3.33Å; I392-F394 PolarHBondContact O-N 3.03Å; F394-A396 PolarHBondContact O-N 3.11Å; F394-L397 PolarHBondContact O-N 3.21Å; F394-L397 VanDerWaalsContact O-N 3.09Å; F394-E398 HydrophobicContact CD1-CB 4.36Å; F394-E398 HydrophobicContact CE1-CB 4.4Å; F394-E398 HydrophobicContact CE1-CG 4.4Å; F394-E398 WeakPolarHBondContact O-CB 3.41Å; F394-E398 PolarHBondContact O-N 3.47Å; F394-L437 HydrophobicContact CE1-CD1 4.22Å; F394-L437 HydrophobicContact CE1-CD2 3.9Å; F394-L437 HydrophobicContact CE2-CD1 4.34Å; F394-L437 HydrophobicContact CE2-CD2 4.27Å; F394-L437 HydrophobicContact CZ-CD1 4.07Å; F394-L437 HydrophobicContact CZ-CD2 3.47Å; F394-L437 VanDerWaalsContact CZ-CD2 3.47Å; F394-L437 HydrophobicContact CZ-CG 4.32Å |
| 395 | A | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -31.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C358 F360 H391 I392 A399 | C358-A395 HydrophobicContact CB-CB 4.38Å; C358-A395 WeakPolarHBondContact O-CB 3.4Å; F360-A395 HydrophobicContact CB-CB 4.32Å; H391-A395 WeakPolarHBondContact O-CB 3.43Å; H391-A395 PolarHBondContact O-N 3.36Å; I392-A395 PolarHBondContact O-N 2.66Å; A395-A399 VanDerWaalsContact O-CB 3.25Å; A395-A399 WeakPolarHBondContact O-CB 3.22Å; A395-A399 PolarHBondContact O-N 2.99Å |
| 396 | A | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V328 L332 I345 F360 I392 A393 F394 V400 | V328-A396 HydrophobicContact CG1-CB 4.35Å; V328-A396 HydrophobicContact CG2-CB 4.21Å; L332-A396 HydrophobicContact CD1-CB 3.59Å; I345-A396 HydrophobicContact CD1-CB 4.44Å; F360-A396 HydrophobicContact CD1-CB 3.89Å; F360-A396 HydrophobicContact CE1-CB 4.38Å; I392-A396 WeakPolarHBondContact O-CB 3.48Å; I392-A396 PolarHBondContact O-N 2.95Å; A393-A396 PolarHBondContact O-N 2.96Å; F394-A396 PolarHBondContact O-N 3.11Å; A396-V400 PolarHBondContact O-N 2.94Å |
| 397 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 172.9 | -64 | 177.6 | 0 | 0 | 0 | 110.9 | I329 I345 A349 A393 F394 A399 V400 C401 V433 L434 L437 | I329-L397 HydrophobicContact CD1-CD2 3.93Å; I345-L397 HydrophobicContact CD1-CD2 3.92Å; I345-L397 HydrophobicContact CD1-CG 4.04Å; I345-L397 HydrophobicContact CG1-CD2 4.47Å; I345-L397 HydrophobicContact CG1-CG 4.34Å; I345-L397 HydrophobicContact CG2-CD2 4.28Å; A349-L397 HydrophobicContact CB-CD1 3.78Å; A393-L397 PolarHBondContact O-N 3.45Å; F394-L397 PolarHBondContact O-N 3.21Å; F394-L397 VanDerWaalsContact O-N 3.09Å; L397-A399 VanDerWaalsContact C-N 3.28Å; L397-A399 PolarHBondContact O-N 2.97Å; L397-V400 WeakPolarHBondContact O-CB 3.3Å; L397-V400 PolarHBondContact O-N 3.46Å; L397-V400 VanDerWaalsContact O-N 3.14Å; L397-C401 PolarHBondContact O-N 3.06Å; L397-V433 HydrophobicContact CD1-CB 4.37Å; L397-V433 HydrophobicContact CD1-CG1 4.13Å; L397-L434 HydrophobicContact CB-CD1 4.19Å; L397-L434 HydrophobicContact CD2-CB 4.39Å; L397-L434 HydrophobicContact CD2-CD1 4.2Å; L397-L437 HydrophobicContact CB-CD1 3.99Å |
| 398 | E | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 179.2 | -153.3 | 179.5 | -151.4 | 0 | 0 | 111.5 | S355 F394 V400 C401 F402 R499 | S355-E398 WeakPolarHBondContact CB-OE2 3.28Å; S355-E398 PolarHBondContact OG-OE2 3.41Å; F394-E398 HydrophobicContact CD1-CB 4.36Å; F394-E398 HydrophobicContact CE1-CB 4.4Å; F394-E398 HydrophobicContact CE1-CG 4.4Å; F394-E398 WeakPolarHBondContact O-CB 3.41Å; F394-E398 PolarHBondContact O-N 3.47Å; E398-V400 VanDerWaalsContact C-N 3.34Å; E398-V400 PolarHBondContact O-N 3.3Å; E398-C401 WeakPolarHBondContact O-CA 3.46Å; E398-C401 WeakPolarHBondContact O-CB 3.5Å; E398-C401 PolarHBondContact O-N 2.68Å; E398-C401 VanDerWaalsContact O-N 3.09Å; E398-F402 HydrophobicContact CB-CE2 4.15Å; E398-F402 HydrophobicContact CG-CD2 4.2Å; E398-F402 HydrophobicContact CG-CE2 3.46Å; E398-F402 VanDerWaalsContact CG-CE2 3.46Å; E398-F402 HydrophobicContact CG-CZ 3.68Å; E398-F402 WeakPolarHBondContact O-CD2 3.41Å; E398-F402 WeakPolarHBondContact O-CG 3.32Å; E398-F402 PolarHBondContact O-N 2.89Å; E398-R499 IonicContact OE1-CZ 2.78Å; E398-R499 IonicContact OE1-NH1 2.66Å; E398-R499 PolarHBondContact OE1-NH1 2.87Å |
| 399 | A | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F360 P362 A395 L397 C401 F402 Q403 | F360-A399 HydrophobicContact CB-CB 4.25Å; F360-A399 WeakPolarHBondContact O-CB 3.2Å; P362-A399 HydrophobicContact CG-CB 4.35Å; A395-A399 VanDerWaalsContact O-CB 3.25Å; A395-A399 WeakPolarHBondContact O-CB 3.22Å; A395-A399 PolarHBondContact O-N 2.99Å; L397-A399 VanDerWaalsContact C-N 3.28Å; L397-A399 PolarHBondContact O-N 2.97Å; A399-C401 VanDerWaalsContact C-N 3.3Å; A399-F402 PolarHBondContact O-N 3.41Å; A399-Q403 WeakPolarHBondContact O-CG 3.42Å; A399-Q403 PolarHBondContact O-N 3.1Å |
| 400 | V | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | Y279 A325 V328 A396 L397 E398 T404 M428 L434 | Y279-V400 HydrophobicContact CD1-CG1 3.96Å; Y279-V400 HydrophobicContact CE1-CG1 3.94Å; A325-V400 HydrophobicContact CB-CG1 3.93Å; A325-V400 HydrophobicContact CB-CG2 4.39Å; V328-V400 HydrophobicContact CG1-CG2 3.99Å; A396-V400 PolarHBondContact O-N 2.94Å; L397-V400 WeakPolarHBondContact O-CB 3.3Å; L397-V400 PolarHBondContact O-N 3.46Å; L397-V400 VanDerWaalsContact O-N 3.14Å; E398-V400 VanDerWaalsContact C-N 3.34Å; E398-V400 PolarHBondContact O-N 3.3Å; V400-T404 WeakPolarHBondContact O-CB 3.43Å; V400-T404 PolarHBondContact O-N 3.49Å; V400-T404 PolarHBondContact O-OG1 3.37Å; V400-M428 HydrophobicContact CG1-CE 4.34Å; V400-M428 HydrophobicContact CG2-CE 4.25Å; V400-L434 HydrophobicContact CB-CD1 4.34Å |
| 401 | C | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | L397 E398 A399 T404 R405 Q438 I441 | L397-C401 PolarHBondContact O-N 3.06Å; E398-C401 WeakPolarHBondContact O-CA 3.46Å; E398-C401 WeakPolarHBondContact O-CB 3.5Å; E398-C401 PolarHBondContact O-N 2.68Å; E398-C401 VanDerWaalsContact O-N 3.09Å; A399-C401 VanDerWaalsContact C-N 3.3Å; C401-T404 PolarHBondContact O-N 2.94Å; C401-R405 WeakPolarHBondContact O-CB 3.49Å; C401-R405 PolarHBondContact O-N 2.8Å; C401-Q438 VanDerWaalsContact CA-OE1 3.3Å; C401-Q438 PolarHBondContact O-NE2 2.86Å; C401-Q438 PolarHBondContact SG-N 2.99Å; C401-I441 HydrophobicContact CB-CB 4.17Å; C401-I441 HydrophobicContact CB-CG1 4.08Å; C401-I441 HydrophobicContact CB-CG2 4.34Å |
| 402 | F | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.5 | -67.2 | -51.7 | 0 | 0 | 0 | 112.9 | Y359 E398 A399 T404 R405 E406 I441 R499 Y500 W503 | Y359-F402 HydrophobicContact CD1-CE2 4.09Å; Y359-F402 HydrophobicContact CE1-CE2 4.04Å; Y359-F402 HydrophobicContact CE1-CZ 4.18Å; E398-F402 HydrophobicContact CB-CE2 4.15Å; E398-F402 HydrophobicContact CG-CD2 4.2Å; E398-F402 HydrophobicContact CG-CE2 3.46Å; E398-F402 VanDerWaalsContact CG-CE2 3.46Å; E398-F402 HydrophobicContact CG-CZ 3.68Å; E398-F402 WeakPolarHBondContact O-CD2 3.41Å; E398-F402 WeakPolarHBondContact O-CG 3.32Å; E398-F402 PolarHBondContact O-N 2.89Å; A399-F402 PolarHBondContact O-N 3.41Å; F402-T404 VanDerWaalsContact C-N 3.27Å; F402-T404 PolarHBondContact O-N 3.23Å; F402-R405 WeakPolarHBondContact O-CB 3.42Å; F402-R405 PolarHBondContact O-N 3.24Å; F402-R405 VanDerWaalsContact O-N 3.09Å; F402-E406 PolarHBondContact O-N 3.08Å; F402-I441 HydrophobicContact CD1-CD1 4.31Å; F402-I441 HydrophobicContact CD1-CG1 4.44Å; F402-I441 HydrophobicContact CD1-CG2 3.67Å; F402-I441 HydrophobicContact CE1-CD1 3.54Å; F402-I441 HydrophobicContact CE1-CG1 4.11Å; F402-I441 HydrophobicContact CE1-CG2 3.98Å; F402-I441 HydrophobicContact CZ-CD1 3.98Å; F402-R499 HydrophobicContact CE1-CB 4.11Å; F402-R499 HydrophobicContact CZ-CB 3.92Å; F402-Y500 HydrophobicContact CB-CD2 4.49Å; F402-Y500 AromaticContact CD1-CD2 3.76Å; F402-Y500 HydrophobicContact CD1-CD2 3.76Å; F402-Y500 HydrophobicContact CD1-CG 4.43Å; F402-Y500 HydrophobicContact CE1-CD2 4.46Å; F402-Y500 HydrophobicContact CG-CD2 4.48Å; F402-W503 HydrophobicContact CB-CD2 3.42Å; F402-W503 VanDerWaalsContact CB-CD2 3.42Å; F402-W503 HydrophobicContact CB-CE3 3.46Å; F402-W503 VanDerWaalsContact CB-CE3 3.46Å; F402-W503 HydrophobicContact CB-CG 3.99Å; F402-W503 HydrophobicContact CB-CH2 3.82Å; F402-W503 HydrophobicContact CB-CZ2 3.86Å; F402-W503 HydrophobicContact CB-CZ3 3.6Å; F402-W503 HydrophobicContact CD1-CB 4.36Å; F402-W503 HydrophobicContact CD1-CG 4.5Å; F402-W503 HydrophobicContact CD2-CB 3.66Å; F402-W503 AromaticContact CD2-CD1 3.4Å; F402-W503 VanDerWaalsContact CD2-CD1 3.4Å; F402-W503 AromaticContact CD2-CD2 3.72Å; F402-W503 HydrophobicContact CD2-CD2 3.72Å; F402-W503 HydrophobicContact CD2-CE3 4.43Å; F402-W503 AromaticContact CD2-CG 3.29Å; F402-W503 HydrophobicContact CD2-CG 3.29Å; F402-W503 AromaticContact CD2-NE1 3.84Å; F402-W503 HydrophobicContact CE1-CB 4.41Å; F402-W503 HydrophobicContact CE2-CB 3.72Å; F402-W503 AromaticContact CE2-CD1 3.92Å; F402-W503 AromaticContact CE2-CG 3.81Å; F402-W503 HydrophobicContact CE2-CG 3.81Å; F402-W503 HydrophobicContact CG-CB 4.02Å; F402-W503 AromaticContact CG-CD2 3.7Å; F402-W503 HydrophobicContact CG-CD2 3.7Å; F402-W503 AromaticContact CG-CE3 3.97Å; F402-W503 HydrophobicContact CG-CE3 3.97Å; F402-W503 AromaticContact CG-CG 3.71Å; F402-W503 HydrophobicContact CG-CG 3.71Å; F402-W503 HydrophobicContact CZ-CB 4.12Å |
| 403 | Q | 93.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 15.1 Ų | 15.1 | 8% | 0.075 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 175.4 | -69.8 | 178.7 | 112.4 | 0 | 0 | 111 | V322 I324 A399 R405 E406 I407 W503 | V322-Q403 HydrophobicContact CB-CB 4.49Å; V322-Q403 HydrophobicContact CG1-CB 3.7Å; V322-Q403 HydrophobicContact CG1-CG 4.12Å; V322-Q403 HydrophobicContact CG2-CB 3.93Å; I324-Q403 PolarHBondContact O-NE2 3.17Å; A399-Q403 WeakPolarHBondContact O-CG 3.42Å; A399-Q403 PolarHBondContact O-N 3.1Å; Q403-R405 VanDerWaalsContact C-N 3.33Å; Q403-R405 PolarHBondContact O-N 3.43Å; Q403-E406 PolarHBondContact O-N 3.23Å; Q403-I407 WeakPolarHBondContact O-CG1 3.34Å; Q403-I407 PolarHBondContact O-N 3.33Å; Q403-W503 HydrophobicContact CB-CH2 4.49Å; Q403-W503 HydrophobicContact CG-CH2 3.79Å; Q403-W503 HydrophobicContact CG-CZ2 3.72Å |
| 404 | T | 93.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | N277 V400 C401 F402 E406 I407 L408 L422 | N277-T404 WeakPolarHBondContact ND2-CG2 3.32Å; N277-T404 PolarHBondContact ND2-OG1 3.29Å; V400-T404 WeakPolarHBondContact O-CB 3.43Å; V400-T404 PolarHBondContact O-N 3.49Å; V400-T404 PolarHBondContact O-OG1 3.37Å; C401-T404 PolarHBondContact O-N 2.94Å; F402-T404 VanDerWaalsContact C-N 3.27Å; F402-T404 PolarHBondContact O-N 3.23Å; T404-E406 PolarHBondContact O-N 2.99Å; T404-I407 PolarHBondContact O-N 3.09Å; T404-L408 HydrophobicContact CG2-CD1 3.87Å; T404-L408 WeakPolarHBondContact O-CG 3.47Å; T404-L408 PolarHBondContact O-N 2.7Å; T404-L408 VanDerWaalsContact O-N 3.1Å; T404-L422 HydrophobicContact CG2-CD2 4.19Å |
| 405 | R | 94.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 17 Ų | 17 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.7 | 178.5 | 172.7 | 171.9 | 165.7 | -3.8 | 112.7 | C401 F402 Q403 I407 L408 E409 I441 L442 S496 E497 Y500 | C401-R405 WeakPolarHBondContact O-CB 3.49Å; C401-R405 PolarHBondContact O-N 2.8Å; F402-R405 WeakPolarHBondContact O-CB 3.42Å; F402-R405 PolarHBondContact O-N 3.24Å; F402-R405 VanDerWaalsContact O-N 3.09Å; Q403-R405 VanDerWaalsContact C-N 3.33Å; Q403-R405 PolarHBondContact O-N 3.43Å; R405-I407 VanDerWaalsContact C-N 3.35Å; R405-I407 PolarHBondContact O-N 3.22Å; R405-L408 PolarHBondContact O-N 3.28Å; R405-E409 HydrophobicContact CG-CG 4.41Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact NE-OE1 3.93Å; R405-E409 PolarHBondContact NE-OE1 3.24Å; R405-E409 IonicContact NH2-OE1 3.73Å; R405-E409 PolarHBondContact NH2-OE1 2.94Å; R405-E409 PolarHBondContact O-N 3.41Å; R405-I441 HydrophobicContact CB-CG2 4.09Å; R405-I441 VanDerWaalsContact CD-O 3.29Å; R405-I441 WeakPolarHBondContact CD-O 3.36Å; R405-I441 PolarHBondContact NH1-O 3.42Å; R405-L442 HydrophobicContact CB-CD2 3.55Å; R405-L442 HydrophobicContact CG-CD2 3.82Å; R405-S496 PolarHBondContact NH1-OG 3.1Å; R405-E497 IonicContact CZ-OE1 2.84Å; R405-E497 IonicContact NH1-OE1 2.79Å; R405-E497 IonicContact NH2-OE1 2.72Å; R405-E497 PolarHBondContact NH2-OE1 2.86Å; R405-E497 IonicContact NH2-OE2 3.66Å; R405-E497 PolarHBondContact NH2-OE2 3.42Å; R405-Y500 HydrophobicContact CB-CE2 4.43Å; R405-Y500 HydrophobicContact CG-CD2 4.47Å; R405-Y500 HydrophobicContact CG-CE1 4.48Å; R405-Y500 HydrophobicContact CG-CE2 4.15Å; R405-Y500 VanDerWaalsContact CZ-CD1 3.46Å |
| 406 | E | 91.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 5% | 0.051 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.5 | -75.5 | -175.7 | 143.2 | 0 | 0 | 112.6 | P370 Y371 F402 Q403 T404 L408 E409 A410 Y500 W503 | P370-E406 HydrophobicContact CG-CB 4.47Å; Y371-E406 VanDerWaalsContact CE2-OE1 3.24Å; Y371-E406 WeakPolarHBondContact CE2-OE1 3.46Å; Y371-E406 WeakPolarHBondContact CE2-OE2 3.41Å; Y371-E406 PolarHBondContact OH-OE1 3.46Å; F402-E406 PolarHBondContact O-N 3.08Å; Q403-E406 PolarHBondContact O-N 3.23Å; T404-E406 PolarHBondContact O-N 2.99Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.89Å; E406-E409 PolarHBondContact O-N 3.5Å; E406-A410 PolarHBondContact O-N 3.49Å; E406-Y500 HydrophobicContact CG-CE2 3.71Å; E406-Y500 VanDerWaalsContact CG-OH 3.24Å; E406-Y500 WeakPolarHBondContact CG-OH 3.48Å; E406-W503 VanDerWaalsContact CD-CH2 3.45Å; E406-W503 HydrophobicContact CG-CH2 4.26Å; E406-W503 HydrophobicContact CG-CZ3 3.74Å; E406-W503 WeakPolarHBondContact OE1-CZ3 3.34Å; E406-W503 WeakPolarHBondContact OE2-CH2 3.11Å; E406-W503 WeakPolarHBondContact OE2-CZ3 3.24Å |
| 407 | I | 91.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.8 | -56 | -60.3 | 0 | 0 | 0 | 110.3 | L285 L300 V322 A369 Q403 T404 R405 E409 A410 M411 | L285-I407 HydrophobicContact CB-CG2 4.16Å; L285-I407 HydrophobicContact CD2-CB 3.99Å; L285-I407 HydrophobicContact CD2-CG2 3.49Å; L285-I407 VanDerWaalsContact CD2-CG2 3.49Å; L285-I407 HydrophobicContact CG-CG2 4.48Å; L300-I407 HydrophobicContact CD2-CD1 4.44Å; L300-I407 HydrophobicContact CD2-CG2 3.83Å; V322-I407 HydrophobicContact CG2-CG1 3.92Å; A369-I407 HydrophobicContact CB-CD1 3.84Å; A369-I407 WeakPolarHBondContact O-CD1 3.22Å; Q403-I407 WeakPolarHBondContact O-CG1 3.34Å; Q403-I407 PolarHBondContact O-N 3.33Å; T404-I407 PolarHBondContact O-N 3.09Å; R405-I407 VanDerWaalsContact C-N 3.35Å; R405-I407 PolarHBondContact O-N 3.22Å; I407-E409 VanDerWaalsContact C-N 3.34Å; I407-E409 PolarHBondContact O-N 3.45Å; I407-A410 WeakPolarHBondContact O-CB 3.38Å; I407-A410 PolarHBondContact O-N 3.49Å; I407-M411 HydrophobicContact CG2-CE 3.95Å; I407-M411 WeakPolarHBondContact O-CG 3.44Å; I407-M411 PolarHBondContact O-N 2.86Å |
| 408 | L | 91.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 177.6 | -70.5 | 161.3 | 0 | 0 | 0 | 111.9 | L285 T404 R405 E406 M411 N412 L419 L422 L442 | L285-L408 HydrophobicContact CD1-CD2 3.84Å; L285-L408 HydrophobicContact CD1-CG 4.26Å; L285-L408 HydrophobicContact CD2-CB 4.48Å; L285-L408 HydrophobicContact CD2-CD2 3.4Å; L285-L408 HydrophobicContact CD2-CG 3.55Å; L285-L408 HydrophobicContact CG-CD2 4.13Å; T404-L408 HydrophobicContact CG2-CD1 3.87Å; T404-L408 WeakPolarHBondContact O-CG 3.47Å; T404-L408 PolarHBondContact O-N 2.7Å; T404-L408 VanDerWaalsContact O-N 3.1Å; R405-L408 PolarHBondContact O-N 3.28Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.89Å; L408-M411 PolarHBondContact O-N 3.42Å; L408-N412 WeakPolarHBondContact O-CB 3.32Å; L408-N412 VanDerWaalsContact O-CG 3.28Å; L408-N412 PolarHBondContact O-N 3.38Å; L408-N412 PolarHBondContact O-ND2 3.28Å; L408-L419 HydrophobicContact CB-CD1 4.34Å; L408-L419 HydrophobicContact CD2-CD1 3.32Å; L408-L419 HydrophobicContact CG-CD1 4.41Å; L408-L422 HydrophobicContact CD1-CD1 4.49Å; L408-L422 HydrophobicContact CD1-CD2 4.17Å; L408-L422 HydrophobicContact CD2-CD1 4.15Å; L408-L442 HydrophobicContact CD1-CD1 3.55Å; L408-L442 HydrophobicContact CD1-CD2 3.37Å; L408-L442 HydrophobicContact CD1-CG 4.11Å |
| 409 | E | 90.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 27.3 Ų | 27.3 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 174.1 | -77.3 | -175 | -175.5 | 0 | 0 | 111.9 | R405 E406 I407 N412 R413 Y500 | R405-E409 HydrophobicContact CG-CG 4.41Å; R405-E409 IonicContact CZ-OE1 2.67Å; R405-E409 IonicContact NE-OE1 3.93Å; R405-E409 PolarHBondContact NE-OE1 3.24Å; R405-E409 IonicContact NH2-OE1 3.73Å; R405-E409 PolarHBondContact NH2-OE1 2.94Å; R405-E409 PolarHBondContact O-N 3.41Å; E406-E409 PolarHBondContact O-N 3.5Å; I407-E409 VanDerWaalsContact C-N 3.34Å; I407-E409 PolarHBondContact O-N 3.45Å; E409-N412 PolarHBondContact O-N 2.92Å; E409-R413 WeakPolarHBondContact O-CG 3.38Å; E409-R413 PolarHBondContact O-N 2.95Å; E409-R413 VanDerWaalsContact O-N 3.09Å; E409-R413 IonicContact OE2-NH2 3.74Å; E409-Y500 VanDerWaalsContact CD-CE1 3.46Å; E409-Y500 VanDerWaalsContact CD-OH 3.3Å; E409-Y500 WeakPolarHBondContact OE1-CE1 3.16Å; E409-Y500 WeakPolarHBondContact OE2-CE1 3.09Å; E409-Y500 PolarHBondContact OE2-OH 2.98Å |
| 410 | A | 90.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | H298 L300 E406 I407 N412 R413 D414 | H298-A410 HydrophobicContact CB-CB 3.88Å; L300-A410 HydrophobicContact CD1-CB 4.05Å; L300-A410 HydrophobicContact CD2-CB 4.34Å; L300-A410 HydrophobicContact CG-CB 4.28Å; E406-A410 PolarHBondContact O-N 3.49Å; I407-A410 WeakPolarHBondContact O-CB 3.38Å; I407-A410 PolarHBondContact O-N 3.49Å; A410-N412 PolarHBondContact O-N 2.94Å; A410-R413 PolarHBondContact O-N 2.85Å; A410-D414 PolarHBondContact O-N 3.48Å |
| 411 | M | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.2 | -76 | -175.5 | 177.4 | 0 | 0 | 112.2 | L285 C287 L300 L318 I407 L408 R413 D414 C415 | L285-M411 HydrophobicContact CB-CE 4.18Å; L285-M411 HydrophobicContact CD2-CE 3.63Å; L285-M411 HydrophobicContact CD2-SD 3.35Å; L285-M411 WeakPolarHBondContact CD2-SD 3.42Å; L285-M411 HydrophobicContact CG-CE 3.99Å; L285-M411 HydrophobicContact CG-SD 4.04Å; L285-M411 VanDerWaalsContact O-CE 3.28Å; L285-M411 WeakPolarHBondContact O-CE 3.31Å; C287-M411 HydrophobicContact CB-CE 4.47Å; C287-M411 HydrophobicContact CB-SD 3.49Å; C287-M411 WeakPolarHBondContact CB-SD 3.32Å; L300-M411 HydrophobicContact CD1-CB 4.1Å; L300-M411 HydrophobicContact CD1-CE 4.47Å; L300-M411 HydrophobicContact CD1-CG 3.31Å; L318-M411 HydrophobicContact CB-CE 4.25Å; L318-M411 HydrophobicContact CB-CG 4.22Å; L318-M411 HydrophobicContact CD1-CG 4.47Å; L318-M411 VanDerWaalsContact O-CE 3.25Å; L318-M411 WeakPolarHBondContact O-CE 3.46Å; I407-M411 HydrophobicContact CG2-CE 3.95Å; I407-M411 WeakPolarHBondContact O-CG 3.44Å; I407-M411 PolarHBondContact O-N 2.86Å; L408-M411 PolarHBondContact O-N 3.42Å; M411-R413 VanDerWaalsContact C-N 3.28Å; M411-R413 PolarHBondContact O-N 2.84Å; M411-D414 PolarHBondContact O-N 2.95Å; M411-C415 VanDerWaalsContact O-CB 3.32Å; M411-C415 WeakPolarHBondContact O-CB 3.25Å; M411-C415 PolarHBondContact O-N 2.93Å |
| 412 | N | 88.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62 | -37.3 | 178 | -78.3 | -23.9 | 0 | 0 | 0 | 111.6 | L408 E409 A410 G416 I417 L419 | L408-N412 WeakPolarHBondContact O-CB 3.32Å; L408-N412 VanDerWaalsContact O-CG 3.28Å; L408-N412 PolarHBondContact O-N 3.38Å; L408-N412 PolarHBondContact O-ND2 3.28Å; E409-N412 PolarHBondContact O-N 2.92Å; A410-N412 PolarHBondContact O-N 2.94Å; N412-G416 VanDerWaalsContact O-CA 3.32Å; N412-G416 WeakPolarHBondContact O-CA 3.27Å; N412-G416 PolarHBondContact O-N 3.35Å; N412-I417 PolarHBondContact OD1-O 3.24Å; N412-L419 WeakPolarHBondContact OD1-CD1 3.37Å; N412-L419 PolarHBondContact OD1-N 2.87Å |
| 413 | R | 89.7 | Confident | 89.2 | Confident | 157 Ų | 157 | 39.5 Ų | 39.5 | 59% | 0.592 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69 | -39.2 | 176.5 | -70.8 | 176.7 | -163.7 | 169.6 | 10.3 | 112.5 | E409 A410 M411 | E409-R413 WeakPolarHBondContact O-CG 3.38Å; E409-R413 PolarHBondContact O-N 2.95Å; E409-R413 VanDerWaalsContact O-N 3.09Å; E409-R413 IonicContact OE2-NH2 3.74Å; A410-R413 PolarHBondContact O-N 2.85Å; M411-R413 VanDerWaalsContact C-N 3.28Å; M411-R413 PolarHBondContact O-N 2.84Å |
| 414 | D | 89.6 | Confident | 89.3 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.3 | -42 | 179.6 | -72.4 | -34.5 | 0 | 0 | 0 | 112.6 | V294 S296 E297 H298 L318 A410 M411 | V294-D414 HydrophobicContact CG1-CB 4.28Å; V294-D414 WeakPolarHBondContact CG1-O 3.15Å; S296-D414 WeakPolarHBondContact CA-OD2 3.27Å; S296-D414 WeakPolarHBondContact CB-OD2 3.43Å; S296-D414 PolarHBondContact OG-OD2 3.28Å; E297-D414 PolarHBondContact N-OD1 3.28Å; H298-D414 IonicContact CE1-OD1 3.66Å; H298-D414 IonicContact CG-OD1 2.85Å; H298-D414 IonicContact ND1-OD1 2.74Å; H298-D414 PolarHBondContact ND1-OD1 2.84Å; H298-D414 IonicContact ND1-OD2 2.98Å; L318-D414 HydrophobicContact CD1-CB 3.55Å; A410-D414 PolarHBondContact O-N 3.48Å; M411-D414 PolarHBondContact O-N 2.95Å |
| 415 | C | 84.3 | Confident | 89.2 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 14% | 0.135 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -82 | -31.5 | -178.4 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | T289 L318 M411 I417 | T289-C415 WeakPolarHBondContact CG2-SG 3.48Å; L318-C415 WeakPolarHBondContact CD1-SG 3.39Å; M411-C415 VanDerWaalsContact O-CB 3.32Å; M411-C415 WeakPolarHBondContact O-CB 3.25Å; M411-C415 PolarHBondContact O-N 2.93Å; C415-I417 HydrophobicContact CB-CB 4.37Å; C415-I417 HydrophobicContact CB-CG1 4.41Å; C415-I417 PolarHBondContact O-N 3.29Å |
| 416 | G | 83.1 | Confident | 89 | Confident | 63 Ų | 63 | 39 Ų | 39 | 65% | 0.649 | 20% | 0.204 | S | C | * | . | trans | 71 | 14.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N412 | N412-G416 VanDerWaalsContact O-CA 3.32Å; N412-G416 WeakPolarHBondContact O-CA 3.27Å; N412-G416 PolarHBondContact O-N 3.35Å | ||
| 417 | I | 79.1 | Confident | 88.8 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | trans | -117.3 | 114.6 | -174.6 | -58.1 | 175.7 | 0 | 0 | 0 | 108.6 | E272 N412 C415 L419 | E272-I417 HydrophobicContact CG-CD1 3.42Å; E272-I417 VanDerWaalsContact CG-CD1 3.42Å; E272-I417 WeakPolarHBondContact OE1-CD1 3.19Å; N412-I417 PolarHBondContact OD1-O 3.24Å; C415-I417 HydrophobicContact CB-CB 4.37Å; C415-I417 HydrophobicContact CB-CG1 4.41Å; C415-I417 PolarHBondContact O-N 3.29Å; I417-L419 PolarHBondContact O-N 2.76Å | ||
| 418 | P | 78.5 | Confident | 88.8 | Confident | 98 Ų | 98 | 42.1 Ų | 42.1 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | trans | -71.4 | 123.9 | 179.7 | 28.5 | -32.8 | 0 | 0 | 0 | 110.4 | R420 | P418-R420 PolarHBondContact O-N 3.28Š| ||
| 419 | L | 84.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | trans | -62.4 | 128.8 | 172.2 | -82.8 | 148.9 | 0 | 0 | 0 | 111.9 | G273 A275 L408 N412 I417 I444 | G273-L419 WeakPolarHBondContact O-CD2 3.36Å; A275-L419 HydrophobicContact CB-CD2 3.39Å; L408-L419 HydrophobicContact CB-CD1 4.34Å; L408-L419 HydrophobicContact CD2-CD1 3.32Å; L408-L419 HydrophobicContact CG-CD1 4.41Å; N412-L419 WeakPolarHBondContact OD1-CD1 3.37Å; N412-L419 PolarHBondContact OD1-N 2.87Å; I417-L419 PolarHBondContact O-N 2.76Å; L419-I444 HydrophobicContact CB-CD1 4.1Å | ||
| 420 | R | 87.1 | Confident | 88.9 | Confident | 208 Ų | 208 | 44.8 Ų | 44.8 | 79% | 0.785 | 25% | 0.25 | S | S | * | . | trans | -92.1 | -27 | -177.3 | -64.9 | -175.5 | -179.1 | -179.4 | 1.4 | 113.9 | P418 P445 | P418-R420 PolarHBondContact O-N 3.28Å; R420-P445 WeakPolarHBondContact O-CD 3.24Å | ||
| 421 | H | 91.7 | Very high | 89.1 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 19% | 0.185 | 25% | 0.253 | C | S | . | . | trans | -162.2 | 162.6 | 176.8 | 53.1 | -89.7 | 0 | 0 | 0 | 108 | Q423 P445 I447 | H421-Q423 VanDerWaalsContact CD2-CD 3.48Å; H421-Q423 PolarHBondContact CD2-NE2 3.44Å; H421-Q423 VanDerWaalsContact CD2-NE2 3.29Å; H421-Q423 PolarHBondContact CD2-OE1 3.44Å; H421-Q423 VanDerWaalsContact CD2-OE1 3.28Å; H421-Q423 PolarHBondContact NE2-NE2 2.84Å; H421-P445 CarbonylContact C-O 3.34Å; H421-P445 WeakPolarHBondContact CA-O 3.32Å; H421-P445 HydrophobicContact CB-CB 4.19Å; H421-P445 HydrophobicContact CB-CG 4.49Å; H421-P445 WeakPolarHBondContact CB-O 3.33Å; H421-I447 HydrophobicContact CB-CD1 3.98Å; H421-I447 HydrophobicContact CB-CG1 4.27Å; H421-I447 WeakPolarHBondContact CD2-CD1 3.48Å | ||
| 422 | L | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.7 | 175.6 | 179.6 | 66.9 | 0 | 0 | 0 | 110.1 | A275 N277 L285 T404 L408 V424 Q438 L442 P445 V446 I447 | A275-L422 HydrophobicContact CB-CD1 4.43Å; N277-L422 HydrophobicContact CB-CD1 4.16Å; N277-L422 HydrophobicContact CB-CD2 4.15Å; N277-L422 HydrophobicContact CB-CG 4.43Å; L285-L422 HydrophobicContact CD1-CD1 3.69Å; T404-L422 HydrophobicContact CG2-CD2 4.19Å; L408-L422 HydrophobicContact CD1-CD1 4.49Å; L408-L422 HydrophobicContact CD1-CD2 4.17Å; L408-L422 HydrophobicContact CD2-CD1 4.15Å; L422-V424 HydrophobicContact CD2-CG1 3.9Å; L422-V424 HydrophobicContact CG-CG1 3.86Å; L422-Q438 HydrophobicContact CD2-CG 4.16Å; L422-L442 HydrophobicContact CB-CD1 4.24Å; L422-L442 HydrophobicContact CD2-CD1 3.63Å; L422-P445 PolarHBondContact N-O 2.92Å; L422-V446 HydrophobicContact CB-CG2 4.43Å; L422-V446 CarbonylContact O-C 3.51Å; L422-V446 WeakPolarHBondContact O-CA 3.35Å; L422-I447 PolarHBondContact O-N 2.9Å |
| 423 | Q | 95.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.7 | 167.2 | -75.9 | 84.5 | -14.1 | 0 | 0 | 110 | Q267 A275 K276 N277 H421 I447 | Q267-Q423 HydrophobicContact CB-CB 4.04Å; Q267-Q423 HydrophobicContact CB-CG 4.18Å; Q267-Q423 HydrophobicContact CG-CB 4.13Å; A275-Q423 PolarHBondContact O-N 3.35Å; A275-Q423 VanDerWaalsContact O-N 3.1Å; A275-Q423 PolarHBondContact O-OE1 3.38Å; K276-Q423 CarbonylContact C-O 3.58Å; K276-Q423 WeakPolarHBondContact CA-O 3.35Å; K276-Q423 HydrophobicContact CB-CB 3.85Å; N277-Q423 PolarHBondContact N-O 2.9Å; H421-Q423 VanDerWaalsContact CD2-CD 3.48Å; H421-Q423 PolarHBondContact CD2-NE2 3.44Å; H421-Q423 VanDerWaalsContact CD2-NE2 3.29Å; H421-Q423 PolarHBondContact CD2-OE1 3.44Å; H421-Q423 VanDerWaalsContact CD2-OE1 3.28Å; H421-Q423 PolarHBondContact NE2-NE2 2.84Å; Q423-I447 WeakPolarHBondContact CA-O 3.24Å |
| 424 | V | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.4 | -177.4 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | Q267 N277 Y279 L422 T429 M435 V446 I447 K448 P449 | Q267-V424 PolarHBondContact NE2-O 3.02Å; N277-V424 HydrophobicContact CB-CG1 4.49Å; N277-V424 WeakPolarHBondContact O-CA 3.28Å; Y279-V424 HydrophobicContact CD2-CB 4.24Å; Y279-V424 HydrophobicContact CD2-CG1 4.5Å; Y279-V424 HydrophobicContact CE2-CB 3.82Å; Y279-V424 HydrophobicContact CE2-CG1 3.61Å; L422-V424 HydrophobicContact CD2-CG1 3.9Å; L422-V424 HydrophobicContact CG-CG1 3.86Å; V424-T429 HydrophobicContact CB-CG2 3.95Å; V424-T429 HydrophobicContact CG2-CG2 3.96Å; V424-M435 HydrophobicContact CB-SD 4.38Å; V424-M435 HydrophobicContact CG2-SD 3.58Å; V424-M435 VanDerWaalsContact CG2-SD 3.58Å; V424-V446 HydrophobicContact CB-CG1 4.32Å; V424-V446 HydrophobicContact CG1-CG1 3.67Å; V424-V446 HydrophobicContact CG2-CG1 3.62Å; V424-I447 PolarHBondContact N-O 3.06Å; V424-K448 HydrophobicContact CG2-CB 3.92Å; V424-K448 HydrophobicContact CG2-CG 4.38Å; V424-P449 WeakPolarHBondContact O-CD 3.04Å |
| 425 | D | 92.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 179.3 | 173.3 | 53.8 | 71.8 | 0 | 0 | 0 | 111 | Q267 N277 T278 Y279 T429 T454 | Q267-D425 WeakPolarHBondContact CG-OD2 3.25Å; Q267-D425 PolarHBondContact NE2-OD2 3.04Å; N277-D425 PolarHBondContact O-N 3.47Å; T278-D425 CarbonylContact C-O 3.58Å; T278-D425 WeakPolarHBondContact CA-O 3.29Å; T278-D425 WeakPolarHBondContact CA-OD1 3.32Å; T278-D425 WeakPolarHBondContact CB-OD1 3.25Å; T278-D425 VanDerWaalsContact CG2-OD1 3.26Å; T278-D425 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D425 PolarHBondContact OG1-OD1 3.38Å; Y279-D425 PolarHBondContact N-O 3.15Å; D425-T429 VanDerWaalsContact C-CG2 3.48Å; D425-T429 VanDerWaalsContact O-CG2 3.23Å; D425-T429 WeakPolarHBondContact O-CG2 3.34Å; D425-T454 HydrophobicContact CB-CG2 3.95Å; D425-T454 WeakPolarHBondContact CB-OG1 3.36Å; D425-T454 PolarHBondContact OD2-OG1 3.09Å |
| 426 | G | 88.6 | Confident | 90.9 | Very high | 18 Ų | 18 | 41 Ų | 41 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 93.3 | 164.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y279 M428 T429 | Y279-G426 CarbonylContact O-C 3.55Å; Y279-G426 WeakPolarHBondContact O-CA 3.09Å; G426-M428 VanDerWaalsContact C-N 3.28Å; G426-M428 PolarHBondContact O-N 2.9Å; G426-T429 WeakPolarHBondContact O-CB 3.35Å; G426-T429 WeakPolarHBondContact O-CG2 3.34Å; G426-T429 PolarHBondContact O-N 3.4Å; G426-T429 PolarHBondContact O-OG1 2.85Å |
| 427 | G | 87.4 | Confident | 91.5 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 63% | 0.629 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -63.3 | -26.5 | -166 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y279 T429 | Y279-G427 PolarHBondContact O-N 2.83Å; G427-T429 PolarHBondContact O-N 3.1Å |
| 428 | M | 91.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -72.9 | -16.5 | 177.3 | -54.9 | 178.8 | 60 | 0 | 0 | 113.1 | Y279 A325 G326 I329 V400 G426 D430 N431 L434 | Y279-M428 HydrophobicContact CG-CB 4.5Å; Y279-M428 PolarHBondContact O-N 2.93Å; A325-M428 HydrophobicContact CB-SD 4.08Å; G326-M428 WeakPolarHBondContact CA-SD 3.45Å; G326-M428 PolarHBondContact N-SD 2.79Å; I329-M428 HydrophobicContact CD1-CE 3.4Å; I329-M428 HydrophobicContact CD1-SD 4.47Å; I329-M428 HydrophobicContact CG1-CE 4.24Å; V400-M428 HydrophobicContact CG1-CE 4.34Å; V400-M428 HydrophobicContact CG2-CE 4.25Å; G426-M428 VanDerWaalsContact C-N 3.28Å; G426-M428 PolarHBondContact O-N 2.9Å; M428-D430 PolarHBondContact O-N 3.13Å; M428-D430 VanDerWaalsContact O-N 3.16Å; M428-N431 VanDerWaalsContact O-CB 3.32Å; M428-N431 WeakPolarHBondContact O-CB 3.49Å; M428-N431 PolarHBondContact O-N 3.48Å; M428-L434 HydrophobicContact CB-CD2 3.59Å; M428-L434 HydrophobicContact CE-CD2 3.62Å |
| 429 | T | 92.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -68.5 | -11.4 | -179.4 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | Y279 V424 D425 G426 G427 N431 M435 K448 | Y279-T429 HydrophobicContact CD2-CG2 3.78Å; Y279-T429 HydrophobicContact CG-CG2 4.42Å; V424-T429 HydrophobicContact CB-CG2 3.95Å; V424-T429 HydrophobicContact CG2-CG2 3.96Å; D425-T429 VanDerWaalsContact C-CG2 3.48Å; D425-T429 VanDerWaalsContact O-CG2 3.23Å; D425-T429 WeakPolarHBondContact O-CG2 3.34Å; G426-T429 WeakPolarHBondContact O-CB 3.35Å; G426-T429 WeakPolarHBondContact O-CG2 3.34Å; G426-T429 PolarHBondContact O-N 3.4Å; G426-T429 PolarHBondContact O-OG1 2.85Å; G427-T429 PolarHBondContact O-N 3.1Å; T429-N431 PolarHBondContact O-N 2.77Å; T429-M435 HydrophobicContact CG2-CE 4.03Å; T429-M435 HydrophobicContact CG2-SD 3.8Å; T429-M435 WeakPolarHBondContact O-CG 3.26Å; T429-K448 VanDerWaalsContact C-NZ 3.31Å; T429-K448 WeakPolarHBondContact O-CD 3.33Å; T429-K448 WeakPolarHBondContact O-CE 3.42Å; T429-K448 PolarHBondContact O-NZ 3.42Å; T429-K448 WeakPolarHBondContact OG1-CE 3.33Å |
| 430 | D | 91.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 31.8 Ų | 31.8 | 54% | 0.535 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -69.8 | -20.2 | 169.9 | -68.9 | -23.7 | 0 | 0 | 0 | 113 | M428 K432 K448 | M428-D430 PolarHBondContact O-N 3.13Å; M428-D430 VanDerWaalsContact O-N 3.16Å; D430-K432 PolarHBondContact O-N 3.43Å; D430-K448 IonicContact OD1-NZ 2.68Å; D430-K448 PolarHBondContact OD1-NZ 3.36Å |
| 431 | N | 94.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | trans | -78.1 | 106.1 | 173.8 | -174.8 | -39.1 | 0 | 0 | 0 | 110.5 | M428 T429 V433 L434 M435 | M428-N431 VanDerWaalsContact O-CB 3.32Å; M428-N431 WeakPolarHBondContact O-CB 3.49Å; M428-N431 PolarHBondContact O-N 3.48Å; T429-N431 PolarHBondContact O-N 2.77Å; N431-V433 VanDerWaalsContact C-N 3.29Å; N431-V433 PolarHBondContact O-N 2.65Å; N431-V433 WeakPolarHBondContact OD1-CA 3.5Å; N431-V433 WeakPolarHBondContact OD1-CB 3.37Å; N431-V433 PolarHBondContact OD1-N 2.97Å; N431-L434 HydrophobicContact CB-CB 3.98Å; N431-L434 WeakPolarHBondContact O-CB 3.25Å; N431-L434 PolarHBondContact O-N 3.03Å; N431-L434 PolarHBondContact OD1-N 2.93Å; N431-M435 WeakPolarHBondContact O-CG 3.34Å; N431-M435 PolarHBondContact O-N 3.23Å; N431-M435 VanDerWaalsContact O-N 3.16Å | ||
| 432 | K | 94.1 | Very high | 94.6 | Very high | 115 Ų | 115 | 21.1 Ų | 21.1 | 50% | 0.5 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -66.3 | -29.9 | -177.9 | -64.5 | -171.2 | 175.8 | -163.5 | 0 | 113.4 | D430 M435 Q436 | D430-K432 PolarHBondContact O-N 3.43Å; K432-M435 PolarHBondContact O-N 2.9Å; K432-Q436 WeakPolarHBondContact O-CB 3.16Å; K432-Q436 PolarHBondContact O-N 3.01Å |
| 433 | V | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 25 Ų | 25 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | E346 A349 K350 L397 N431 M435 Q436 L437 | E346-V433 HydrophobicContact CG-CB 4.4Å; E346-V433 HydrophobicContact CG-CG2 3.8Å; A349-V433 HydrophobicContact CB-CG1 4.06Å; K350-V433 HydrophobicContact CD-CG2 4.18Å; K350-V433 HydrophobicContact CG-CG2 3.47Å; K350-V433 VanDerWaalsContact CG-CG2 3.47Å; L397-V433 HydrophobicContact CD1-CB 4.37Å; L397-V433 HydrophobicContact CD1-CG1 4.13Å; N431-V433 VanDerWaalsContact C-N 3.29Å; N431-V433 PolarHBondContact O-N 2.65Å; N431-V433 WeakPolarHBondContact OD1-CA 3.5Å; N431-V433 WeakPolarHBondContact OD1-CB 3.37Å; N431-V433 PolarHBondContact OD1-N 2.97Å; V433-M435 VanDerWaalsContact C-N 3.34Å; V433-M435 PolarHBondContact O-N 3.37Å; V433-Q436 PolarHBondContact O-N 2.86Å; V433-L437 HydrophobicContact CG1-CD1 3.78Å; V433-L437 HydrophobicContact CG1-CG 4.15Å; V433-L437 WeakPolarHBondContact O-CB 3.47Å; V433-L437 WeakPolarHBondContact O-CG 3.48Å; V433-L437 PolarHBondContact O-N 3.3Å |
| 434 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.4 | -178.7 | 70.2 | 0 | 0 | 0 | 111.6 | Y279 L397 V400 M428 N431 L437 Q438 | Y279-L434 HydrophobicContact CD1-CD2 4.13Å; Y279-L434 HydrophobicContact CE1-CD2 4.46Å; L397-L434 HydrophobicContact CB-CD1 4.19Å; L397-L434 HydrophobicContact CD2-CB 4.39Å; L397-L434 HydrophobicContact CD2-CD1 4.2Å; V400-L434 HydrophobicContact CB-CD1 4.34Å; M428-L434 HydrophobicContact CB-CD2 3.59Å; M428-L434 HydrophobicContact CE-CD2 3.62Å; N431-L434 HydrophobicContact CB-CB 3.98Å; N431-L434 WeakPolarHBondContact O-CB 3.25Å; N431-L434 PolarHBondContact O-N 3.03Å; N431-L434 PolarHBondContact OD1-N 2.93Å; L434-L437 PolarHBondContact O-N 2.89Å; L434-Q438 WeakPolarHBondContact O-CB 3.47Å; L434-Q438 PolarHBondContact O-N 2.81Å |
| 435 | M | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 179.9 | -62.1 | -59 | 89 | 0 | 0 | 112.2 | Y279 V424 T429 N431 K432 V433 Q438 A439 V446 F487 | Y279-M435 HydrophobicContact CE2-CE 4.36Å; V424-M435 HydrophobicContact CB-SD 4.38Å; V424-M435 HydrophobicContact CG2-SD 3.58Å; V424-M435 VanDerWaalsContact CG2-SD 3.58Å; T429-M435 HydrophobicContact CG2-CE 4.03Å; T429-M435 HydrophobicContact CG2-SD 3.8Å; T429-M435 WeakPolarHBondContact O-CG 3.26Å; N431-M435 WeakPolarHBondContact O-CG 3.34Å; N431-M435 PolarHBondContact O-N 3.23Å; N431-M435 VanDerWaalsContact O-N 3.16Å; K432-M435 PolarHBondContact O-N 2.9Å; V433-M435 VanDerWaalsContact C-N 3.34Å; V433-M435 PolarHBondContact O-N 3.37Å; M435-Q438 PolarHBondContact O-N 2.84Å; M435-A439 PolarHBondContact O-N 3.14Å; M435-A439 VanDerWaalsContact O-N 3.15Å; M435-V446 HydrophobicContact SD-CG1 4.39Å; M435-F487 HydrophobicContact CB-CD1 3.96Å; M435-F487 HydrophobicContact CB-CD2 3.88Å; M435-F487 HydrophobicContact CB-CE1 3.81Å; M435-F487 HydrophobicContact CB-CE2 3.75Å; M435-F487 HydrophobicContact CB-CG 4Å; M435-F487 HydrophobicContact CB-CZ 3.72Å; M435-F487 HydrophobicContact CG-CE2 4.15Å; M435-F487 HydrophobicContact CG-CZ 4.19Å |
| 436 | Q | 97.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 175 | -172.2 | 57.9 | 58.7 | 0 | 0 | 111.4 | K432 V433 Q438 A439 D440 E488 Q490 | K432-Q436 WeakPolarHBondContact O-CB 3.16Å; K432-Q436 PolarHBondContact O-N 3.01Å; V433-Q436 PolarHBondContact O-N 2.86Å; Q436-Q438 VanDerWaalsContact C-N 3.26Å; Q436-Q438 PolarHBondContact O-N 3.31Å; Q436-A439 PolarHBondContact O-N 3.24Å; Q436-A439 VanDerWaalsContact O-N 3.16Å; Q436-D440 PolarHBondContact NE2-OD1 3.13Å; Q436-D440 WeakPolarHBondContact O-CB 3.42Å; Q436-D440 PolarHBondContact O-N 3.09Å; Q436-E488 PolarHBondContact NE2-O 2.99Å; Q436-Q490 VanDerWaalsContact CD-CD 3.46Å; Q436-Q490 VanDerWaalsContact OE1-NE2 3.11Å |
| 437 | L | 96.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 175.7 | -75 | 174.7 | 0 | 0 | 0 | 111.9 | F394 L397 V433 L434 D440 I441 | F394-L437 HydrophobicContact CE1-CD1 4.22Å; F394-L437 HydrophobicContact CE1-CD2 3.9Å; F394-L437 HydrophobicContact CE2-CD1 4.34Å; F394-L437 HydrophobicContact CE2-CD2 4.27Å; F394-L437 HydrophobicContact CZ-CD1 4.07Å; F394-L437 HydrophobicContact CZ-CD2 3.47Å; F394-L437 VanDerWaalsContact CZ-CD2 3.47Å; F394-L437 HydrophobicContact CZ-CG 4.32Å; L397-L437 HydrophobicContact CB-CD1 3.99Å; V433-L437 HydrophobicContact CG1-CD1 3.78Å; V433-L437 HydrophobicContact CG1-CG 4.15Å; V433-L437 WeakPolarHBondContact O-CB 3.47Å; V433-L437 WeakPolarHBondContact O-CG 3.48Å; V433-L437 PolarHBondContact O-N 3.3Å; L434-L437 PolarHBondContact O-N 2.89Å; L437-D440 PolarHBondContact O-N 3.26Å; L437-I441 VanDerWaalsContact O-CB 3.32Å; L437-I441 WeakPolarHBondContact O-CB 3.19Å; L437-I441 VanDerWaalsContact O-CG1 3.26Å; L437-I441 WeakPolarHBondContact O-CG1 3.45Å; L437-I441 PolarHBondContact O-N 3.14Å |
| 438 | Q | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.9 | -170.8 | 68.9 | 70.9 | 0 | 0 | 111.4 | Y279 C401 L422 L434 M435 Q436 D440 L442 V446 | Y279-Q438 VanDerWaalsContact OH-CG 3.27Å; Y279-Q438 WeakPolarHBondContact OH-CG 3.4Å; Y279-Q438 PolarHBondContact OH-OE1 2.9Å; C401-Q438 VanDerWaalsContact CA-OE1 3.3Å; C401-Q438 PolarHBondContact O-NE2 2.86Å; C401-Q438 PolarHBondContact SG-N 2.99Å; L422-Q438 HydrophobicContact CD2-CG 4.16Å; L434-Q438 WeakPolarHBondContact O-CB 3.47Å; L434-Q438 PolarHBondContact O-N 2.81Å; M435-Q438 PolarHBondContact O-N 2.84Å; Q436-Q438 VanDerWaalsContact C-N 3.26Å; Q436-Q438 PolarHBondContact O-N 3.31Å; Q438-D440 VanDerWaalsContact C-N 3.35Å; Q438-L442 HydrophobicContact CG-CD1 3.86Å; Q438-L442 HydrophobicContact CG-CG 4.42Å; Q438-L442 VanDerWaalsContact NE2-CG 3.3Å; Q438-L442 WeakPolarHBondContact O-CB 3.1Å; Q438-L442 VanDerWaalsContact O-CG 3.23Å; Q438-L442 WeakPolarHBondContact O-CG 3.15Å; Q438-L442 PolarHBondContact O-N 3.04Å; Q438-V446 HydrophobicContact CB-CG2 4.08Å; Q438-V446 HydrophobicContact CG-CG2 3.89Å |
| 439 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M435 Q436 H443 I444 V446 F487 | M435-A439 PolarHBondContact O-N 3.14Å; M435-A439 VanDerWaalsContact O-N 3.15Å; Q436-A439 PolarHBondContact O-N 3.24Å; Q436-A439 VanDerWaalsContact O-N 3.16Å; A439-H443 WeakPolarHBondContact O-CA 3.42Å; A439-H443 PolarHBondContact O-N 2.89Å; A439-I444 WeakPolarHBondContact CA-O 3.12Å; A439-V446 HydrophobicContact CB-CB 4.18Å; A439-V446 HydrophobicContact CB-CG2 3.89Å; A439-F487 HydrophobicContact CB-CB 4.11Å |
| 440 | D | 97.2 | Very high | 94.6 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 178.2 | -69.8 | -13.9 | 0 | 0 | 0 | 112.2 | Q436 L437 Q438 H443 Q490 I491 S496 | Q436-D440 PolarHBondContact NE2-OD1 3.13Å; Q436-D440 WeakPolarHBondContact O-CB 3.42Å; Q436-D440 PolarHBondContact O-N 3.09Å; L437-D440 PolarHBondContact O-N 3.26Å; Q438-D440 VanDerWaalsContact C-N 3.35Å; D440-H443 PolarHBondContact O-N 3.41Å; D440-Q490 PolarHBondContact OD1-N 3.22Å; D440-I491 HydrophobicContact CB-CD1 3.79Å; D440-I491 HydrophobicContact CB-CG1 3.75Å; D440-I491 HydrophobicContact CB-CG2 4.31Å; D440-S496 WeakPolarHBondContact O-CB 3.27Å; D440-S496 PolarHBondContact O-OG 3.47Å |
| 441 | I | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.9 | -36.4 | -179 | -67.5 | -50.7 | 0 | 0 | 0 | 111.9 | C401 F402 R405 L437 S496 R499 | C401-I441 HydrophobicContact CB-CB 4.17Å; C401-I441 HydrophobicContact CB-CG1 4.08Å; C401-I441 HydrophobicContact CB-CG2 4.34Å; F402-I441 HydrophobicContact CD1-CD1 4.31Å; F402-I441 HydrophobicContact CD1-CG1 4.44Å; F402-I441 HydrophobicContact CD1-CG2 3.67Å; F402-I441 HydrophobicContact CE1-CD1 3.54Å; F402-I441 HydrophobicContact CE1-CG1 4.11Å; F402-I441 HydrophobicContact CE1-CG2 3.98Å; F402-I441 HydrophobicContact CZ-CD1 3.98Å; R405-I441 HydrophobicContact CB-CG2 4.09Å; R405-I441 VanDerWaalsContact CD-O 3.29Å; R405-I441 WeakPolarHBondContact CD-O 3.36Å; R405-I441 PolarHBondContact NH1-O 3.42Å; L437-I441 VanDerWaalsContact O-CB 3.32Å; L437-I441 WeakPolarHBondContact O-CB 3.19Å; L437-I441 VanDerWaalsContact O-CG1 3.26Å; L437-I441 WeakPolarHBondContact O-CG1 3.45Å; L437-I441 PolarHBondContact O-N 3.14Å; I441-S496 WeakPolarHBondContact CA-OG 3.38Å; I441-S496 PolarHBondContact O-OG 3.38Å; I441-R499 HydrophobicContact CD1-CB 4.49Å |
| 442 | L | 95.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -80.6 | -21.6 | 176.1 | -61.3 | 174 | 0 | 0 | 0 | 113.3 | R405 L408 L422 Q438 I444 | R405-L442 HydrophobicContact CB-CD2 3.55Å; R405-L442 HydrophobicContact CG-CD2 3.82Å; L408-L442 HydrophobicContact CD1-CD1 3.55Å; L408-L442 HydrophobicContact CD1-CD2 3.37Å; L408-L442 HydrophobicContact CD1-CG 4.11Å; L422-L442 HydrophobicContact CB-CD1 4.24Å; L422-L442 HydrophobicContact CD2-CD1 3.63Å; Q438-L442 HydrophobicContact CG-CD1 3.86Å; Q438-L442 HydrophobicContact CG-CG 4.42Å; Q438-L442 VanDerWaalsContact NE2-CG 3.3Å; Q438-L442 WeakPolarHBondContact O-CB 3.1Å; Q438-L442 VanDerWaalsContact O-CG 3.23Å; Q438-L442 WeakPolarHBondContact O-CG 3.15Å; Q438-L442 PolarHBondContact O-N 3.04Å; L442-I444 HydrophobicContact CB-CD1 4.45Å; L442-I444 HydrophobicContact CB-CG1 3.71Å; L442-I444 HydrophobicContact CD1-CD1 4.5Å; L442-I444 HydrophobicContact CD1-CG1 4.3Å; L442-I444 PolarHBondContact O-N 3.35Å |
| 443 | H | 95.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 25.7 Ų | 25.7 | 38% | 0.384 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31 | -170 | -155.2 | 66.6 | 0 | 0 | 0 | 113.4 | A439 D440 I491 | A439-H443 WeakPolarHBondContact O-CA 3.42Å; A439-H443 PolarHBondContact O-N 2.89Å; D440-H443 PolarHBondContact O-N 3.41Å; H443-I491 PolarHBondContact CE1-O 3.48Å; H443-I491 PolarHBondContact ND1-O 3.27Å |
| 444 | I | 95.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 24.8 Ų | 24.8 | 17% | 0.174 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -133.3 | 156.5 | 168.9 | 63.9 | 174.7 | 0 | 0 | 0 | 108.9 | L419 A439 L442 | L419-I444 HydrophobicContact CB-CD1 4.1Å; A439-I444 WeakPolarHBondContact CA-O 3.12Å; L442-I444 HydrophobicContact CB-CD1 4.45Å; L442-I444 HydrophobicContact CB-CG1 3.71Å; L442-I444 HydrophobicContact CD1-CD1 4.5Å; L442-I444 HydrophobicContact CD1-CG1 4.3Å; L442-I444 PolarHBondContact O-N 3.35Å |
| 445 | P | 96.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | trans | -60.5 | 140.6 | 178.5 | -16.1 | 24.4 | 0 | 0 | 0 | 112.8 | R420 H421 L422 R486 F487 E488 | R420-P445 WeakPolarHBondContact O-CD 3.24Å; H421-P445 CarbonylContact C-O 3.34Å; H421-P445 WeakPolarHBondContact CA-O 3.32Å; H421-P445 HydrophobicContact CB-CB 4.19Å; H421-P445 HydrophobicContact CB-CG 4.49Å; H421-P445 WeakPolarHBondContact CB-O 3.33Å; L422-P445 PolarHBondContact N-O 2.92Å; P445-R486 VanDerWaalsContact CB-NH2 3.31Å; P445-F487 WeakPolarHBondContact CA-O 3.5Å; P445-E488 WeakPolarHBondContact CG-OE2 3.39Å | ||
| 446 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 109.2 | L422 V424 M435 Q438 A439 R486 F487 | L422-V446 HydrophobicContact CB-CG2 4.43Å; L422-V446 CarbonylContact O-C 3.51Å; L422-V446 WeakPolarHBondContact O-CA 3.35Å; V424-V446 HydrophobicContact CB-CG1 4.32Å; V424-V446 HydrophobicContact CG1-CG1 3.67Å; V424-V446 HydrophobicContact CG2-CG1 3.62Å; M435-V446 HydrophobicContact SD-CG1 4.39Å; Q438-V446 HydrophobicContact CB-CG2 4.08Å; Q438-V446 HydrophobicContact CG-CG2 3.89Å; A439-V446 HydrophobicContact CB-CB 4.18Å; A439-V446 HydrophobicContact CB-CG2 3.89Å; V446-R486 WeakPolarHBondContact O-CA 3.38Å; V446-F487 HydrophobicContact CB-CB 4.28Å; V446-F487 HydrophobicContact CG1-CD2 4.48Å; V446-F487 PolarHBondContact N-O 2.83Å; V446-F487 PolarHBondContact O-N 2.84Å |
| 447 | I | 94.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 9% | 0.087 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.1 | -175.8 | -53.2 | -177 | 0 | 0 | 0 | 109 | H421 L422 Q423 V424 M484 | H421-I447 HydrophobicContact CB-CD1 3.98Å; H421-I447 HydrophobicContact CB-CG1 4.27Å; H421-I447 WeakPolarHBondContact CD2-CD1 3.48Å; L422-I447 PolarHBondContact O-N 2.9Å; Q423-I447 WeakPolarHBondContact CA-O 3.24Å; V424-I447 PolarHBondContact N-O 3.06Å; I447-M484 HydrophobicContact CG2-CB 3.78Å; I447-M484 HydrophobicContact CG2-CG 4.03Å; I447-M484 HydrophobicContact CG2-SD 3.46Å; I447-M484 WeakPolarHBondContact CG2-SD 3.47Å |
| 448 | K | 92.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.3 | 177.4 | -178.1 | -172.1 | 173.9 | 178.7 | 0 | 109.5 | V424 T429 D430 M484 E485 F487 | V424-K448 HydrophobicContact CG2-CB 3.92Å; V424-K448 HydrophobicContact CG2-CG 4.38Å; T429-K448 VanDerWaalsContact C-NZ 3.31Å; T429-K448 WeakPolarHBondContact O-CD 3.33Å; T429-K448 WeakPolarHBondContact O-CE 3.42Å; T429-K448 PolarHBondContact O-NZ 3.42Å; T429-K448 WeakPolarHBondContact OG1-CE 3.33Å; D430-K448 IonicContact OD1-NZ 2.68Å; D430-K448 PolarHBondContact OD1-NZ 3.36Å; K448-M484 CarbonylContact O-C 3.48Å; K448-M484 WeakPolarHBondContact O-CA 3.48Å; K448-E485 PolarHBondContact N-O 2.86Å; K448-E485 PolarHBondContact O-N 3.37Å; K448-F487 HydrophobicContact CB-CE2 4.14Å |
| 449 | P | 87.3 | Confident | 92.3 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 145.7 | 171.7 | 29.4 | -30.3 | 0 | 0 | 0 | 110.6 | V424 M451 T454 | V424-P449 WeakPolarHBondContact O-CD 3.04Å; P449-M451 PolarHBondContact O-N 3.3Å; P449-T454 HydrophobicContact CB-CG2 4.47Å; P449-T454 HydrophobicContact CG-CG2 3.59Å |
| 450 | F | 81.5 | Confident | 92.3 | Very high | 117 Ų | 117 | 23.7 Ų | 23.7 | 51% | 0.513 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -64.8 | -29.8 | 173.9 | -90.3 | -102.1 | 0 | 0 | 0 | 112.2 | P452 R483 E485 | F450-P452 WeakPolarHBondContact O-CD 3.06Å; F450-R483 HydrophobicContact CB-CB 4.07Å; F450-R483 VanDerWaalsContact CD2-C 3.5Å; F450-R483 HydrophobicContact CD2-CB 3.56Å; F450-R483 WeakPolarHBondContact CD2-O 3.24Å; F450-R483 HydrophobicContact CE2-CB 4.18Å; F450-R483 HydrophobicContact CG-CB 3.92Å; F450-R483 PolarHBondContact N-O 3.29Å; F450-E485 HydrophobicContact CE2-CB 4.27Å |
| 451 | M | 80.4 | Confident | 92.3 | Very high | 50 Ų | 50 | 23 Ų | 23 | 25% | 0.246 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -91.6 | 104.2 | 172.3 | -176.7 | 75.5 | -76.9 | 0 | 0 | 109.2 | F28 L35 P449 E453 | F28-M451 HydrophobicContact CE1-CG 4.45Å; L35-M451 HydrophobicContact CB-SD 3.39Å; L35-M451 WeakPolarHBondContact CB-SD 3.26Å; L35-M451 HydrophobicContact CD2-CE 3.91Å; L35-M451 HydrophobicContact CD2-SD 3.64Å; L35-M451 HydrophobicContact CG-SD 4.14Å; P449-M451 PolarHBondContact O-N 3.3Å; M451-E453 HydrophobicContact CE-CG 4.45Å; M451-E453 PolarHBondContact O-N 3.44Å |
| 452 | P | 73 | Confident | 92.4 | Very high | 47 Ų | 47 | 23 Ų | 23 | 31% | 0.305 | 12% | 0.115 | S | C | . | . | trans | -66.8 | -12.9 | -178.3 | 23.5 | -37.4 | 0 | 0 | 0 | 115.3 | F450 T454 | F450-P452 WeakPolarHBondContact O-CD 3.06Å; P452-T454 VanDerWaalsContact C-N 3.28Å; P452-T454 PolarHBondContact O-N 2.92Å; P452-T454 VanDerWaalsContact O-N 3.07Å | ||
| 453 | E | 85.8 | Confident | 92.5 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 22% | 0.22 | 11% | 0.109 | C | C | . | . | trans | -88.4 | 54.2 | -172.8 | -64.3 | -68.5 | -172 | 0 | 0 | 113.4 | R24 L26 M451 T455 A456 L457 | R24-E453 IonicContact CZ-OE1 2.96Å; R24-E453 IonicContact CZ-OE2 3.36Å; R24-E453 IonicContact NH1-OE1 2.74Å; R24-E453 PolarHBondContact NH1-OE1 2.86Å; R24-E453 IonicContact NH1-OE2 2.74Å; R24-E453 PolarHBondContact NH1-OE2 2.85Å; L26-E453 HydrophobicContact CD2-CB 3.78Å; L26-E453 HydrophobicContact CD2-CG 3.81Å; M451-E453 HydrophobicContact CE-CG 4.45Å; M451-E453 PolarHBondContact O-N 3.44Å; E453-T455 VanDerWaalsContact C-N 3.34Å; E453-T455 PolarHBondContact O-N 2.84Å; E453-A456 HydrophobicContact CB-CB 4.33Å; E453-A456 PolarHBondContact O-N 3.43Å; E453-L457 PolarHBondContact O-N 2.96Å | ||
| 454 | T | 91.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | -174.6 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | G266 Q267 D425 P449 P452 A456 L457 G458 | G266-T454 WeakPolarHBondContact CA-O 3.48Å; Q267-T454 HydrophobicContact CG-CG2 4.02Å; D425-T454 HydrophobicContact CB-CG2 3.95Å; D425-T454 WeakPolarHBondContact CB-OG1 3.36Å; D425-T454 PolarHBondContact OD2-OG1 3.09Å; P449-T454 HydrophobicContact CB-CG2 4.47Å; P449-T454 HydrophobicContact CG-CG2 3.59Å; P452-T454 VanDerWaalsContact C-N 3.28Å; P452-T454 PolarHBondContact O-N 2.92Å; P452-T454 VanDerWaalsContact O-N 3.07Å; T454-A456 PolarHBondContact O-N 2.96Å; T454-L457 PolarHBondContact O-N 2.94Å; T454-G458 PolarHBondContact O-N 2.62Å |
| 455 | T | 94.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 10% | 0.098 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.9 | -49.4 | 172.7 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | V17 S91 D259 A262 E453 G458 A459 | V17-T455 HydrophobicContact CG1-CG2 3.79Å; V17-T455 HydrophobicContact CG2-CG2 4.19Å; S91-T455 WeakPolarHBondContact OG-CG2 3.2Å; D259-T455 HydrophobicContact CB-CG2 4.15Å; A262-T455 HydrophobicContact CB-CG2 4.1Å; A262-T455 WeakPolarHBondContact CB-O 3.42Å; E453-T455 VanDerWaalsContact C-N 3.34Å; E453-T455 PolarHBondContact O-N 2.84Å; T455-G458 PolarHBondContact O-N 3Å; T455-A459 PolarHBondContact O-N 3.47Å |
| 456 | A | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A15 V17 L26 F28 E453 T454 G458 A459 A460 | A15-A456 HydrophobicContact CB-CB 4.23Å; A15-A456 WeakPolarHBondContact CB-O 3.33Å; V17-A456 HydrophobicContact CG2-CB 3.58Å; L26-A456 HydrophobicContact CB-CB 4.2Å; L26-A456 HydrophobicContact CD1-CB 3.64Å; L26-A456 HydrophobicContact CD2-CB 3.82Å; L26-A456 HydrophobicContact CG-CB 4.09Å; F28-A456 HydrophobicContact CE2-CB 3.84Å; F28-A456 HydrophobicContact CZ-CB 3.84Å; E453-A456 HydrophobicContact CB-CB 4.33Å; E453-A456 PolarHBondContact O-N 3.43Å; T454-A456 PolarHBondContact O-N 2.96Å; A456-G458 VanDerWaalsContact C-N 3.34Å; A456-G458 PolarHBondContact O-N 3.34Å; A456-A459 PolarHBondContact O-N 3Å; A456-A460 PolarHBondContact O-N 3.36Å |
| 457 | L | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 178 | -180 | 60.4 | 0 | 0 | 0 | 111.4 | F28 A33 E453 T454 A459 A460 M461 W472 L482 | F28-L457 HydrophobicContact CD1-CD1 4.13Å; F28-L457 HydrophobicContact CE1-CB 4.38Å; F28-L457 HydrophobicContact CE1-CD1 4.32Å; F28-L457 HydrophobicContact CG-CD1 4.41Å; F28-L457 HydrophobicContact CZ-CB 4.29Å; A33-L457 HydrophobicContact CB-CD1 4.02Å; E453-L457 PolarHBondContact O-N 2.96Å; T454-L457 PolarHBondContact O-N 2.94Å; L457-A459 PolarHBondContact O-N 3.33Å; L457-A460 PolarHBondContact O-N 2.92Å; L457-M461 HydrophobicContact CD1-CG 4.16Å; L457-M461 HydrophobicContact CD1-SD 4.26Å; L457-M461 HydrophobicContact CD2-SD 4.39Å; L457-M461 HydrophobicContact CG-CG 4.27Å; L457-M461 HydrophobicContact CG-SD 3.85Å; L457-M461 WeakPolarHBondContact O-CB 3.48Å; L457-M461 WeakPolarHBondContact O-CG 3.08Å; L457-M461 PolarHBondContact O-N 2.79Å; L457-W472 HydrophobicContact CD1-CH2 3.56Å; L457-W472 HydrophobicContact CD1-CZ2 3.77Å; L457-L482 HydrophobicContact CD2-CD1 4.05Å; L457-L482 HydrophobicContact CD2-CD2 4.22Å |
| 458 | G | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A262 T454 T455 A456 M461 A462 | A262-G458 WeakPolarHBondContact O-CA 3.38Å; T454-G458 PolarHBondContact O-N 2.62Å; T455-G458 PolarHBondContact O-N 3Å; A456-G458 VanDerWaalsContact C-N 3.34Å; A456-G458 PolarHBondContact O-N 3.34Å; G458-M461 PolarHBondContact O-N 3.35Å; G458-A462 WeakPolarHBondContact O-CB 3.35Å; G458-A462 PolarHBondContact O-N 3.18Å |
| 459 | A | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A15 T455 A456 L457 A462 A463 | A15-A459 HydrophobicContact CB-CB 4.14Å; T455-A459 PolarHBondContact O-N 3.47Å; A456-A459 PolarHBondContact O-N 3Å; L457-A459 PolarHBondContact O-N 3.33Å; A459-A462 PolarHBondContact O-N 2.93Å; A459-A463 WeakPolarHBondContact O-CB 3.28Å; A459-A463 PolarHBondContact O-N 3.2Å |
| 460 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V13 A15 F28 A456 L457 A462 A463 G464 W472 | V13-A460 HydrophobicContact CB-CB 4.2Å; V13-A460 HydrophobicContact CG1-CB 3.92Å; V13-A460 WeakPolarHBondContact CG1-O 3.44Å; A15-A460 HydrophobicContact CB-CB 4.12Å; F28-A460 HydrophobicContact CD2-CB 3.77Å; F28-A460 HydrophobicContact CE2-CB 4.32Å; A456-A460 PolarHBondContact O-N 3.36Å; L457-A460 PolarHBondContact O-N 2.92Å; A460-A462 PolarHBondContact O-N 2.92Å; A460-A463 PolarHBondContact O-N 2.86Å; A460-G464 PolarHBondContact O-N 2.87Å; A460-W472 HydrophobicContact CB-CZ3 4.44Å |
| 461 | M | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.6 | -76.8 | 175.4 | 68.7 | 0 | 0 | 111.2 | V265 M268 F270 L457 G458 A465 W472 L474 L479 | V265-M461 HydrophobicContact CG1-CB 4.31Å; M268-M461 HydrophobicContact CE-CE 4.14Å; M268-M461 HydrophobicContact CE-SD 4.39Å; M268-M461 HydrophobicContact CG-CE 4.21Å; F270-M461 HydrophobicContact CE2-CE 4.07Å; F270-M461 HydrophobicContact CZ-CE 3.9Å; L457-M461 HydrophobicContact CD1-CG 4.16Å; L457-M461 HydrophobicContact CD1-SD 4.26Å; L457-M461 HydrophobicContact CD2-SD 4.39Å; L457-M461 HydrophobicContact CG-CG 4.27Å; L457-M461 HydrophobicContact CG-SD 3.85Å; L457-M461 WeakPolarHBondContact O-CB 3.48Å; L457-M461 WeakPolarHBondContact O-CG 3.08Å; L457-M461 PolarHBondContact O-N 2.79Å; G458-M461 PolarHBondContact O-N 3.35Å; M461-A465 WeakPolarHBondContact O-CB 3.41Å; M461-A465 PolarHBondContact O-N 3.3Å; M461-W472 HydrophobicContact CG-CD2 4.15Å; M461-W472 HydrophobicContact CG-CH2 4.34Å; M461-W472 HydrophobicContact CG-CZ2 3.65Å; M461-L474 HydrophobicContact CB-CD2 3.84Å; M461-L474 HydrophobicContact CE-CD2 3.59Å; M461-L474 HydrophobicContact CG-CD2 4.37Å; M461-L479 HydrophobicContact CE-CD2 3.88Å |
| 462 | A | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S237 L257 L308 G458 A459 A460 A465 A466 | S237-A462 WeakPolarHBondContact CB-O 3.24Å; S237-A462 PolarHBondContact OG-O 2.61Å; L257-A462 HydrophobicContact CD1-CB 3.33Å; L308-A462 HydrophobicContact CD2-CB 4.14Å; G458-A462 WeakPolarHBondContact O-CB 3.35Å; G458-A462 PolarHBondContact O-N 3.18Å; A459-A462 PolarHBondContact O-N 2.93Å; A460-A462 PolarHBondContact O-N 2.92Å; A462-A465 PolarHBondContact O-N 3.24Å; A462-A466 PolarHBondContact O-N 3.32Å |
| 463 | A | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V13 A87 S254 A459 A460 A465 A466 | V13-A463 HydrophobicContact CG1-CB 4.03Å; A87-A463 HydrophobicContact CB-CB 4.1Å; S254-A463 WeakPolarHBondContact OG-CA 3.44Å; S254-A463 PolarHBondContact OG-O 3.41Å; A459-A463 WeakPolarHBondContact O-CB 3.28Å; A459-A463 PolarHBondContact O-N 3.2Å; A460-A463 PolarHBondContact O-N 2.86Å; A463-A465 VanDerWaalsContact C-N 3.29Å; A463-A465 PolarHBondContact O-N 3.28Å; A463-A466 WeakPolarHBondContact O-CB 3.26Å; A463-A466 PolarHBondContact O-N 2.88Å |
| 464 | G | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.5 | -25.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A460 S470 V471 W472 | A460-G464 PolarHBondContact O-N 2.87Å; G464-S470 CarbonylContact O-C 3.54Å; G464-S470 WeakPolarHBondContact O-CA 3.32Å; G464-S470 PolarHBondContact O-N 3.36Å; G464-V471 PolarHBondContact O-N 2.97Å; G464-W472 PolarHBondContact O-N 2.93Å |
| 465 | A | 97.2 | Very high | 95.1 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -85 | -12.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | M461 A462 A463 W472 L474 | M461-A465 WeakPolarHBondContact O-CB 3.41Å; M461-A465 PolarHBondContact O-N 3.3Å; A462-A465 PolarHBondContact O-N 3.24Å; A463-A465 VanDerWaalsContact C-N 3.29Å; A463-A465 PolarHBondContact O-N 3.28Å; A465-W472 WeakPolarHBondContact CA-O 3.49Å; A465-L474 HydrophobicContact CB-CD1 3.59Å; A465-L474 HydrophobicContact CB-CD2 4.17Å; A465-L474 HydrophobicContact CB-CG 3.67Å |
| 466 | A | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -57.1 | 143.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | S237 S254 A462 A463 G468 V469 S470 | S237-A466 VanDerWaalsContact OG-CA 3.29Å; S237-A466 WeakPolarHBondContact OG-CA 3.23Å; S237-A466 PolarHBondContact OG-N 3Å; S254-A466 WeakPolarHBondContact O-CB 3.41Å; A462-A466 PolarHBondContact O-N 3.32Å; A463-A466 WeakPolarHBondContact O-CB 3.26Å; A463-A466 PolarHBondContact O-N 2.88Å; A466-G468 PolarHBondContact O-N 2.52Å; A466-V469 HydrophobicContact CB-CG2 4.46Å; A466-V469 PolarHBondContact O-N 2.97Å; A466-S470 PolarHBondContact O-N 2.87Å; A466-S470 PolarHBondContact O-OG 2.86Å |
| 467 | E | 96.2 | Very high | 92.6 | Very high | 171 Ų | 171 | 41.3 Ų | 41.3 | 80% | 0.799 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.1 | 174.1 | -171.6 | 173.2 | 178.1 | 0 | 0 | 109.9 | V469 | E467-V469 VanDerWaalsContact C-N 3.35Š|
| 468 | G | 94.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | -20 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A466 | A466-G468 PolarHBondContact O-N 2.52Š|
| 469 | V | 96.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -62.1 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | K86 A87 I239 P252 A466 E467 V471 | K86-V469 HydrophobicContact CB-CG1 4.42Å; A87-V469 HydrophobicContact CB-CG1 3.75Å; A87-V469 HydrophobicContact CB-CG2 4.24Å; I239-V469 HydrophobicContact CD1-CG2 4.19Å; I239-V469 HydrophobicContact CG1-CG2 4.21Å; P252-V469 HydrophobicContact CG-CG2 4.02Å; A466-V469 HydrophobicContact CB-CG2 4.46Å; A466-V469 PolarHBondContact O-N 2.97Å; E467-V469 VanDerWaalsContact C-N 3.35Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 HydrophobicContact CG1-CG1 4.17Å; V469-V471 HydrophobicContact CG1-CG2 3.91Å; V469-V471 WeakPolarHBondContact O-CG1 3.44Å; V469-V471 PolarHBondContact O-N 2.68Å; V469-V471 VanDerWaalsContact O-N 3.1Å |
| 470 | S | 95.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 49 Ų | 49 | 58% | 0.58 | 30% | 0.298 | S | S | * | . | trans | 49.3 | 37.1 | 171.1 | -53.4 | 0 | 0 | 0 | 0 | 115.7 | G464 A466 | G464-S470 CarbonylContact O-C 3.54Å; G464-S470 WeakPolarHBondContact O-CA 3.32Å; G464-S470 PolarHBondContact O-N 3.36Å; A466-S470 PolarHBondContact O-N 2.87Å; A466-S470 PolarHBondContact O-OG 2.86Å | ||
| 471 | V | 95.1 | Very high | 85.9 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | trans | -93.5 | -10.4 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | P11 V13 S30 K86 G464 V469 | P11-V471 HydrophobicContact CB-CB 3.79Å; P11-V471 HydrophobicContact CB-CG1 3.85Å; P11-V471 HydrophobicContact CB-CG2 4.32Å; P11-V471 HydrophobicContact CG-CB 4.26Å; P11-V471 HydrophobicContact CG-CG1 4.25Å; V13-V471 HydrophobicContact CG2-CG2 3.6Å; S30-V471 WeakPolarHBondContact CB-O 3.41Å; S30-V471 PolarHBondContact OG-O 3.38Å; K86-V471 HydrophobicContact CB-CG1 4.01Å; K86-V471 HydrophobicContact CB-CG2 4.45Å; K86-V471 HydrophobicContact CG-CG1 4.08Å; G464-V471 PolarHBondContact O-N 2.97Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 HydrophobicContact CG1-CG1 4.17Å; V469-V471 HydrophobicContact CG1-CG2 3.91Å; V469-V471 WeakPolarHBondContact O-CG1 3.44Å; V469-V471 PolarHBondContact O-N 2.68Å; V469-V471 VanDerWaalsContact O-N 3.1Å | ||
| 472 | W | 93.9 | Very high | 84.8 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 8% | 0.076 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -124.7 | 127.8 | -179.1 | -155.9 | -61.4 | 0 | 0 | 0 | 111 | V13 F28 S30 A33 L457 A460 M461 G464 A465 | V13-W472 HydrophobicContact CB-CE3 4.41Å; V13-W472 HydrophobicContact CB-CZ3 4.5Å; V13-W472 HydrophobicContact CG2-CE3 4.03Å; F28-W472 HydrophobicContact CB-CH2 4.11Å; F28-W472 HydrophobicContact CB-CZ3 4.01Å; S30-W472 VanDerWaalsContact CA-CE3 3.42Å; A33-W472 HydrophobicContact CB-CH2 3.85Å; A33-W472 HydrophobicContact CB-CZ2 3.64Å; L457-W472 HydrophobicContact CD1-CH2 3.56Å; L457-W472 HydrophobicContact CD1-CZ2 3.77Å; A460-W472 HydrophobicContact CB-CZ3 4.44Å; M461-W472 HydrophobicContact CG-CD2 4.15Å; M461-W472 HydrophobicContact CG-CH2 4.34Å; M461-W472 HydrophobicContact CG-CZ2 3.65Å; G464-W472 PolarHBondContact O-N 2.93Å; A465-W472 WeakPolarHBondContact CA-O 3.49Å |
| 473 | S | 89.9 | Confident | 83.9 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | trans | -95.8 | 129.8 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | E475 | S473-E475 PolarHBondContact OG-N 3.12Š| ||
| 474 | L | 88.1 | Confident | 83.3 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | trans | -95.3 | 7.6 | 175.5 | -54.2 | -177.9 | 0 | 0 | 0 | 112.6 | F270 L308 M461 A465 | F270-L474 HydrophobicContact CZ-CD2 4.47Å; L308-L474 HydrophobicContact CD1-CD1 3.74Å; L308-L474 HydrophobicContact CD2-CD1 4.35Å; L308-L474 HydrophobicContact CG-CD1 4.46Å; M461-L474 HydrophobicContact CB-CD2 3.84Å; M461-L474 HydrophobicContact CE-CD2 3.59Å; M461-L474 HydrophobicContact CG-CD2 4.37Å; A465-L474 HydrophobicContact CB-CD1 3.59Å; A465-L474 HydrophobicContact CB-CD2 4.17Å; A465-L474 HydrophobicContact CB-CG 3.67Å | ||
| 475 | E | 82.2 | Confident | 83 | Confident | 123 Ų | 123 | 70.2 Ų | 70.2 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -70.8 | 135.9 | 177.9 | -70 | -65.1 | 161.1 | 0 | 0 | 110.7 | S473 Q477 A478 L479 | S473-E475 PolarHBondContact OG-N 3.12Å; E475-Q477 PolarHBondContact O-N 3.47Å; E475-A478 WeakPolarHBondContact O-CB 3.33Å; E475-A478 PolarHBondContact O-N 2.9Å; E475-L479 WeakPolarHBondContact O-CG 3.18Å |
| 476 | P | 71.1 | Confident | 82.8 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -32.6 | -174.6 | -30 | 35.4 | 0 | 0 | 0 | 115.8 | L479 | P476-L479 WeakPolarHBondContact O-CB 3.45Å; P476-L479 PolarHBondContact O-N 3.35Å |
| 477 | Q | 67.4 | Low | 82.8 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -35.8 | -179.4 | -59.5 | 80.5 | 7 | 0 | 0 | 112.4 | E475 L479 S480 | E475-Q477 PolarHBondContact O-N 3.47Å; Q477-L479 PolarHBondContact O-N 2.93Å; Q477-S480 PolarHBondContact O-OG 3.16Å |
| 478 | A | 62.6 | Low | 82.9 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -70.8 | -17.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E475 | E475-A478 WeakPolarHBondContact O-CB 3.33Å; E475-A478 PolarHBondContact O-N 2.9Å |
| 479 | L | 63.2 | Low | 83 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -90.5 | -6.9 | -174.7 | -58.1 | 179.4 | 0 | 0 | 0 | 113.9 | M268 F270 M461 E475 P476 Q477 V481 L482 | M268-L479 HydrophobicContact CB-CD1 4.24Å; M268-L479 HydrophobicContact CE-CB 3.72Å; M268-L479 HydrophobicContact CE-CD1 4.31Å; M268-L479 HydrophobicContact CE-CD2 3.47Å; M268-L479 VanDerWaalsContact CE-CD2 3.47Å; M268-L479 HydrophobicContact CE-CG 3.96Å; M268-L479 HydrophobicContact CG-CD1 4.04Å; M268-L479 HydrophobicContact SD-CB 3.56Å; M268-L479 VanDerWaalsContact SD-CB 3.56Å; M268-L479 HydrophobicContact SD-CD1 3.93Å; M268-L479 HydrophobicContact SD-CD2 4.19Å; M268-L479 HydrophobicContact SD-CG 4.05Å; F270-L479 HydrophobicContact CD2-CD1 4.1Å; F270-L479 HydrophobicContact CE2-CD1 3.81Å; M461-L479 HydrophobicContact CE-CD2 3.88Å; E475-L479 WeakPolarHBondContact O-CG 3.18Å; P476-L479 WeakPolarHBondContact O-CB 3.45Å; P476-L479 PolarHBondContact O-N 3.35Å; Q477-L479 PolarHBondContact O-N 2.93Å; L479-V481 PolarHBondContact O-N 3.32Å; L479-L482 PolarHBondContact O-N 2.83Å |
| 480 | S | 59.8 | Low | 82.9 | Confident | 100 Ų | 100 | 76.2 Ų | 76.2 | 70% | 0.699 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -63.8 | -6.1 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 115 | Q477 | Q477-S480 PolarHBondContact O-OG 3.16Š|
| 481 | V | 62 | Low | 82.9 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -80.3 | -19.5 | -178.7 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | L479 R483 | L479-V481 PolarHBondContact O-N 3.32Å; V481-R483 PolarHBondContact O-N 3.48Å |
| 482 | L | 71.9 | Confident | 83 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | trans | -70.1 | 119.3 | 178.5 | -76.2 | -162.8 | 0 | 0 | 0 | 112.1 | A33 M268 L457 L479 | A33-L482 HydrophobicContact CB-CD2 3.6Å; M268-L482 HydrophobicContact CE-CB 4.46Å; M268-L482 HydrophobicContact CE-CD1 3.17Å; M268-L482 HydrophobicContact CE-CG 3.49Å; M268-L482 VanDerWaalsContact CE-CG 3.49Å; M268-L482 HydrophobicContact SD-CD1 3.7Å; M268-L482 HydrophobicContact SD-CG 4.28Å; L457-L482 HydrophobicContact CD2-CD1 4.05Å; L457-L482 HydrophobicContact CD2-CD2 4.22Å; L479-L482 PolarHBondContact O-N 2.83Å | ||
| 483 | R | 79.3 | Confident | 83 | Confident | 178 Ų | 178 | 79.6 Ų | 79.6 | 67% | 0.672 | 41% | 0.41 | S | S | * | . | trans | -72.8 | 129.4 | 171 | -64.6 | 178.1 | 64.3 | 180 | -0.2 | 109.4 | F450 V481 | F450-R483 HydrophobicContact CB-CB 4.07Å; F450-R483 VanDerWaalsContact CD2-C 3.5Å; F450-R483 HydrophobicContact CD2-CB 3.56Å; F450-R483 WeakPolarHBondContact CD2-O 3.24Å; F450-R483 HydrophobicContact CE2-CB 4.18Å; F450-R483 HydrophobicContact CG-CB 3.92Å; F450-R483 PolarHBondContact N-O 3.29Å; V481-R483 PolarHBondContact O-N 3.48Å | ||
| 484 | M | 85.8 | Confident | 83.3 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 48% | 0.478 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141.1 | 178.3 | -64.7 | -177 | -92.6 | 0 | 0 | 110.6 | I447 K448 | I447-M484 HydrophobicContact CG2-CB 3.78Å; I447-M484 HydrophobicContact CG2-CG 4.03Å; I447-M484 HydrophobicContact CG2-SD 3.46Å; I447-M484 WeakPolarHBondContact CG2-SD 3.47Å; K448-M484 CarbonylContact O-C 3.48Å; K448-M484 WeakPolarHBondContact O-CA 3.48Å |
| 485 | E | 91.5 | Very high | 83.6 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 29% | 0.29 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.1 | 166.8 | -172.4 | 175 | -155.6 | 0 | 0 | 108.3 | K448 F450 F487 | K448-E485 PolarHBondContact N-O 2.86Å; K448-E485 PolarHBondContact O-N 3.37Å; F450-E485 HydrophobicContact CE2-CB 4.27Å; E485-F487 HydrophobicContact CB-CE2 4.3Å; E485-F487 VanDerWaalsContact CD-CZ 3.46Å; E485-F487 HydrophobicContact CG-CE2 3.78Å; E485-F487 HydrophobicContact CG-CZ 3.87Å |
| 486 | R | 94.6 | Very high | 84.2 | Confident | 124 Ų | 124 | 76.7 Ų | 76.7 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.6 | -174.2 | -177.9 | 173.8 | 169.3 | 93.9 | -0.5 | 110 | P445 V446 E488 | P445-R486 VanDerWaalsContact CB-NH2 3.31Å; V446-R486 WeakPolarHBondContact O-CA 3.38Å; R486-E488 IonicContact CZ-OE1 3.26Å; R486-E488 IonicContact NE-OE1 3.13Å; R486-E488 PolarHBondContact NE-OE1 2.86Å; R486-E488 IonicContact NH2-OE1 3.6Å; R486-E488 PolarHBondContact NH2-OE1 2.77Å; R486-E488 IonicContact NH2-OE2 3.59Å |
| 487 | F | 97.1 | Very high | 85.4 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 8% | 0.075 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.9 | 177.6 | -59.6 | -95.7 | 0 | 0 | 0 | 108.1 | M435 A439 P445 V446 K448 E485 | M435-F487 HydrophobicContact CB-CD1 3.96Å; M435-F487 HydrophobicContact CB-CD2 3.88Å; M435-F487 HydrophobicContact CB-CE1 3.81Å; M435-F487 HydrophobicContact CB-CE2 3.75Å; M435-F487 HydrophobicContact CB-CG 4Å; M435-F487 HydrophobicContact CB-CZ 3.72Å; M435-F487 HydrophobicContact CG-CE2 4.15Å; M435-F487 HydrophobicContact CG-CZ 4.19Å; A439-F487 HydrophobicContact CB-CB 4.11Å; P445-F487 WeakPolarHBondContact CA-O 3.5Å; V446-F487 HydrophobicContact CB-CB 4.28Å; V446-F487 HydrophobicContact CG1-CD2 4.48Å; V446-F487 PolarHBondContact N-O 2.83Å; V446-F487 PolarHBondContact O-N 2.84Å; K448-F487 HydrophobicContact CB-CE2 4.14Å; E485-F487 HydrophobicContact CB-CE2 4.3Å; E485-F487 VanDerWaalsContact CD-CZ 3.46Å; E485-F487 HydrophobicContact CG-CE2 3.78Å; E485-F487 HydrophobicContact CG-CZ 3.87Å |
| 488 | E | 97.6 | Very high | 86.8 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 39% | 0.39 | S | S | . | . | trans | -90.6 | 145.4 | 175.7 | -65.6 | -68.4 | -177.6 | 0 | 0 | 110 | Q436 P445 R486 Q490 | Q436-E488 PolarHBondContact NE2-O 2.99Å; P445-E488 WeakPolarHBondContact CG-OE2 3.39Å; R486-E488 IonicContact CZ-OE1 3.26Å; R486-E488 IonicContact NE-OE1 3.13Å; R486-E488 PolarHBondContact NE-OE1 2.86Å; R486-E488 IonicContact NH2-OE1 3.6Å; R486-E488 PolarHBondContact NH2-OE1 2.77Å; R486-E488 IonicContact NH2-OE2 3.59Å; E488-Q490 PolarHBondContact O-N 3.26Å | ||
| 489 | P | 97.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | trans | -57.5 | 130.4 | 173.3 | -20.8 | 31.5 | 0 | 0 | 0 | 111.3 | ||||
| 490 | Q | 96.3 | Very high | 89.9 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 69% | 0.687 | 37% | 0.374 | S | S | * | . | trans | -107.3 | -9.2 | -179.7 | -69.9 | 178.7 | 9 | 0 | 0 | 113.1 | Q436 D440 E488 | Q436-Q490 VanDerWaalsContact CD-CD 3.46Å; Q436-Q490 VanDerWaalsContact OE1-NE2 3.11Å; D440-Q490 PolarHBondContact OD1-N 3.22Å; E488-Q490 PolarHBondContact O-N 3.26Å | ||
| 491 | I | 94.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -104.7 | 160.1 | 175.9 | 70.9 | 172.3 | 0 | 0 | 0 | 112.2 | D440 H443 E495 | D440-I491 HydrophobicContact CB-CD1 3.79Å; D440-I491 HydrophobicContact CB-CG1 3.75Å; D440-I491 HydrophobicContact CB-CG2 4.31Å; H443-I491 PolarHBondContact CE1-O 3.48Å; H443-I491 PolarHBondContact ND1-O 3.27Å; I491-E495 HydrophobicContact CD1-CB 4.43Å; I491-E495 HydrophobicContact CD1-CG 4.37Å |
| 492 | Q | 95.8 | Very high | 93.2 | Very high | 138 Ų | 138 | 71.1 Ų | 71.1 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | trans | -69.9 | 146.7 | 172.8 | -64.2 | -173.1 | -6.9 | 0 | 0 | 111 | T494 E495 S496 | Q492-T494 PolarHBondContact O-N 3.39Å; Q492-T494 PolarHBondContact OE1-OG1 2.84Å; Q492-E495 WeakPolarHBondContact O-CB 3.48Å; Q492-E495 PolarHBondContact O-N 3.09Å; Q492-S496 PolarHBondContact O-N 3.47Å | ||
| 493 | A | 94.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.7 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E495 S496 E497 | A493-E495 VanDerWaalsContact C-N 3.33Å; A493-E495 PolarHBondContact O-N 2.95Å; A493-S496 WeakPolarHBondContact O-CB 3.38Å; A493-S496 PolarHBondContact O-N 3.5Å; A493-E497 WeakPolarHBondContact O-CG 3.4Å; A493-E497 PolarHBondContact O-N 3.46Å |
| 494 | T | 96.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 64.6 Ų | 64.6 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 177.8 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | Q492 I498 | Q492-T494 PolarHBondContact O-N 3.39Å; Q492-T494 PolarHBondContact OE1-OG1 2.84Å; T494-I498 WeakPolarHBondContact O-CD1 3.42Å; T494-I498 VanDerWaalsContact O-CG1 3.25Å; T494-I498 WeakPolarHBondContact O-CG1 3.47Å; T494-I498 PolarHBondContact O-N 3.48Å; T494-I498 VanDerWaalsContact O-N 3.09Å |
| 495 | E | 94.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.9 | -175.1 | 179.4 | 167.6 | 0 | 0 | 111.1 | I491 Q492 A493 E497 I498 R499 | I491-E495 HydrophobicContact CD1-CB 4.43Å; I491-E495 HydrophobicContact CD1-CG 4.37Å; Q492-E495 WeakPolarHBondContact O-CB 3.48Å; Q492-E495 PolarHBondContact O-N 3.09Å; A493-E495 VanDerWaalsContact C-N 3.33Å; A493-E495 PolarHBondContact O-N 2.95Å; E495-E497 PolarHBondContact O-N 2.96Å; E495-I498 PolarHBondContact O-N 3.31Å; E495-R499 WeakPolarHBondContact O-CG 3.17Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 3.98Å; E495-R499 VanDerWaalsContact OE1-CZ 3.32Å; E495-R499 IonicContact OE1-NE 3.22Å; E495-R499 PolarHBondContact OE1-NE 2.87Å; E495-R499 IonicContact OE1-NH2 2.61Å; E495-R499 PolarHBondContact OE1-NH2 3.11Å |
| 496 | S | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | R405 D440 I441 Q492 A493 I498 R499 Y500 | R405-S496 PolarHBondContact NH1-OG 3.1Å; D440-S496 WeakPolarHBondContact O-CB 3.27Å; D440-S496 PolarHBondContact O-OG 3.47Å; I441-S496 WeakPolarHBondContact CA-OG 3.38Å; I441-S496 PolarHBondContact O-OG 3.38Å; Q492-S496 PolarHBondContact O-N 3.47Å; A493-S496 WeakPolarHBondContact O-CB 3.38Å; A493-S496 PolarHBondContact O-N 3.5Å; S496-I498 PolarHBondContact O-N 3.26Å; S496-R499 PolarHBondContact O-N 3.25Å; S496-Y500 WeakPolarHBondContact O-CB 3.5Å; S496-Y500 PolarHBondContact O-N 3.33Å |
| 497 | E | 96.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 58 Ų | 58 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.3 | -70.6 | -51.7 | 136.3 | 0 | 0 | 113 | R405 A493 E495 Y500 A501 | R405-E497 IonicContact CZ-OE1 2.84Å; R405-E497 IonicContact NH1-OE1 2.79Å; R405-E497 IonicContact NH2-OE1 2.72Å; R405-E497 PolarHBondContact NH2-OE1 2.86Å; R405-E497 IonicContact NH2-OE2 3.66Å; R405-E497 PolarHBondContact NH2-OE2 3.42Å; A493-E497 WeakPolarHBondContact O-CG 3.4Å; A493-E497 PolarHBondContact O-N 3.46Å; E495-E497 PolarHBondContact O-N 2.96Å; E497-Y500 PolarHBondContact O-N 3Å; E497-A501 WeakPolarHBondContact O-CB 3.41Å; E497-A501 PolarHBondContact O-N 2.93Å |
| 498 | I | 95.6 | Very high | 95.5 | Very high | 113 Ų | 113 | 63 Ų | 63 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | -179 | -71.5 | 164.2 | 0 | 0 | 0 | 110.9 | T494 E495 S496 T502 | T494-I498 WeakPolarHBondContact O-CD1 3.42Å; T494-I498 VanDerWaalsContact O-CG1 3.25Å; T494-I498 WeakPolarHBondContact O-CG1 3.47Å; T494-I498 PolarHBondContact O-N 3.48Å; T494-I498 VanDerWaalsContact O-N 3.09Å; E495-I498 PolarHBondContact O-N 3.31Å; S496-I498 PolarHBondContact O-N 3.26Å; I498-T502 WeakPolarHBondContact O-CB 3.12Å; I498-T502 PolarHBondContact O-N 3.39Å; I498-T502 PolarHBondContact O-OG1 2.92Å |
| 499 | R | 95.5 | Very high | 95.3 | Very high | 36 Ų | 36 | 65.7 Ų | 65.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -49.4 | 178.6 | -71.2 | 180 | -178.8 | -144.8 | 11.3 | 110.6 | Y359 E398 F402 I441 E495 S496 T502 W503 | Y359-R499 WeakPolarHBondContact CE1-O 3.49Å; E398-R499 IonicContact OE1-CZ 2.78Å; E398-R499 IonicContact OE1-NH1 2.66Å; E398-R499 PolarHBondContact OE1-NH1 2.87Å; F402-R499 HydrophobicContact CE1-CB 4.11Å; F402-R499 HydrophobicContact CZ-CB 3.92Å; I441-R499 HydrophobicContact CD1-CB 4.49Å; E495-R499 WeakPolarHBondContact O-CG 3.17Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 3.98Å; E495-R499 VanDerWaalsContact OE1-CZ 3.32Å; E495-R499 IonicContact OE1-NE 3.22Å; E495-R499 PolarHBondContact OE1-NE 2.87Å; E495-R499 IonicContact OE1-NH2 2.61Å; E495-R499 PolarHBondContact OE1-NH2 3.11Å; S496-R499 PolarHBondContact O-N 3.25Å; R499-T502 PolarHBondContact O-N 3.18Å; R499-W503 PolarHBondContact O-N 3.44Å |
| 500 | Y | 96 | Very high | 95.1 | Very high | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 179.6 | 177.8 | -124.3 | 0 | 0 | 0 | 113.2 | F402 R405 E406 E409 S496 E497 T502 W503 K504 | F402-Y500 HydrophobicContact CB-CD2 4.49Å; F402-Y500 AromaticContact CD1-CD2 3.76Å; F402-Y500 HydrophobicContact CD1-CD2 3.76Å; F402-Y500 HydrophobicContact CD1-CG 4.43Å; F402-Y500 HydrophobicContact CE1-CD2 4.46Å; F402-Y500 HydrophobicContact CG-CD2 4.48Å; R405-Y500 HydrophobicContact CB-CE2 4.43Å; R405-Y500 HydrophobicContact CG-CD2 4.47Å; R405-Y500 HydrophobicContact CG-CE1 4.48Å; R405-Y500 HydrophobicContact CG-CE2 4.15Å; R405-Y500 VanDerWaalsContact CZ-CD1 3.46Å; E406-Y500 HydrophobicContact CG-CE2 3.71Å; E406-Y500 VanDerWaalsContact CG-OH 3.24Å; E406-Y500 WeakPolarHBondContact CG-OH 3.48Å; E409-Y500 VanDerWaalsContact CD-CE1 3.46Å; E409-Y500 VanDerWaalsContact CD-OH 3.3Å; E409-Y500 WeakPolarHBondContact OE1-CE1 3.16Å; E409-Y500 WeakPolarHBondContact OE2-CE1 3.09Å; E409-Y500 PolarHBondContact OE2-OH 2.98Å; S496-Y500 WeakPolarHBondContact O-CB 3.5Å; S496-Y500 PolarHBondContact O-N 3.33Å; E497-Y500 PolarHBondContact O-N 3Å; Y500-T502 VanDerWaalsContact C-N 3.26Å; Y500-T502 PolarHBondContact O-N 2.92Å; Y500-W503 HydrophobicContact CD2-CE3 4.16Å; Y500-W503 HydrophobicContact CE2-CE3 4.17Å; Y500-W503 HydrophobicContact CE2-CZ3 4.13Å; Y500-W503 PolarHBondContact O-N 2.46Å; Y500-K504 HydrophobicContact CD2-CG 4.46Å; Y500-K504 HydrophobicContact CE1-CD 3.97Å; Y500-K504 VanDerWaalsContact CE1-NZ 3.35Å; Y500-K504 HydrophobicContact CE2-CD 4.23Å; Y500-K504 HydrophobicContact CE2-CG 4.14Å; Y500-K504 PolarHBondContact O-N 3.01Å |
| 501 | A | 96.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 59 Ų | 59 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E497 K505 | E497-A501 WeakPolarHBondContact O-CB 3.41Å; E497-A501 PolarHBondContact O-N 2.93Å; A501-K505 PolarHBondContact O-N 3.32Å |
| 502 | T | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 60 Ų | 60 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.5 | -41.7 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | Y359 I498 R499 Y500 K504 K505 A506 | Y359-T502 HydrophobicContact CD2-CG2 4.02Å; Y359-T502 HydrophobicContact CE1-CG2 4.41Å; Y359-T502 HydrophobicContact CE2-CG2 3.31Å; Y359-T502 WeakPolarHBondContact OH-CB 3.34Å; I498-T502 WeakPolarHBondContact O-CB 3.12Å; I498-T502 PolarHBondContact O-N 3.39Å; I498-T502 PolarHBondContact O-OG1 2.92Å; R499-T502 PolarHBondContact O-N 3.18Å; Y500-T502 VanDerWaalsContact C-N 3.26Å; Y500-T502 PolarHBondContact O-N 2.92Å; T502-K504 VanDerWaalsContact C-N 3.34Å; T502-K504 PolarHBondContact O-N 3.28Å; T502-K505 VanDerWaalsContact O-CB 3.32Å; T502-K505 WeakPolarHBondContact O-CB 3.18Å; T502-K505 PolarHBondContact O-N 2.92Å; T502-K505 VanDerWaalsContact O-N 3.08Å; T502-A506 PolarHBondContact O-N 3.49Å |
| 503 | W | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 174.9 | -179.9 | 83 | 0 | 0 | 0 | 112.2 | Y359 F360 F402 Q403 E406 R499 Y500 K505 A506 V507 | Y359-W503 HydrophobicContact CD1-CB 3.63Å; Y359-W503 AromaticContact CD1-CD1 3.88Å; Y359-W503 HydrophobicContact CD1-CG 4.15Å; Y359-W503 HydrophobicContact CE1-CB 3.83Å; F360-W503 PolarHBondContact O-NE1 3.05Å; F402-W503 HydrophobicContact CB-CD2 3.42Å; F402-W503 VanDerWaalsContact CB-CD2 3.42Å; F402-W503 HydrophobicContact CB-CE3 3.46Å; F402-W503 VanDerWaalsContact CB-CE3 3.46Å; F402-W503 HydrophobicContact CB-CG 3.99Å; F402-W503 HydrophobicContact CB-CH2 3.82Å; F402-W503 HydrophobicContact CB-CZ2 3.86Å; F402-W503 HydrophobicContact CB-CZ3 3.6Å; F402-W503 HydrophobicContact CD1-CB 4.36Å; F402-W503 HydrophobicContact CD1-CG 4.5Å; F402-W503 HydrophobicContact CD2-CB 3.66Å; F402-W503 AromaticContact CD2-CD1 3.4Å; F402-W503 VanDerWaalsContact CD2-CD1 3.4Å; F402-W503 AromaticContact CD2-CD2 3.72Å; F402-W503 HydrophobicContact CD2-CD2 3.72Å; F402-W503 HydrophobicContact CD2-CE3 4.43Å; F402-W503 AromaticContact CD2-CG 3.29Å; F402-W503 HydrophobicContact CD2-CG 3.29Å; F402-W503 AromaticContact CD2-NE1 3.84Å; F402-W503 HydrophobicContact CE1-CB 4.41Å; F402-W503 HydrophobicContact CE2-CB 3.72Å; F402-W503 AromaticContact CE2-CD1 3.92Å; F402-W503 AromaticContact CE2-CG 3.81Å; F402-W503 HydrophobicContact CE2-CG 3.81Å; F402-W503 HydrophobicContact CG-CB 4.02Å; F402-W503 AromaticContact CG-CD2 3.7Å; F402-W503 HydrophobicContact CG-CD2 3.7Å; F402-W503 AromaticContact CG-CE3 3.97Å; F402-W503 HydrophobicContact CG-CE3 3.97Å; F402-W503 AromaticContact CG-CG 3.71Å; F402-W503 HydrophobicContact CG-CG 3.71Å; F402-W503 HydrophobicContact CZ-CB 4.12Å; Q403-W503 HydrophobicContact CB-CH2 4.49Å; Q403-W503 HydrophobicContact CG-CH2 3.79Å; Q403-W503 HydrophobicContact CG-CZ2 3.72Å; E406-W503 VanDerWaalsContact CD-CH2 3.45Å; E406-W503 HydrophobicContact CG-CH2 4.26Å; E406-W503 HydrophobicContact CG-CZ3 3.74Å; E406-W503 WeakPolarHBondContact OE1-CZ3 3.34Å; E406-W503 WeakPolarHBondContact OE2-CH2 3.11Å; E406-W503 WeakPolarHBondContact OE2-CZ3 3.24Å; R499-W503 PolarHBondContact O-N 3.44Å; Y500-W503 HydrophobicContact CD2-CE3 4.16Å; Y500-W503 HydrophobicContact CE2-CE3 4.17Å; Y500-W503 HydrophobicContact CE2-CZ3 4.13Å; Y500-W503 PolarHBondContact O-N 2.46Å; W503-K505 PolarHBondContact O-N 2.53Å; W503-A506 CarbonylContact O-C 3.58Å; W503-A506 WeakPolarHBondContact O-CA 3.37Å; W503-A506 VanDerWaalsContact O-CB 3.23Å; W503-A506 WeakPolarHBondContact O-CB 3.23Å; W503-A506 PolarHBondContact O-N 2.87Å; W503-V507 HydrophobicContact CD2-CG2 3.83Å; W503-V507 HydrophobicContact CE3-CG2 3.82Å; W503-V507 HydrophobicContact CH2-CG2 3.57Å; W503-V507 HydrophobicContact CZ2-CG2 3.52Å; W503-V507 HydrophobicContact CZ3-CG2 3.73Å; W503-V507 PolarHBondContact O-N 3.05Å |
| 504 | K | 94.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 172.1 | -75.9 | -172.3 | -67.3 | -165.4 | 0 | 113 | Y500 T502 A506 V507 M508 | Y500-K504 HydrophobicContact CD2-CG 4.46Å; Y500-K504 HydrophobicContact CE1-CD 3.97Å; Y500-K504 VanDerWaalsContact CE1-NZ 3.35Å; Y500-K504 HydrophobicContact CE2-CD 4.23Å; Y500-K504 HydrophobicContact CE2-CG 4.14Å; Y500-K504 PolarHBondContact O-N 3.01Å; T502-K504 VanDerWaalsContact C-N 3.34Å; T502-K504 PolarHBondContact O-N 3.28Å; K504-A506 VanDerWaalsContact C-N 3.31Å; K504-A506 PolarHBondContact O-N 3.25Å; K504-V507 PolarHBondContact O-N 3.22Å; K504-M508 WeakPolarHBondContact O-CG 3.24Å; K504-M508 PolarHBondContact O-N 2.8Å |
| 505 | K | 95.2 | Very high | 92.2 | Very high | 141 Ų | 141 | 63.2 Ų | 63.2 | 61% | 0.613 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | 172.2 | -63.7 | 172.5 | -176.3 | 173.7 | 0 | 112 | A501 T502 W503 K509 | A501-K505 PolarHBondContact O-N 3.32Å; T502-K505 VanDerWaalsContact O-CB 3.32Å; T502-K505 WeakPolarHBondContact O-CB 3.18Å; T502-K505 PolarHBondContact O-N 2.92Å; T502-K505 VanDerWaalsContact O-N 3.08Å; W503-K505 PolarHBondContact O-N 2.53Å; K505-K509 WeakPolarHBondContact O-CG 3.45Å; K505-K509 PolarHBondContact O-N 3.41Å |
| 506 | A | 95.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V361 I379 T502 W503 K504 M508 K509 S510 | V361-A506 HydrophobicContact CG2-CB 3.75Å; I379-A506 HydrophobicContact CD1-CB 4.14Å; I379-A506 WeakPolarHBondContact CD1-O 3.37Å; T502-A506 PolarHBondContact O-N 3.49Å; W503-A506 CarbonylContact O-C 3.58Å; W503-A506 WeakPolarHBondContact O-CA 3.37Å; W503-A506 VanDerWaalsContact O-CB 3.23Å; W503-A506 WeakPolarHBondContact O-CB 3.23Å; W503-A506 PolarHBondContact O-N 2.87Å; K504-A506 VanDerWaalsContact C-N 3.31Å; K504-A506 PolarHBondContact O-N 3.25Å; A506-M508 VanDerWaalsContact C-N 3.31Å; A506-M508 PolarHBondContact O-N 2.93Å; A506-K509 WeakPolarHBondContact O-CA 3.34Å; A506-K509 WeakPolarHBondContact O-CB 3.4Å; A506-K509 PolarHBondContact O-N 3.2Å; A506-S510 PolarHBondContact O-N 2.83Å |
| 507 | V | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -53.2 | -47.4 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | V361 L367 Y371 W503 K504 K509 S510 M511 | V361-V507 HydrophobicContact CG1-CG2 4.16Å; V361-V507 HydrophobicContact CG2-CG2 3.94Å; L367-V507 HydrophobicContact CD1-CG1 3.76Å; Y371-V507 HydrophobicContact CD2-CG1 4.14Å; Y371-V507 HydrophobicContact CE1-CG1 4.38Å; Y371-V507 HydrophobicContact CE2-CG1 3.59Å; W503-V507 HydrophobicContact CD2-CG2 3.83Å; W503-V507 HydrophobicContact CE3-CG2 3.82Å; W503-V507 HydrophobicContact CH2-CG2 3.57Å; W503-V507 HydrophobicContact CZ2-CG2 3.52Å; W503-V507 HydrophobicContact CZ3-CG2 3.73Å; W503-V507 PolarHBondContact O-N 3.05Å; K504-V507 PolarHBondContact O-N 3.22Å; V507-K509 PolarHBondContact O-N 3.3Å; V507-S510 WeakPolarHBondContact O-CB 3.4Å; V507-S510 PolarHBondContact O-N 2.74Å; V507-S510 PolarHBondContact O-OG 2.87Å; V507-M511 HydrophobicContact CG1-CE 3.7Å |
| 508 | M | 93.6 | Very high | 84.8 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.2 | -32 | 176.7 | -66.9 | -56.4 | -59.2 | 0 | 0 | 113.7 | K504 A506 S510 M511 | K504-M508 WeakPolarHBondContact O-CG 3.24Å; K504-M508 PolarHBondContact O-N 2.8Å; A506-M508 VanDerWaalsContact C-N 3.31Å; A506-M508 PolarHBondContact O-N 2.93Å; M508-S510 VanDerWaalsContact C-N 3.29Å; M508-M511 HydrophobicContact CE-SD 4.23Å; M508-M511 HydrophobicContact SD-CE 4.36Å; M508-M511 HydrophobicContact SD-SD 3.96Å |
| 509 | K | 93.5 | Very high | 82.2 | Confident | 146 Ų | 146 | 73.8 Ų | 73.8 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -76.5 | -17.4 | 176 | -67.5 | -179.6 | 179 | -167.7 | 0 | 113.3 | I379 K505 A506 V507 | I379-K509 HydrophobicContact CD1-CB 4.18Å; K505-K509 WeakPolarHBondContact O-CG 3.45Å; K505-K509 PolarHBondContact O-N 3.41Å; A506-K509 WeakPolarHBondContact O-CA 3.34Å; A506-K509 WeakPolarHBondContact O-CB 3.4Å; A506-K509 PolarHBondContact O-N 3.2Å; V507-K509 PolarHBondContact O-N 3.3Å |
| 510 | S | 92.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -80.8 | -21.3 | 178.5 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | A376 R377 A506 V507 M508 W513 | A376-S510 CarbonylContact C-O 3.45Å; A376-S510 WeakPolarHBondContact CA-O 3.44Å; R377-S510 PolarHBondContact N-O 3.33Å; R377-S510 VanDerWaalsContact N-O 3.08Å; R377-S510 WeakPolarHBondContact O-CB 3.42Å; A506-S510 PolarHBondContact O-N 2.83Å; V507-S510 WeakPolarHBondContact O-CB 3.4Å; V507-S510 PolarHBondContact O-N 2.74Å; V507-S510 PolarHBondContact O-OG 2.87Å; M508-S510 VanDerWaalsContact C-N 3.29Å; S510-W513 WeakPolarHBondContact O-CB 3.46Å |
| 511 | M | 91.4 | Very high | 77.3 | Confident | 44 Ų | 44 | 86.5 Ų | 86.5 | 22% | 0.217 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 152.8 | -176.1 | -62.5 | 174.2 | 175.3 | 0 | 0 | 112.3 | L367 Y371 E373 V507 M508 W513 | L367-M511 HydrophobicContact CD1-CE 3.92Å; L367-M511 HydrophobicContact CD1-CG 4.37Å; Y371-M511 HydrophobicContact CD1-CE 3.21Å; Y371-M511 HydrophobicContact CD2-CE 4.07Å; Y371-M511 HydrophobicContact CE1-CE 3.66Å; Y371-M511 HydrophobicContact CE2-CE 4.44Å; Y371-M511 HydrophobicContact CG-CE 3.43Å; Y371-M511 VanDerWaalsContact CG-CE 3.43Å; E373-M511 HydrophobicContact CB-CG 4.45Å; E373-M511 HydrophobicContact CG-CB 4.03Å; E373-M511 HydrophobicContact CG-CG 3.94Å; V507-M511 HydrophobicContact CG1-CE 3.7Å; M508-M511 HydrophobicContact CE-SD 4.23Å; M508-M511 HydrophobicContact SD-CE 4.36Å; M508-M511 HydrophobicContact SD-SD 3.96Å; M511-W513 PolarHBondContact O-N 3.47Å |
| 512 | G | 85.5 | Confident | 74.7 | Confident | 48 Ų | 48 | 87 Ų | 87 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 18 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S375 | S375-G512 VanDerWaalsContact OG-CA 3.24Å; S375-G512 WeakPolarHBondContact OG-CA 3.43Å; S375-G512 PolarHBondContact OG-N 3.23Å |
| 513 | W | 84.6 | Confident | 72.1 | Confident | 163 Ų | 163 | 90.8 Ų | 90.8 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | trans | -71.8 | -43.5 | -173.6 | -168.4 | -83.2 | 0 | 0 | 0 | 111.9 | S375 R377 I379 S510 M511 | S375-W513 PolarHBondContact O-N 3.47Å; R377-W513 HydrophobicContact CB-CB 4.01Å; R377-W513 HydrophobicContact CB-CG 3.78Å; R377-W513 HydrophobicContact CG-CB 4.12Å; R377-W513 HydrophobicContact CG-CG 4.06Å; I379-W513 HydrophobicContact CG2-CE3 4.39Å; I379-W513 HydrophobicContact CG2-CZ3 4.21Å; S510-W513 WeakPolarHBondContact O-CB 3.46Å; M511-W513 PolarHBondContact O-N 3.47Å | ||
| 514 | V | 80.8 | Confident | 69.6 | Low | 65 Ų | 65 | 96.9 Ų | 96.9 | 39% | 0.394 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -85.2 | 113.4 | 171 | -179.1 | 0 | 0 | 0 | 0 | 109 | S375 R377 | S375-V514 PolarHBondContact O-N 3.34Å; R377-V514 HydrophobicContact CG-CG2 3.9Å; R377-V514 VanDerWaalsContact CZ-CG2 3.45Å |
| 515 | T | 74 | Confident | 67.3 | Low | 106 Ų | 106 | 97.1 Ų | 97.1 | 65% | 0.65 | 56% | 0.557 | S | S | * | * | trans | -83.2 | 122.1 | 168.2 | 48.1 | 0 | 0 | 0 | 0 | 108.6 | Q517 | T515-Q517 PolarHBondContact O-N 3.4Š| ||
| 516 | S | 51.2 | Low | 65 | Low | 125 Ų | 125 | 97.9 Ų | 97.9 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | trans | -73.2 | 64.3 | 174 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 517 | Q | 41.7 | Very low | 62.6 | Low | 165 Ų | 165 | 107.2 Ų | 107.2 | 77% | 0.771 | 61% | 0.606 | S | S | * | * | trans | -110.4 | 99.7 | 161.1 | -72.7 | -173 | -7.8 | 0 | 0 | 107 | T515 | T515-Q517 PolarHBondContact O-N 3.4Š| ||
| 518 | S | 39.1 | Very low | 60.4 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -51.6 | 125.4 | 151.6 | 35.4 | 0 | 0 | 0 | 0 | 106.8 | E520 | S518-E520 PolarHBondContact O-N 2.67Š| ||
| 519 | P | 39.6 | Very low | 58.7 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | trans | -62.5 | 107.2 | 175.4 | 20.2 | -22.9 | 0 | 0 | 0 | 106.8 | S521 | P519-S521 VanDerWaalsContact C-N 3.26Å; P519-S521 PolarHBondContact O-N 3.18Å | ||
| 520 | E | 41.3 | Very low | 57 | Low | 180 Ų | 180 | 110.3 Ų | 110.3 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -55.8 | 100.4 | 157.1 | -76.9 | -172.7 | 162.5 | 0 | 0 | 105.9 | S518 G522 | S518-E520 PolarHBondContact O-N 2.67Å; E520-G522 VanDerWaalsContact C-N 3.27Å; E520-G522 PolarHBondContact O-N 3.03Å |
| 521 | S | 48.3 | Very low | 55.8 | Low | 127 Ų | 127 | 114.4 Ų | 114.4 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 34.9 | 55.9 | 163.5 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | P519 | P519-S521 VanDerWaalsContact C-N 3.26Å; P519-S521 PolarHBondContact O-N 3.18Å |
| 522 | G | 40.5 | Very low | 54.6 | Low | 54 Ų | 54 | 118.5 Ų | 118.5 | 56% | 0.557 | 70% | 0.696 | S | S | * | * | trans | -95.7 | 109.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | E520 | E520-G522 VanDerWaalsContact C-N 3.27Å; E520-G522 PolarHBondContact O-N 3.03Å | ||
| 523 | D | 41.8 | Very low | 54 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | trans | -37.2 | 130.3 | 173.5 | -157.5 | 18.9 | 0 | 0 | 0 | 111.9 | S525 | D523-S525 PolarHBondContact O-N 3.01Š| ||
| 524 | P | 43.1 | Very low | 53.7 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -75.9 | 34.2 | -169.9 | 31.4 | -34.7 | 0 | 0 | 0 | 113.8 | ||
| 525 | S | 46.4 | Very low | 53.4 | Low | 76 Ų | 76 | 119.9 Ų | 119.9 | 53% | 0.531 | 70% | 0.7 | S | S | . | * | trans | -105.8 | 44.7 | -175.3 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | D523 F527 | D523-S525 PolarHBondContact O-N 3.01Å; S525-F527 PolarHBondContact O-N 2.77Å; S525-F527 VanDerWaalsContact O-N 3.15Å | ||
| 526 | I | 47.1 | Very low | 53.7 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | trans | -87.2 | 43.1 | 167.2 | -44.4 | -178.5 | 0 | 0 | 0 | 110.8 | ||||
| 527 | F | 44.8 | Very low | 55.2 | Low | 200 Ų | 200 | 117 Ų | 117 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | trans | -133.7 | 77.8 | 152.9 | -83.5 | -77.5 | 0 | 0 | 0 | 106.3 | S525 S529 | S525-F527 PolarHBondContact O-N 2.77Å; S525-F527 VanDerWaalsContact O-N 3.15Å; F527-S529 PolarHBondContact O-N 2.82Å | ||
| 528 | S | 47.7 | Very low | 57.1 | Low | 119 Ų | 119 | 111.4 Ų | 111.4 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | trans | -74.4 | 73.8 | 172.6 | 60.6 | 0 | 0 | 0 | 0 | 110 | M530 | S528-M530 PolarHBondContact O-N 3.38Š| ||
| 529 | S | 57.3 | Low | 59.2 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.6 | 153.2 | 54.8 | 0 | 0 | 0 | 0 | 107.3 | F527 | F527-S529 PolarHBondContact O-N 2.82Š|
| 530 | M | 57.8 | Low | 61.2 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 56% | 0.557 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 129.1 | 169.6 | -91.2 | -162.4 | -45 | 0 | 0 | 108.5 | S528 L532 F535 | S528-M530 PolarHBondContact O-N 3.38Å; M530-L532 PolarHBondContact O-N 3.03Å; M530-F535 HydrophobicContact CE-CB 3.97Å; M530-F535 HydrophobicContact CE-CG 4.32Å; M530-F535 HydrophobicContact CE-CD2 3.68Å |
| 531 | P | 68.1 | Low | 63.3 | Low | 86 Ų | 86 | 103.8 Ų | 103.8 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 132.4 | 174.8 | -25.1 | 32.8 | 0 | 0 | 0 | 109.2 | G533 F534 F535 | P531-G533 PolarHBondContact O-N 2.93Å; P531-F534 WeakPolarHBondContact O-CA 3.39Å; P531-F534 WeakPolarHBondContact O-CB 3.32Å; P531-F534 PolarHBondContact O-N 3.4Å; P531-F535 PolarHBondContact O-N 3.44Å |
| 532 | L | 65.8 | Low | 65 | Low | 129 Ų | 129 | 104.2 Ų | 104.2 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -50.4 | -34.5 | -173.6 | -170.8 | 70.8 | 0 | 0 | 0 | 112.4 | M530 F535 I536 | M530-L532 PolarHBondContact O-N 3.03Å; L532-F535 PolarHBondContact O-N 3.47Å; L532-I536 WeakPolarHBondContact O-CG1 3.29Å; L532-I536 PolarHBondContact O-N 3.22Å; L532-I536 VanDerWaalsContact O-CG1 3.26Å; L532-I536 HydrophobicContact CG-CG1 4.46Å; L532-I536 HydrophobicContact CD2-CD1 4.33Å; L532-I536 HydrophobicContact CG-CD1 3.88Å |
| 533 | G | 74.3 | Confident | 67 | Low | 45 Ų | 45 | 107.4 Ų | 107.4 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.9 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | P531 I536 V537 | P531-G533 PolarHBondContact O-N 2.93Å; G533-I536 PolarHBondContact O-N 3.45Å; G533-V537 WeakPolarHBondContact O-CB 3.05Å; G533-V537 WeakPolarHBondContact O-CG2 3.49Å; G533-V537 PolarHBondContact O-N 3.48Å |
| 534 | F | 76.8 | Confident | 68.9 | Low | 150 Ų | 150 | 106.3 Ų | 106.3 | 66% | 0.658 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.9 | -36.3 | 176.8 | -96.8 | -82.9 | 0 | 0 | 0 | 112.3 | P531 S538 | P531-F534 WeakPolarHBondContact O-CA 3.39Å; P531-F534 WeakPolarHBondContact O-CB 3.32Å; P531-F534 PolarHBondContact O-N 3.4Å; F534-S538 VanDerWaalsContact O-CB 3.28Å; F534-S538 WeakPolarHBondContact O-CB 3.39Å; F534-S538 PolarHBondContact O-N 3Å; F534-S538 PolarHBondContact O-OG 3.22Å |
| 535 | F | 75.7 | Confident | 70.7 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -44.4 | 174.1 | 179.7 | -103.4 | 0 | 0 | 0 | 111.9 | M530 P531 L532 S538 S539 | M530-F535 HydrophobicContact CE-CB 3.97Å; M530-F535 HydrophobicContact CE-CG 4.32Å; M530-F535 HydrophobicContact CE-CD2 3.68Å; P531-F535 PolarHBondContact O-N 3.44Å; L532-F535 PolarHBondContact O-N 3.47Å; F535-S538 PolarHBondContact O-OG 2.67Å; F535-S538 VanDerWaalsContact O-OG 3.07Å; F535-S539 VanDerWaalsContact O-CB 3.25Å; F535-S539 PolarHBondContact O-OG 2.91Å; F535-S539 PolarHBondContact O-N 2.75Å; F535-S539 WeakPolarHBondContact O-CB 3.33Å |
| 536 | I | 78.8 | Confident | 72.3 | Confident | 84 Ų | 84 | 100.7 Ų | 100.7 | 43% | 0.431 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -45.9 | 178.8 | -68.3 | 169 | 0 | 0 | 0 | 110.8 | L532 G533 S539 M540 | L532-I536 WeakPolarHBondContact O-CG1 3.29Å; L532-I536 PolarHBondContact O-N 3.22Å; L532-I536 VanDerWaalsContact O-CG1 3.26Å; L532-I536 HydrophobicContact CG-CG1 4.46Å; L532-I536 HydrophobicContact CD2-CD1 4.33Å; L532-I536 HydrophobicContact CG-CD1 3.88Å; G533-I536 PolarHBondContact O-N 3.45Å; I536-S539 PolarHBondContact O-N 3.02Å; I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 PolarHBondContact O-N 3.48Å |
| 537 | V | 82.8 | Confident | 73.6 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -45.9 | -179 | 172 | 0 | 0 | 0 | 0 | 111.2 | G533 S539 M540 V541 | G533-V537 WeakPolarHBondContact O-CB 3.05Å; G533-V537 WeakPolarHBondContact O-CG2 3.49Å; G533-V537 PolarHBondContact O-N 3.48Å; V537-S539 VanDerWaalsContact C-N 3.32Å; V537-S539 PolarHBondContact O-N 3.2Å; V537-M540 PolarHBondContact O-N 3.45Å; V537-V541 WeakPolarHBondContact O-CG2 3.09Å; V537-V541 PolarHBondContact O-N 3.04Å; V537-V541 WeakPolarHBondContact O-CB 3.32Å; V537-V541 HydrophobicContact CG1-CG2 4.32Å; V537-V541 VanDerWaalsContact O-CG2 3.27Å |
| 538 | S | 82.1 | Confident | 75.2 | Confident | 46 Ų | 46 | 101 Ų | 101 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -38.8 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | F534 F535 V541 M542 | F534-S538 VanDerWaalsContact O-CB 3.28Å; F534-S538 WeakPolarHBondContact O-CB 3.39Å; F534-S538 PolarHBondContact O-N 3Å; F534-S538 PolarHBondContact O-OG 3.22Å; F535-S538 PolarHBondContact O-OG 2.67Å; F535-S538 VanDerWaalsContact O-OG 3.07Å; S538-V541 PolarHBondContact O-N 2.98Å; S538-M542 PolarHBondContact O-N 2.84Å |
| 539 | S | 82.4 | Confident | 76.7 | Confident | 34 Ų | 34 | 102.4 Ų | 102.4 | 24% | 0.238 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | F535 I536 V537 M542 L543 | F535-S539 VanDerWaalsContact O-CB 3.25Å; F535-S539 PolarHBondContact O-OG 2.91Å; F535-S539 PolarHBondContact O-N 2.75Å; F535-S539 WeakPolarHBondContact O-CB 3.33Å; I536-S539 PolarHBondContact O-N 3.02Å; V537-S539 VanDerWaalsContact C-N 3.32Å; V537-S539 PolarHBondContact O-N 3.2Å; S539-M542 PolarHBondContact O-N 3.09Å; S539-L543 WeakPolarHBondContact O-CB 3.21Å; S539-L543 WeakPolarHBondContact O-CG 3.34Å; S539-L543 PolarHBondContact O-N 3.39Å |
| 540 | M | 82.4 | Confident | 77.7 | Confident | 109 Ų | 109 | 100.4 Ų | 100.4 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.7 | -84.6 | -168.4 | 75 | 0 | 0 | 112.2 | I536 V537 M542 L543 I544 | I536-M540 WeakPolarHBondContact O-CB 3.38Å; I536-M540 PolarHBondContact O-N 3.48Å; V537-M540 PolarHBondContact O-N 3.45Å; M540-M542 VanDerWaalsContact C-N 3.34Å; M540-M542 PolarHBondContact O-N 3.28Å; M540-L543 PolarHBondContact O-N 3.26Å; M540-I544 PolarHBondContact O-N 3.43Å; M540-I544 WeakPolarHBondContact O-CG1 3.32Å; M540-I544 WeakPolarHBondContact O-CB 3.45Å |
| 541 | V | 86.5 | Confident | 78.1 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V537 S538 I544 G545 | V537-V541 WeakPolarHBondContact O-CG2 3.09Å; V537-V541 PolarHBondContact O-N 3.04Å; V537-V541 WeakPolarHBondContact O-CB 3.32Å; V537-V541 HydrophobicContact CG1-CG2 4.32Å; V537-V541 VanDerWaalsContact O-CG2 3.27Å; S538-V541 PolarHBondContact O-N 2.98Å; V541-I544 PolarHBondContact O-N 2.92Å; V541-G545 PolarHBondContact O-N 3.34Å |
| 542 | M | 83.5 | Confident | 77.6 | Confident | 137 Ų | 137 | 100.3 Ų | 100.3 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 173.4 | -82 | -159.4 | -78.6 | 0 | 0 | 112.5 | S538 S539 M540 G545 A546 | S538-M542 PolarHBondContact O-N 2.84Å; S539-M542 PolarHBondContact O-N 3.09Å; M540-M542 VanDerWaalsContact C-N 3.34Å; M540-M542 PolarHBondContact O-N 3.28Å; M542-G545 PolarHBondContact O-N 2.81Å; M542-A546 VanDerWaalsContact O-CB 3.3Å; M542-A546 WeakPolarHBondContact O-CB 3.44Å; M542-A546 PolarHBondContact O-N 3.03Å |
| 543 | L | 81.8 | Confident | 77.3 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.9 | -40.2 | 176.8 | -77 | 164.7 | 0 | 0 | 0 | 112.2 | S539 M540 A546 R547 | S539-L543 WeakPolarHBondContact O-CB 3.21Å; S539-L543 WeakPolarHBondContact O-CG 3.34Å; S539-L543 PolarHBondContact O-N 3.39Å; M540-L543 PolarHBondContact O-N 3.26Å; L543-A546 PolarHBondContact O-N 3.23Å; L543-R547 WeakPolarHBondContact O-CB 3.32Å; L543-R547 PolarHBondContact O-N 3.39Å |
| 544 | I | 82.1 | Confident | 77.5 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -43.9 | 175.6 | -68.5 | 164.9 | 0 | 0 | 0 | 110.4 | M540 V541 R547 Y548 | M540-I544 PolarHBondContact O-N 3.43Å; M540-I544 WeakPolarHBondContact O-CG1 3.32Å; M540-I544 WeakPolarHBondContact O-CB 3.45Å; V541-I544 PolarHBondContact O-N 2.92Å; I544-R547 WeakPolarHBondContact O-CB 3.43Å; I544-R547 PolarHBondContact O-N 3.39Å; I544-Y548 WeakPolarHBondContact O-CB 3.4Å; I544-Y548 PolarHBondContact O-N 3.18Å |
| 545 | G | 81.3 | Confident | 77.5 | Confident | 29 Ų | 29 | 102.9 Ų | 102.9 | 30% | 0.299 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.5 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V541 M542 R547 Y548 I549 | V541-G545 PolarHBondContact O-N 3.34Å; M542-G545 PolarHBondContact O-N 2.81Å; G545-R547 VanDerWaalsContact C-N 3.32Å; G545-R547 PolarHBondContact O-N 3.5Å; G545-Y548 PolarHBondContact O-N 3.2Å; G545-I549 VanDerWaalsContact O-CG1 3.26Å; G545-I549 WeakPolarHBondContact O-CG1 3.25Å; G545-I549 PolarHBondContact O-N 2.98Å |
| 546 | A | 79.3 | Confident | 77.6 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M542 L543 I549 S550 | M542-A546 VanDerWaalsContact O-CB 3.3Å; M542-A546 WeakPolarHBondContact O-CB 3.44Å; M542-A546 PolarHBondContact O-N 3.03Å; L543-A546 PolarHBondContact O-N 3.23Å; A546-I549 PolarHBondContact O-N 2.74Å; A546-S550 WeakPolarHBondContact O-CB 3.44Å; A546-S550 PolarHBondContact O-OG 3.09Å; A546-S550 PolarHBondContact O-N 3.08Å; A546-S550 VanDerWaalsContact O-CB 3.32Å |
| 547 | R | 75.3 | Confident | 77.6 | Confident | 158 Ų | 158 | 103.6 Ų | 103.6 | 60% | 0.596 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.2 | -42.5 | 174.1 | -123.3 | 178.3 | 159.8 | 172 | -8.1 | 112.4 | L543 I544 G545 I549 S550 G551 | L543-R547 WeakPolarHBondContact O-CB 3.32Å; L543-R547 PolarHBondContact O-N 3.39Å; I544-R547 WeakPolarHBondContact O-CB 3.43Å; I544-R547 PolarHBondContact O-N 3.39Å; G545-R547 VanDerWaalsContact C-N 3.32Å; G545-R547 PolarHBondContact O-N 3.5Å; R547-I549 PolarHBondContact O-N 3.42Å; R547-S550 WeakPolarHBondContact CA-OG 3.17Å; R547-S550 PolarHBondContact O-N 3.05Å; R547-S550 PolarHBondContact O-OG 2.83Å; R547-G551 PolarHBondContact O-N 3.26Å |
| 548 | Y | 77.3 | Confident | 77.2 | Confident | 206 Ų | 206 | 104.6 Ų | 104.6 | 81% | 0.808 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -38.5 | 177.7 | -166.3 | -95.1 | 0 | 0 | 0 | 112.2 | I544 G545 | I544-Y548 WeakPolarHBondContact O-CB 3.4Å; I544-Y548 PolarHBondContact O-N 3.18Å; G545-Y548 PolarHBondContact O-N 3.2Å |
| 549 | I | 80.4 | Confident | 76.9 | Confident | 148 Ų | 148 | 108.5 Ų | 108.5 | 76% | 0.759 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 178.8 | -66.3 | 167.2 | 0 | 0 | 0 | 112 | G545 A546 R547 G551 | G545-I549 VanDerWaalsContact O-CG1 3.26Å; G545-I549 WeakPolarHBondContact O-CG1 3.25Å; G545-I549 PolarHBondContact O-N 2.98Å; A546-I549 PolarHBondContact O-N 2.74Å; R547-I549 PolarHBondContact O-N 3.42Å; I549-G551 VanDerWaalsContact C-N 3.34Å |
| 550 | S | 76.8 | Confident | 76.5 | Confident | 61 Ų | 61 | 113.8 Ų | 113.8 | 43% | 0.427 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -82.6 | -5.6 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | A546 R547 M552 | A546-S550 WeakPolarHBondContact O-CB 3.44Å; A546-S550 PolarHBondContact O-OG 3.09Å; A546-S550 PolarHBondContact O-N 3.08Å; A546-S550 VanDerWaalsContact O-CB 3.32Å; R547-S550 WeakPolarHBondContact CA-OG 3.17Å; R547-S550 PolarHBondContact O-N 3.05Å; R547-S550 PolarHBondContact O-OG 2.83Å; S550-M552 PolarHBondContact O-N 3.5Å; S550-M552 VanDerWaalsContact O-N 3.09Å |
| 551 | G | 66.1 | Low | 76.1 | Confident | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | 18.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | R547 I549 | R547-G551 PolarHBondContact O-N 3.26Å; I549-G551 VanDerWaalsContact C-N 3.34Å |
| 552 | M | 59.1 | Low | 75.2 | Confident | 128 Ų | 128 | 115.9 Ų | 115.9 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | trans | -89.8 | 130.1 | 174.5 | -74 | -173.1 | -87.9 | 0 | 0 | 109.6 | S550 | S550-M552 PolarHBondContact O-N 3.5Å; S550-M552 VanDerWaalsContact O-N 3.09Å | ||
| 553 | P | 59.5 | Low | 74.4 | Confident | 172 Ų | 172 | 114 Ų | 114 | 100% | 1.117 | 64% | 0.635 | S | S | * | * | trans | -60.4 | 0 | 178.6 | 22.3 | -30 | 0 | 0 | 0 | 114.3 |
Retrieved 553 of 553 residues in 483 ms
(Link to these results)