| 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 | 44.1 | Very low | 59.3 | Low | 225 Ų | 225 | 141.2 Ų | 141.2 | 100% | 1.108 | 68% | 0.678 | S | S | * | * | 0 | 117.1 | 0 | -76.1 | 172.7 | 175.1 | 0 | 0 | 108.2 | Y3 | M1-Y3 PolarHBondContact O-N 3.12Š| |||
| 2 | R | 43.3 | Very low | 60.5 | Low | 250 Ų | 250 | 138.3 Ų | 138.3 | 94% | 0.943 | 67% | 0.668 | S | S | * | * | trans | -75.3 | 103.3 | 169.2 | -74.3 | -177.9 | 175.7 | 178.7 | -1.1 | 106.7 | T4 | R2-T4 PolarHBondContact O-N 3.13Å; R2-T4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | Y | 51.5 | Low | 61.5 | Low | 199 Ų | 199 | 133.2 Ų | 133.2 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | trans | -74.8 | 98.1 | 174.1 | -111.7 | -90.5 | 0 | 0 | 0 | 108.1 | M1 F5 | M1-Y3 PolarHBondContact O-N 3.12Å; Y3-F5 PolarHBondContact O-N 2.81Å | ||
| 4 | T | 48.2 | Very low | 62.2 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | trans | -75 | 108.6 | 162.3 | 42.6 | 0 | 0 | 0 | 0 | 106.9 | R2 S6 | R2-T4 PolarHBondContact O-N 3.13Å; R2-T4 VanDerWaalsContact O-N 3.13Å; T4-S6 PolarHBondContact O-N 3.35Å; T4-S6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | F | 51 | Low | 62.8 | Low | 141 Ų | 141 | 132.9 Ų | 132.9 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | trans | -55.3 | 122.4 | 170.4 | -82.4 | -87.4 | 0 | 0 | 0 | 108.3 | Y3 Y9 L10 | Y3-F5 PolarHBondContact O-N 2.81Å; F5-Y9 HydrophobicContact CD1-CG 4.48Å; F5-L10 HydrophobicContact CB-CG 4.37Å | ||
| 6 | S | 63.2 | Low | 63.1 | Low | 60 Ų | 60 | 128.5 Ų | 128.5 | 42% | 0.42 | 63% | 0.625 | S | S | . | * | trans | -56.2 | 141.9 | 171.8 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | T4 D8 Y9 | T4-S6 PolarHBondContact O-N 3.35Å; T4-S6 VanDerWaalsContact O-N 3.16Å; S6-D8 PolarHBondContact O-N 3.19Å; S6-Y9 PolarHBondContact O-N 3.07Å | ||
| 7 | S | 71.5 | Confident | 63.4 | Low | 81 Ų | 81 | 125.8 Ų | 125.8 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -40.9 | -39.5 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 112.7 | Y9 L10 M11 | S7-Y9 VanDerWaalsContact C-N 3.33Å; S7-Y9 PolarHBondContact O-N 3.15Å; S7-L10 PolarHBondContact O-N 3.22Å; S7-M11 WeakPolarHBondContact O-CG 3.45Å; S7-M11 PolarHBondContact O-N 3.15Å |
| 8 | D | 69.2 | Low | 63.2 | Low | 117 Ų | 117 | 122.2 Ų | 122.2 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.7 | -35.3 | -177.8 | -52.7 | -34.3 | 0 | 0 | 0 | 113.2 | S6 L12 | S6-D8 PolarHBondContact O-N 3.19Å; D8-L12 PolarHBondContact O-N 3.47Å |
| 9 | Y | 67.9 | Low | 62.7 | Low | 149 Ų | 149 | 118.1 Ų | 118.1 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.7 | -37.8 | 177 | -83 | -83.8 | 0 | 0 | 0 | 112 | F5 S6 S7 L12 V13 | F5-Y9 HydrophobicContact CD1-CG 4.48Å; S6-Y9 PolarHBondContact O-N 3.07Å; S7-Y9 VanDerWaalsContact C-N 3.33Å; S7-Y9 PolarHBondContact O-N 3.15Å; Y9-L12 PolarHBondContact O-N 3.48Å; Y9-V13 VanDerWaalsContact O-CG2 3.27Å; Y9-V13 WeakPolarHBondContact O-CG2 3.19Å; Y9-V13 PolarHBondContact O-N 2.87Å |
| 10 | L | 72.2 | Confident | 62.3 | Low | 86 Ų | 86 | 114.7 Ų | 114.7 | 45% | 0.45 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.5 | -44.8 | 175.3 | -71.9 | 172.5 | 0 | 0 | 0 | 110.4 | F5 S7 L12 V13 Y14 | F5-L10 HydrophobicContact CB-CG 4.37Å; S7-L10 PolarHBondContact O-N 3.22Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.05Å; L10-V13 PolarHBondContact O-N 2.88Å; L10-Y14 HydrophobicContact CB-CD2 4.45Å; L10-Y14 HydrophobicContact CB-CE2 4.41Å; L10-Y14 WeakPolarHBondContact O-CD2 3.4Å; L10-Y14 PolarHBondContact O-N 2.82Å |
| 11 | M | 70 | Confident | 62 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.4 | -42 | 176.1 | -68.9 | -59.6 | -68.9 | 0 | 0 | 112.1 | S7 Y14 L15 | S7-M11 WeakPolarHBondContact O-CG 3.45Å; S7-M11 PolarHBondContact O-N 3.15Å; M11-Y14 PolarHBondContact O-N 2.96Å; M11-L15 WeakPolarHBondContact O-CB 3.48Å; M11-L15 PolarHBondContact O-N 2.99Å |
| 12 | L | 74.1 | Confident | 62.4 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 175.2 | -167 | 99.9 | 0 | 0 | 0 | 111.7 | D8 Y9 L10 L15 V16 | D8-L12 PolarHBondContact O-N 3.47Å; Y9-L12 PolarHBondContact O-N 3.48Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.05Å; L12-L15 WeakPolarHBondContact O-CB 3.26Å; L12-L15 PolarHBondContact O-N 2.7Å; L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.43Å |
| 13 | V | 72.9 | Confident | 62.8 | Low | 73 Ų | 73 | 99.4 Ų | 99.4 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | Y9 L10 L15 V16 I17 | Y9-V13 VanDerWaalsContact O-CG2 3.27Å; Y9-V13 WeakPolarHBondContact O-CG2 3.19Å; Y9-V13 PolarHBondContact O-N 2.87Å; L10-V13 PolarHBondContact O-N 2.88Å; V13-L15 PolarHBondContact O-N 3.15Å; V13-V16 PolarHBondContact O-N 2.97Å; V13-I17 HydrophobicContact CG1-CD1 3.64Å; V13-I17 HydrophobicContact CG1-CG1 4.32Å; V13-I17 WeakPolarHBondContact O-CB 3.06Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.38Å; V13-I17 PolarHBondContact O-N 2.91Å |
| 14 | Y | 71.6 | Confident | 62.8 | Low | 157 Ų | 157 | 97.4 Ų | 97.4 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 175.5 | -80.7 | -65.5 | 0 | 0 | 0 | 112.4 | L10 M11 I17 S18 | L10-Y14 HydrophobicContact CB-CD2 4.45Å; L10-Y14 HydrophobicContact CB-CE2 4.41Å; L10-Y14 WeakPolarHBondContact O-CD2 3.4Å; L10-Y14 PolarHBondContact O-N 2.82Å; M11-Y14 PolarHBondContact O-N 2.96Å; Y14-I17 PolarHBondContact O-N 2.89Å; Y14-S18 VanDerWaalsContact O-CB 3.25Å; Y14-S18 WeakPolarHBondContact O-CB 3.49Å; Y14-S18 PolarHBondContact O-N 3.05Å |
| 15 | L | 71.2 | Confident | 63.1 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 173.5 | -109.9 | 154.2 | 0 | 0 | 0 | 110.8 | M11 L12 V13 S18 L19 | M11-L15 WeakPolarHBondContact O-CB 3.48Å; M11-L15 PolarHBondContact O-N 2.99Å; L12-L15 WeakPolarHBondContact O-CB 3.26Å; L12-L15 PolarHBondContact O-N 2.7Å; V13-L15 PolarHBondContact O-N 3.15Å; L15-S18 PolarHBondContact O-N 2.84Å; L15-L19 HydrophobicContact CD2-CD1 3.69Å; L15-L19 HydrophobicContact CD2-CG 4.38Å; L15-L19 WeakPolarHBondContact O-CB 3.21Å; L15-L19 VanDerWaalsContact O-CD1 3.28Å; L15-L19 WeakPolarHBondContact O-CD1 3.12Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.88Å |
| 16 | V | 67.9 | Low | 63.5 | Low | 62 Ų | 62 | 90.7 Ų | 90.7 | 38% | 0.376 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L12 V13 L19 T20 | L12-V16 VanDerWaalsContact O-CG2 3.26Å; L12-V16 WeakPolarHBondContact O-CG2 3.41Å; L12-V16 PolarHBondContact O-N 3.43Å; V13-V16 PolarHBondContact O-N 2.97Å; V16-L19 PolarHBondContact O-N 2.92Å; V16-T20 HydrophobicContact CG1-CG2 4.38Å; V16-T20 WeakPolarHBondContact O-CG2 3.5Å; V16-T20 PolarHBondContact O-N 3.42Å; V16-T20 PolarHBondContact O-OG1 3.11Å; V16-T20 VanDerWaalsContact O-OG1 3.14Å |
| 17 | I | 67.6 | Low | 63.2 | Low | 82 Ų | 82 | 90.2 Ų | 90.2 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | 178.7 | -68.4 | 168.1 | 0 | 0 | 0 | 111.5 | V13 Y14 L19 T20 L21 | V13-I17 HydrophobicContact CG1-CD1 3.64Å; V13-I17 HydrophobicContact CG1-CG1 4.32Å; V13-I17 WeakPolarHBondContact O-CB 3.06Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.38Å; V13-I17 PolarHBondContact O-N 2.91Å; Y14-I17 PolarHBondContact O-N 2.89Å; I17-L19 PolarHBondContact O-N 3.44Å; I17-T20 WeakPolarHBondContact CA-OG1 3.32Å; I17-T20 PolarHBondContact O-N 2.78Å; I17-T20 PolarHBondContact O-OG1 3.13Å; I17-L21 HydrophobicContact CG2-CD1 3.67Å; I17-L21 WeakPolarHBondContact O-CB 3.05Å; I17-L21 WeakPolarHBondContact O-CD1 3.19Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.29Å |
| 18 | S | 60.2 | Low | 62.7 | Low | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 178.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | Y14 L15 K22 | Y14-S18 VanDerWaalsContact O-CB 3.25Å; Y14-S18 WeakPolarHBondContact O-CB 3.49Å; Y14-S18 PolarHBondContact O-N 3.05Å; L15-S18 PolarHBondContact O-N 2.84Å; S18-K22 WeakPolarHBondContact O-CG 3.25Å; S18-K22 PolarHBondContact O-N 3.36Å |
| 19 | L | 53.7 | Low | 62.6 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 23% | 0.23 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -76 | -41.6 | 179.3 | -73.1 | 168.7 | 0 | 0 | 0 | 112.7 | L15 V16 I17 K22 F23 W328 | L15-L19 HydrophobicContact CD2-CD1 3.69Å; L15-L19 HydrophobicContact CD2-CG 4.38Å; L15-L19 WeakPolarHBondContact O-CB 3.21Å; L15-L19 VanDerWaalsContact O-CD1 3.28Å; L15-L19 WeakPolarHBondContact O-CD1 3.12Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.88Å; V16-L19 PolarHBondContact O-N 2.92Å; I17-L19 PolarHBondContact O-N 3.44Å; L19-K22 PolarHBondContact O-N 3.49Å; L19-F23 WeakPolarHBondContact O-CD2 2.91Å; L19-F23 PolarHBondContact O-N 2.78Å; L19-F23 VanDerWaalsContact O-N 3.16Å; L19-W328 HydrophobicContact CD1-CZ2 3.72Å; L19-W328 HydrophobicContact CD2-CZ2 3.57Å; L19-W328 HydrophobicContact CG-CZ2 4.22Å |
| 20 | T | 54.1 | Low | 62.8 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 31% | 0.307 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.3 | 53 | 0 | 0 | 0 | 0 | 111.2 | V16 I17 K22 F23 F24 | V16-T20 HydrophobicContact CG1-CG2 4.38Å; V16-T20 WeakPolarHBondContact O-CG2 3.5Å; V16-T20 PolarHBondContact O-N 3.42Å; V16-T20 PolarHBondContact O-OG1 3.11Å; V16-T20 VanDerWaalsContact O-OG1 3.14Å; I17-T20 WeakPolarHBondContact CA-OG1 3.32Å; I17-T20 PolarHBondContact O-N 2.78Å; I17-T20 PolarHBondContact O-OG1 3.13Å; T20-K22 VanDerWaalsContact C-N 3.34Å; T20-K22 PolarHBondContact O-N 3.4Å; T20-F23 PolarHBondContact O-N 2.83Å; T20-F23 VanDerWaalsContact O-N 3.07Å; T20-F24 VanDerWaalsContact O-CD2 3.26Å; T20-F24 WeakPolarHBondContact O-CD2 2.9Å; T20-F24 PolarHBondContact O-N 2.85Å |
| 21 | L | 56.2 | Low | 62.7 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 52% | 0.518 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | 173.6 | -82.6 | 156.5 | 0 | 0 | 0 | 112 | I17 F23 N25 | I17-L21 HydrophobicContact CG2-CD1 3.67Å; I17-L21 WeakPolarHBondContact O-CB 3.05Å; I17-L21 WeakPolarHBondContact O-CD1 3.19Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.29Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.36Å; L21-N25 WeakPolarHBondContact O-CB 3.26Å; L21-N25 PolarHBondContact O-N 3.38Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.21Å |
| 22 | K | 53.3 | Low | 62.5 | Low | 137 Ų | 137 | 80.1 Ų | 80.1 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.4 | -34.6 | 175.5 | -77.7 | -178.7 | 179 | -179.2 | 0 | 113.1 | S18 L19 T20 C26 | S18-K22 WeakPolarHBondContact O-CG 3.25Å; S18-K22 PolarHBondContact O-N 3.36Å; L19-K22 PolarHBondContact O-N 3.49Å; T20-K22 VanDerWaalsContact C-N 3.34Å; T20-K22 PolarHBondContact O-N 3.4Å; K22-C26 PolarHBondContact O-N 2.99Å |
| 23 | F | 50.4 | Low | 62.1 | Low | 34 Ų | 34 | 75.4 Ų | 75.4 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.4 | -47.6 | 178.6 | -92.8 | -71.4 | 0 | 0 | 0 | 113.5 | L19 T20 L21 N25 C26 Q27 W328 R331 K332 | L19-F23 WeakPolarHBondContact O-CD2 2.91Å; L19-F23 PolarHBondContact O-N 2.78Å; L19-F23 VanDerWaalsContact O-N 3.16Å; T20-F23 PolarHBondContact O-N 2.83Å; T20-F23 VanDerWaalsContact O-N 3.07Å; L21-F23 VanDerWaalsContact C-N 3.3Å; L21-F23 PolarHBondContact O-N 3.36Å; F23-N25 PolarHBondContact O-N 3.28Å; F23-C26 PolarHBondContact O-N 2.83Å; F23-C26 VanDerWaalsContact O-N 3.11Å; F23-Q27 PolarHBondContact O-N 3.23Å; F23-W328 AromaticContact CD2-CD1 3.57Å; F23-W328 AromaticContact CD2-NE1 3.97Å; F23-W328 AromaticContact CE2-CD1 3.12Å; F23-W328 AromaticContact CE2-CG 3.88Å; F23-W328 HydrophobicContact CE2-CG 3.88Å; F23-W328 AromaticContact CE2-NE1 3.36Å; F23-R331 HydrophobicContact CD1-CB 3.87Å; F23-R331 VanDerWaalsContact CE1-C 3.48Å; F23-R331 HydrophobicContact CE1-CB 3.19Å; F23-R331 HydrophobicContact CE1-CG 4.42Å; F23-R331 HydrophobicContact CZ-CB 3.78Å; F23-K332 HydrophobicContact CZ-CB 3.96Å |
| 24 | F | 51.6 | Low | 61.9 | Low | 156 Ų | 156 | 76 Ų | 76 | 68% | 0.684 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59 | -37.1 | 176 | -80 | -73.2 | 0 | 0 | 0 | 111 | T20 C26 H28 | T20-F24 VanDerWaalsContact O-CD2 3.26Å; T20-F24 WeakPolarHBondContact O-CD2 2.9Å; T20-F24 PolarHBondContact O-N 2.85Å; F24-C26 PolarHBondContact O-N 3.11Å; F24-H28 WeakPolarHBondContact O-CB 3.45Å; F24-H28 PolarHBondContact O-N 3.19Å |
| 25 | N | 54.3 | Low | 61.7 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 175 | -75.2 | -7.5 | 0 | 0 | 0 | 113.1 | L21 F23 H28 V29 | L21-N25 WeakPolarHBondContact O-CB 3.26Å; L21-N25 PolarHBondContact O-N 3.38Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.21Å; F23-N25 PolarHBondContact O-N 3.28Å; N25-H28 PolarHBondContact O-N 3.06Å; N25-V29 WeakPolarHBondContact O-CB 3.49Å; N25-V29 WeakPolarHBondContact O-CG2 3.5Å; N25-V29 PolarHBondContact O-N 2.95Å |
| 26 | C | 60.2 | Low | 61.9 | Low | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | -178.5 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | K22 F23 F24 C30 | K22-C26 PolarHBondContact O-N 2.99Å; F23-C26 PolarHBondContact O-N 2.83Å; F23-C26 VanDerWaalsContact O-N 3.11Å; F24-C26 PolarHBondContact O-N 3.11Å; C26-C30 WeakPolarHBondContact O-CB 3.27Å; C26-C30 PolarHBondContact O-N 3.25Å; C26-C30 PolarHBondContact O-SG 2.82Å; C26-C30 VanDerWaalsContact O-SG 3.4Å |
| 27 | Q | 57.9 | Low | 62.3 | Low | 49 Ų | 49 | 67.7 Ų | 67.7 | 23% | 0.229 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 178.2 | -175.4 | 58.9 | 26.2 | 0 | 0 | 111.3 | F23 V29 C30 D31 | F23-Q27 PolarHBondContact O-N 3.23Å; Q27-V29 PolarHBondContact O-N 2.81Å; Q27-C30 WeakPolarHBondContact O-CB 3.32Å; Q27-C30 PolarHBondContact O-N 3.15Å; Q27-C30 VanDerWaalsContact O-N 3.15Å; Q27-D31 PolarHBondContact NE2-OD1 2.79Å; Q27-D31 PolarHBondContact NE2-OD2 2.89Å; Q27-D31 PolarHBondContact O-N 3.23Å |
| 28 | H | 61.1 | Low | 62.9 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.7 | -169.5 | -83.4 | 0 | 0 | 0 | 111.8 | F24 N25 C30 D31 E32 | F24-H28 WeakPolarHBondContact O-CB 3.45Å; F24-H28 PolarHBondContact O-N 3.19Å; N25-H28 PolarHBondContact O-N 3.06Å; H28-C30 VanDerWaalsContact C-N 3.28Å; H28-C30 PolarHBondContact O-N 2.88Å; H28-D31 PolarHBondContact O-N 3.13Å; H28-D31 VanDerWaalsContact O-N 3.09Å; H28-E32 IonicContact CE1-OE2 3.05Å; H28-E32 PolarHBondContact CE1-OE2 2.82Å; H28-E32 IonicContact ND1-OE2 3.92Å; H28-E32 PolarHBondContact ND1-OE2 2.97Å; H28-E32 WeakPolarHBondContact O-CB 3.36Å; H28-E32 PolarHBondContact O-N 3.05Å |
| 29 | V | 66.4 | Low | 64.2 | Low | 44 Ų | 44 | 70.4 Ų | 70.4 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.3 | -47.3 | 175 | 167 | 0 | 0 | 0 | 0 | 109.6 | N25 Q27 D31 I33 Y54 L190 | N25-V29 WeakPolarHBondContact O-CB 3.49Å; N25-V29 WeakPolarHBondContact O-CG2 3.5Å; N25-V29 PolarHBondContact O-N 2.95Å; Q27-V29 PolarHBondContact O-N 2.81Å; V29-D31 VanDerWaalsContact C-N 3.33Å; V29-D31 PolarHBondContact O-N 2.85Å; V29-I33 HydrophobicContact CB-CD1 4.48Å; V29-I33 HydrophobicContact CG1-CD1 3.41Å; V29-I33 VanDerWaalsContact CG1-CD1 3.41Å; V29-I33 HydrophobicContact CG1-CG1 4.39Å; V29-I33 WeakPolarHBondContact O-CB 3.49Å; V29-I33 WeakPolarHBondContact O-CD1 3.43Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3Å; V29-Y54 HydrophobicContact CG1-CE2 4.35Å; V29-L190 HydrophobicContact CG1-CD2 4.42Å |
| 30 | C | 72.6 | Confident | 65.9 | Low | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.3 | -31.3 | 178.2 | -80.6 | 0 | 0 | 0 | 0 | 114.1 | C26 Q27 H28 C192 R197 | C26-C30 WeakPolarHBondContact O-CB 3.27Å; C26-C30 PolarHBondContact O-N 3.25Å; C26-C30 PolarHBondContact O-SG 2.82Å; C26-C30 VanDerWaalsContact O-SG 3.4Å; Q27-C30 WeakPolarHBondContact O-CB 3.32Å; Q27-C30 PolarHBondContact O-N 3.15Å; Q27-C30 VanDerWaalsContact O-N 3.15Å; H28-C30 VanDerWaalsContact C-N 3.28Å; H28-C30 PolarHBondContact O-N 2.88Å; C30-C192 HydrophobicContact CB-CB 4.03Å; C30-C192 WeakPolarHBondContact CB-SG 3.41Å; C30-C192 VanDerWaalsContact SG-CA 3.52Å; C30-C192 WeakPolarHBondContact SG-CB 3.49Å; C30-C192 CovalentContact SG-SG 2.05Å; C30-C192 PolarHBondContact SG-SG 3.08Å; C30-R197 VanDerWaalsContact C-NH1 3.3Å; C30-R197 PolarHBondContact O-NH1 3.41Å; C30-R197 PolarHBondContact O-NH2 2.87Å |
| 31 | D | 69.5 | Low | 67.7 | Low | 82 Ų | 82 | 74.5 Ų | 74.5 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -89.4 | -33.9 | -177.7 | -66.2 | -27.8 | 0 | 0 | 0 | 112.7 | Q27 H28 V29 | Q27-D31 PolarHBondContact NE2-OD1 2.79Å; Q27-D31 PolarHBondContact NE2-OD2 2.89Å; Q27-D31 PolarHBondContact O-N 3.23Å; H28-D31 PolarHBondContact O-N 3.13Å; H28-D31 VanDerWaalsContact O-N 3.09Å; V29-D31 VanDerWaalsContact C-N 3.33Å; V29-D31 PolarHBondContact O-N 2.85Å |
| 32 | E | 65.9 | Low | 69.4 | Low | 102 Ų | 102 | 70.5 Ų | 70.5 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74 | -26.2 | 179.2 | -165.2 | 175.5 | -166.2 | 0 | 0 | 113 | H28 D34 | H28-E32 IonicContact CE1-OE2 3.05Å; H28-E32 PolarHBondContact CE1-OE2 2.82Å; H28-E32 IonicContact ND1-OE2 3.92Å; H28-E32 PolarHBondContact ND1-OE2 2.97Å; H28-E32 WeakPolarHBondContact O-CB 3.36Å; H28-E32 PolarHBondContact O-N 3.05Å; E32-D34 VanDerWaalsContact C-N 3.35Å; E32-D34 PolarHBondContact O-N 2.89Å |
| 33 | I | 65.5 | Low | 71.2 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.9 | -174.5 | -82.2 | 171.5 | 0 | 0 | 0 | 114.4 | V29 S35 L36 T37 Y54 L190 L199 | V29-I33 HydrophobicContact CB-CD1 4.48Å; V29-I33 HydrophobicContact CG1-CD1 3.41Å; V29-I33 VanDerWaalsContact CG1-CD1 3.41Å; V29-I33 HydrophobicContact CG1-CG1 4.39Å; V29-I33 WeakPolarHBondContact O-CB 3.49Å; V29-I33 WeakPolarHBondContact O-CD1 3.43Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3Å; I33-S35 PolarHBondContact O-N 3.1Å; I33-L36 CarbonylContact O-C 3.55Å; I33-L36 WeakPolarHBondContact O-CA 3.35Å; I33-L36 PolarHBondContact O-N 3.03Å; I33-T37 HydrophobicContact CG2-CG2 3.2Å; I33-T37 WeakPolarHBondContact O-CG2 3.2Å; I33-T37 PolarHBondContact O-N 2.88Å; I33-Y54 HydrophobicContact CB-CD2 4.49Å; I33-Y54 HydrophobicContact CD1-CD1 4.13Å; I33-Y54 HydrophobicContact CD1-CD2 3.3Å; I33-Y54 HydrophobicContact CD1-CE1 3.93Å; I33-Y54 HydrophobicContact CD1-CE2 3.06Å; I33-Y54 HydrophobicContact CD1-CG 3.81Å; I33-Y54 HydrophobicContact CG1-CD2 3.33Å; I33-Y54 HydrophobicContact CG1-CE2 3.58Å; I33-Y54 HydrophobicContact CG1-CG 3.94Å; I33-Y54 HydrophobicContact CG2-CD2 4.43Å; I33-Y54 HydrophobicContact CG2-CG 4.2Å; I33-L190 HydrophobicContact CD1-CD2 3.52Å; I33-L199 HydrophobicContact CG2-CD2 4.42Å |
| 34 | D | 68.4 | Low | 73.3 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.4 | -34.9 | -169.7 | -82.1 | -6.6 | 0 | 0 | 0 | 112.4 | E32 T37 R197 | E32-D34 VanDerWaalsContact C-N 3.35Å; E32-D34 PolarHBondContact O-N 2.89Å; D34-T37 PolarHBondContact O-OG1 2.85Å; D34-R197 IonicContact OD1-CZ 3.36Å; D34-R197 IonicContact OD1-NE 3.79Å; D34-R197 IonicContact OD1-NH2 3.72Å; D34-R197 PolarHBondContact OD1-NH2 3.48Å; D34-R197 IonicContact OD2-NH2 3.77Å |
| 35 | S | 68.7 | Low | 75.2 | Confident | 85 Ų | 85 | 64 Ų | 64 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.9 | -44.2 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 113 | I33 K38 | I33-S35 PolarHBondContact O-N 3.1Å; S35-K38 PolarHBondContact O-N 3.22Å |
| 36 | L | 74.8 | Confident | 76.9 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.7 | -16.6 | -177.9 | -67 | -179.8 | 0 | 0 | 0 | 113.4 | I33 K38 G39 Q52 Y53 Y54 | I33-L36 CarbonylContact O-C 3.55Å; I33-L36 WeakPolarHBondContact O-CA 3.35Å; I33-L36 PolarHBondContact O-N 3.03Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-G39 PolarHBondContact O-N 3.09Å; L36-Q52 HydrophobicContact CD2-CB 4.44Å; L36-Q52 HydrophobicContact CD2-CG 3.89Å; L36-Y53 CarbonylContact O-C 3.59Å; L36-Y53 WeakPolarHBondContact O-CA 3.42Å; L36-Y54 PolarHBondContact O-N 3.14Å |
| 37 | T | 76 | Confident | 78.4 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 171.1 | 61 | 0 | 0 | 0 | 0 | 112.6 | I33 D34 G39 L199 | I33-T37 HydrophobicContact CG2-CG2 3.2Å; I33-T37 WeakPolarHBondContact O-CG2 3.2Å; I33-T37 PolarHBondContact O-N 2.88Å; D34-T37 PolarHBondContact O-OG1 2.85Å; T37-G39 VanDerWaalsContact C-N 3.34Å; T37-L199 HydrophobicContact CG2-CD2 3.86Å |
| 38 | K | 79.5 | Confident | 80 | Confident | 177 Ų | 177 | 67.9 Ų | 67.9 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -81 | -19.9 | 178.9 | -67 | -177.9 | -179.5 | 175.9 | 0 | 112.3 | S35 L36 Y53 | S35-K38 PolarHBondContact O-N 3.22Å; L36-K38 VanDerWaalsContact C-N 3.3Å; L36-K38 PolarHBondContact O-N 3.21Å; K38-Y53 WeakPolarHBondContact O-CE1 2.97Å |
| 39 | G | 87.2 | Confident | 81.6 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | trans | 83.1 | 136.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.3 | L36 T37 Q52 | L36-G39 PolarHBondContact O-N 3.09Å; T37-G39 VanDerWaalsContact C-N 3.34Å; G39-Q52 CarbonylContact C-O 3.53Å; G39-Q52 VanDerWaalsContact CA-O 3.31Å; G39-Q52 WeakPolarHBondContact CA-O 3.31Å | ||
| 40 | K | 90.1 | Very high | 83 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.8 | 170.8 | 179.7 | 177.6 | 173.4 | -172 | 0 | 108.4 | V42 S51 Q52 A247 M249 | K40-V42 WeakPolarHBondContact O-CG2 3.27Å; K40-V42 PolarHBondContact O-N 3.27Å; K40-S51 CarbonylContact O-C 3.59Å; K40-S51 WeakPolarHBondContact O-CA 3.32Å; K40-Q52 PolarHBondContact N-O 3.03Å; K40-Q52 PolarHBondContact O-N 3.31Å; K40-A247 PolarHBondContact NZ-O 3.07Å; K40-A247 VanDerWaalsContact NZ-O 3.08Å; K40-M249 HydrophobicContact CD-CE 3.83Å; K40-M249 HydrophobicContact CD-SD 3.98Å; K40-M249 HydrophobicContact CG-CE 4.47Å |
| 41 | L | 92.4 | Very high | 84 | Confident | 95 Ų | 95 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121.9 | 167.6 | -177.1 | 67.3 | 0 | 0 | 0 | 108.2 | E44 A49 S51 | L41-E44 HydrophobicContact CD1-CB 4.27Å; L41-E44 HydrophobicContact CD2-CB 4.25Å; L41-A49 HydrophobicContact CD1-CB 4.49Å; L41-S51 WeakPolarHBondContact CD1-OG 3.38Å |
| 42 | V | 91.7 | Very high | 85.2 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -45.7 | -174.5 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | K40 Y50 Q52 Y244 A247 M249 I251 | K40-V42 WeakPolarHBondContact O-CG2 3.27Å; K40-V42 PolarHBondContact O-N 3.27Å; V42-Y50 HydrophobicContact CB-CD1 3.63Å; V42-Y50 HydrophobicContact CB-CE1 4.27Å; V42-Y50 HydrophobicContact CG1-CD1 4.39Å; V42-Y50 HydrophobicContact CG2-CD1 3.42Å; V42-Y50 VanDerWaalsContact CG2-CD1 3.42Å; V42-Y50 HydrophobicContact CG2-CE1 3.68Å; V42-Y50 PolarHBondContact N-O 3.11Å; V42-Q52 HydrophobicContact CG2-CB 4.11Å; V42-Y244 HydrophobicContact CG1-CD1 3.56Å; V42-Y244 HydrophobicContact CG1-CE1 3.79Å; V42-Y244 HydrophobicContact CG1-CG 4.29Å; V42-A247 HydrophobicContact CG1-CB 3.56Å; V42-M249 HydrophobicContact CB-CE 4.13Å; V42-M249 HydrophobicContact CG1-CE 3.75Å; V42-M249 HydrophobicContact CG2-CE 3.24Å; V42-I251 HydrophobicContact CG1-CG2 4.29Å |
| 43 | F | 91.4 | Very high | 86.4 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 152.7 | 172.7 | 55.6 | -80 | 0 | 0 | 0 | 111.3 | Y48 A49 Y50 Y244 I251 I258 | F43-Y48 AromaticContact CD2-CD1 3.89Å; F43-Y48 HydrophobicContact CD2-CD1 3.89Å; F43-Y48 AromaticContact CD2-CE1 3.44Å; F43-Y48 HydrophobicContact CD2-CE1 3.44Å; F43-Y48 VanDerWaalsContact CD2-CE1 3.44Å; F43-Y48 AromaticContact CE2-CD1 3.68Å; F43-Y48 HydrophobicContact CE2-CD1 3.68Å; F43-Y48 AromaticContact CE2-CE1 2.92Å; F43-Y48 HydrophobicContact CE2-CE1 2.92Å; F43-Y48 AromaticContact CE2-CZ 3.53Å; F43-Y48 HydrophobicContact CG-CE1 4.48Å; F43-Y48 AromaticContact CZ-CE1 3.56Å; F43-Y48 HydrophobicContact CZ-CE1 3.56Å; F43-Y48 AromaticContact CZ-CZ 3.79Å; F43-Y48 VanDerWaalsContact CZ-OH 3.27Å; F43-Y48 WeakPolarHBondContact CZ-OH 3.38Å; F43-A49 WeakPolarHBondContact O-CA 3.39Å; F43-Y50 HydrophobicContact CD1-CG 4.36Å; F43-Y50 HydrophobicContact CE1-CD1 4.18Å; F43-Y50 HydrophobicContact CE1-CD2 4.17Å; F43-Y50 AromaticContact CE1-CG 3.67Å; F43-Y50 HydrophobicContact CE1-CG 3.67Å; F43-Y50 HydrophobicContact CZ-CD2 4.23Å; F43-Y50 HydrophobicContact CZ-CG 4.03Å; F43-Y50 PolarHBondContact N-O 3.41Å; F43-Y50 PolarHBondContact O-N 2.86Å; F43-Y244 HydrophobicContact CB-CE1 4.44Å; F43-Y244 WeakPolarHBondContact CB-OH 3.28Å; F43-Y244 HydrophobicContact CD1-CD2 4.43Å; F43-Y244 HydrophobicContact CD1-CE1 4.06Å; F43-Y244 AromaticContact CD1-CE2 3.85Å; F43-Y244 HydrophobicContact CD1-CE2 3.85Å; F43-Y244 AromaticContact CD1-CZ 3.69Å; F43-Y244 HydrophobicContact CE1-CD2 4.43Å; F43-Y244 HydrophobicContact CE1-CE2 4.15Å; F43-Y244 HydrophobicContact CG-CE2 4.31Å; F43-Y244 AromaticContact CG-CZ 3.99Å; F43-I251 HydrophobicContact CE1-CD1 3.96Å; F43-I258 HydrophobicContact CE2-CD1 3.72Å; F43-I258 HydrophobicContact CE2-CG1 4.46Å; F43-I258 HydrophobicContact CZ-CD1 3.58Å |
| 44 | E | 93.3 | Very high | 87.6 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 138 | -178.3 | -176 | 169.9 | -132.1 | 0 | 0 | 109.1 | L41 Y48 A49 K206 W207 | L41-E44 HydrophobicContact CD1-CB 4.27Å; L41-E44 HydrophobicContact CD2-CB 4.25Å; E44-Y48 WeakPolarHBondContact CA-O 3.33Å; E44-A49 HydrophobicContact CB-CB 4.31Å; E44-A49 HydrophobicContact CG-CB 4.03Å; E44-K206 WeakPolarHBondContact OE1-CE 3.32Å; E44-K206 IonicContact OE1-NZ 2.7Å; E44-K206 PolarHBondContact OE1-NZ 2.85Å; E44-K206 IonicContact OE2-NZ 2.83Å; E44-K206 PolarHBondContact OE2-NZ 3.13Å; E44-W207 HydrophobicContact CG-CZ2 3.85Å; E44-W207 WeakPolarHBondContact OE1-CZ2 3.27Å; E44-W207 PolarHBondContact OE1-NE1 3.36Å |
| 45 | N | 91.6 | Very high | 88.7 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | trans | -132.2 | -167.4 | 165.6 | 71 | 27.5 | 0 | 0 | 0 | 109.1 | S47 Y48 W207 | N45-S47 VanDerWaalsContact C-N 3.28Å; N45-S47 PolarHBondContact O-N 2.88Å; N45-S47 PolarHBondContact OD1-N 2.93Å; N45-Y48 PolarHBondContact N-O 2.99Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.41Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.19Å; N45-Y48 PolarHBondContact OD1-N 3.16Å; N45-Y48 PolarHBondContact OD1-O 2.7Å; N45-W207 VanDerWaalsContact O-CH2 3.25Å; N45-W207 WeakPolarHBondContact O-CH2 3.36Å | ||
| 46 | E | 90.3 | Very high | 89.9 | Confident | 178 Ų | 178 | 49.3 Ų | 49.3 | 83% | 0.832 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -69.1 | -24.1 | -176.5 | -60.3 | -173.2 | 168 | 0 | 0 | 114.5 | ||
| 47 | S | 91.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -117.4 | -8.5 | -172.6 | -66 | 0 | 0 | 0 | 0 | 114.3 | N45 R61 V62 | N45-S47 VanDerWaalsContact C-N 3.28Å; N45-S47 PolarHBondContact O-N 2.88Å; N45-S47 PolarHBondContact OD1-N 2.93Å; S47-R61 WeakPolarHBondContact O-CA 3.44Å; S47-V62 VanDerWaalsContact CA-CG2 3.49Å; S47-V62 PolarHBondContact O-N 2.75Å |
| 48 | Y | 91.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 143.3 | -168.9 | 174.1 | -75.8 | 0 | 0 | 0 | 111.6 | F43 E44 N45 I59 I60 R61 | F43-Y48 AromaticContact CD2-CD1 3.89Å; F43-Y48 HydrophobicContact CD2-CD1 3.89Å; F43-Y48 AromaticContact CD2-CE1 3.44Å; F43-Y48 HydrophobicContact CD2-CE1 3.44Å; F43-Y48 VanDerWaalsContact CD2-CE1 3.44Å; F43-Y48 AromaticContact CE2-CD1 3.68Å; F43-Y48 HydrophobicContact CE2-CD1 3.68Å; F43-Y48 AromaticContact CE2-CE1 2.92Å; F43-Y48 HydrophobicContact CE2-CE1 2.92Å; F43-Y48 AromaticContact CE2-CZ 3.53Å; F43-Y48 HydrophobicContact CG-CE1 4.48Å; F43-Y48 AromaticContact CZ-CE1 3.56Å; F43-Y48 HydrophobicContact CZ-CE1 3.56Å; F43-Y48 AromaticContact CZ-CZ 3.79Å; F43-Y48 VanDerWaalsContact CZ-OH 3.27Å; F43-Y48 WeakPolarHBondContact CZ-OH 3.38Å; E44-Y48 WeakPolarHBondContact CA-O 3.33Å; N45-Y48 PolarHBondContact N-O 2.99Å; N45-Y48 WeakPolarHBondContact OD1-CA 3.41Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.19Å; N45-Y48 PolarHBondContact OD1-N 3.16Å; N45-Y48 PolarHBondContact OD1-O 2.7Å; Y48-I59 HydrophobicContact CD2-CG2 4.27Å; Y48-I59 HydrophobicContact CE2-CG2 3.49Å; Y48-I59 VanDerWaalsContact CE2-CG2 3.49Å; Y48-I60 CarbonylContact C-O 3.5Å; Y48-I60 WeakPolarHBondContact CA-O 3.39Å; Y48-R61 HydrophobicContact CD2-CG 3.94Å; Y48-R61 HydrophobicContact CE2-CG 4.42Å |
| 49 | A | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L41 F43 E44 I59 I60 W207 | L41-A49 HydrophobicContact CD1-CB 4.49Å; F43-A49 WeakPolarHBondContact O-CA 3.39Å; E44-A49 HydrophobicContact CB-CB 4.31Å; E44-A49 HydrophobicContact CG-CB 4.03Å; A49-I59 CarbonylContact O-C 3.58Å; A49-I59 WeakPolarHBondContact O-CA 3.33Å; A49-I60 HydrophobicContact CB-CB 4.26Å; A49-I60 PolarHBondContact N-O 3.28Å; A49-I60 PolarHBondContact O-N 3.21Å; A49-W207 HydrophobicContact CB-CZ2 3.94Å |
| 50 | Y | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.6 | 170.1 | -175.8 | -73.3 | 0 | 0 | 0 | 109.7 | V42 F43 Q52 S57 Q58 I59 I251 V252 | V42-Y50 HydrophobicContact CB-CD1 3.63Å; V42-Y50 HydrophobicContact CB-CE1 4.27Å; V42-Y50 HydrophobicContact CG1-CD1 4.39Å; V42-Y50 HydrophobicContact CG2-CD1 3.42Å; V42-Y50 VanDerWaalsContact CG2-CD1 3.42Å; V42-Y50 HydrophobicContact CG2-CE1 3.68Å; V42-Y50 PolarHBondContact N-O 3.11Å; F43-Y50 HydrophobicContact CD1-CG 4.36Å; F43-Y50 HydrophobicContact CE1-CD1 4.18Å; F43-Y50 HydrophobicContact CE1-CD2 4.17Å; F43-Y50 AromaticContact CE1-CG 3.67Å; F43-Y50 HydrophobicContact CE1-CG 3.67Å; F43-Y50 HydrophobicContact CZ-CD2 4.23Å; F43-Y50 HydrophobicContact CZ-CG 4.03Å; F43-Y50 PolarHBondContact N-O 3.41Å; F43-Y50 PolarHBondContact O-N 2.86Å; Y50-Q52 HydrophobicContact CE1-CB 4.22Å; Y50-Q52 PolarHBondContact OH-OE1 2.94Å; Y50-S57 WeakPolarHBondContact OH-CB 3.46Å; Y50-Q58 CarbonylContact C-O 3.55Å; Y50-Q58 WeakPolarHBondContact CA-O 3.46Å; Y50-I59 HydrophobicContact CD2-CG1 3.79Å; Y50-I59 HydrophobicContact CE2-CG1 4.21Å; Y50-I251 HydrophobicContact CE1-CB 4.24Å; Y50-I251 HydrophobicContact CE1-CG2 3.92Å; Y50-I251 HydrophobicContact CE2-CB 4.47Å; Y50-I251 WeakPolarHBondContact OH-CB 3.41Å; Y50-V252 PolarHBondContact OH-N 2.96Å |
| 51 | S | 94.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.9 | 172.3 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | K40 L41 Q58 | K40-S51 CarbonylContact O-C 3.59Å; K40-S51 WeakPolarHBondContact O-CA 3.32Å; L41-S51 WeakPolarHBondContact CD1-OG 3.38Å; S51-Q58 PolarHBondContact N-O 2.92Å; S51-Q58 PolarHBondContact O-N 2.87Å |
| 52 | Q | 93.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.8 | 173.7 | -172.9 | 56.2 | 54.3 | 0 | 0 | 110.1 | L36 G39 K40 V42 Y50 Y56 S219 P223 M249 | L36-Q52 HydrophobicContact CD2-CB 4.44Å; L36-Q52 HydrophobicContact CD2-CG 3.89Å; G39-Q52 CarbonylContact C-O 3.53Å; G39-Q52 VanDerWaalsContact CA-O 3.31Å; G39-Q52 WeakPolarHBondContact CA-O 3.31Å; K40-Q52 PolarHBondContact N-O 3.03Å; K40-Q52 PolarHBondContact O-N 3.31Å; V42-Q52 HydrophobicContact CG2-CB 4.11Å; Y50-Q52 HydrophobicContact CE1-CB 4.22Å; Y50-Q52 PolarHBondContact OH-OE1 2.94Å; Q52-Y56 PolarHBondContact NE2-O 2.89Å; Q52-S219 PolarHBondContact NE2-OG 3.02Å; Q52-P223 VanDerWaalsContact CD-CG 3.48Å; Q52-P223 HydrophobicContact CG-CB 4.16Å; Q52-P223 HydrophobicContact CG-CG 4.05Å; Q52-M249 HydrophobicContact CB-CE 4.2Å; Q52-M249 HydrophobicContact CB-SD 4.48Å; Q52-M249 HydrophobicContact CG-SD 4.45Å |
| 53 | Y | 92.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | trans | -112.9 | 175.7 | 172 | -70.9 | -91.7 | 0 | 0 | 0 | 110.4 | L36 K38 H55 Y56 Q58 T201 | L36-Y53 CarbonylContact O-C 3.59Å; L36-Y53 WeakPolarHBondContact O-CA 3.42Å; K38-Y53 WeakPolarHBondContact O-CE1 2.97Å; Y53-H55 PolarHBondContact O-N 3.37Å; Y53-Y56 CarbonylContact C-O 3.54Å; Y53-Y56 WeakPolarHBondContact CA-O 3.29Å; Y53-Y56 WeakPolarHBondContact CB-O 3.45Å; Y53-Y56 PolarHBondContact N-O 2.75Å; Y53-Y56 VanDerWaalsContact O-O 3.13Å; Y53-Q58 HydrophobicContact CD2-CB 4.11Å; Y53-Q58 HydrophobicContact CE2-CB 4.05Å; Y53-T201 HydrophobicContact CD1-CG2 3.72Å; Y53-T201 HydrophobicContact CD2-CG2 3.97Å; Y53-T201 HydrophobicContact CE1-CG2 4.16Å; Y53-T201 HydrophobicContact CE2-CG2 4.38Å; Y53-T201 HydrophobicContact CG-CG2 3.62Å | ||
| 54 | Y | 89.5 | Confident | 93.5 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -62.7 | 131.4 | 167.6 | 174.2 | -113 | 0 | 0 | 0 | 110 | V29 I33 L36 Y56 Y91 L190 L199 | V29-Y54 HydrophobicContact CG1-CE2 4.35Å; I33-Y54 HydrophobicContact CB-CD2 4.49Å; I33-Y54 HydrophobicContact CD1-CD1 4.13Å; I33-Y54 HydrophobicContact CD1-CD2 3.3Å; I33-Y54 HydrophobicContact CD1-CE1 3.93Å; I33-Y54 HydrophobicContact CD1-CE2 3.06Å; I33-Y54 HydrophobicContact CD1-CG 3.81Å; I33-Y54 HydrophobicContact CG1-CD2 3.33Å; I33-Y54 HydrophobicContact CG1-CE2 3.58Å; I33-Y54 HydrophobicContact CG1-CG 3.94Å; I33-Y54 HydrophobicContact CG2-CD2 4.43Å; I33-Y54 HydrophobicContact CG2-CG 4.2Å; L36-Y54 PolarHBondContact O-N 3.14Å; Y54-Y56 PolarHBondContact O-N 2.85Å; Y54-Y91 HydrophobicContact CD1-CD1 4.31Å; Y54-Y91 HydrophobicContact CD1-CE1 4.37Å; Y54-Y91 HydrophobicContact CE1-CD1 4.42Å; Y54-L190 HydrophobicContact CE1-CD2 4.17Å; Y54-L199 HydrophobicContact CD1-CD1 3.54Å; Y54-L199 HydrophobicContact CD1-CD2 3.89Å; Y54-L199 HydrophobicContact CD1-CG 4.35Å; Y54-L199 HydrophobicContact CE1-CD1 3.86Å; Y54-L199 HydrophobicContact CG-CD2 4.48Å |
| 55 | H | 91.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 66.5 | -32.1 | 179.4 | -161.1 | 85.6 | 0 | 0 | 0 | 116.3 | Y53 Y91 G92 V218 S219 | Y53-H55 PolarHBondContact O-N 3.37Å; H55-Y91 HydrophobicContact CB-CD1 3.67Å; H55-Y91 HydrophobicContact CB-CE1 4.05Å; H55-Y91 WeakPolarHBondContact NE2-CA 3.24Å; H55-G92 PolarHBondContact CE1-N 2.88Å; H55-G92 PolarHBondContact NE2-N 3.17Å; H55-V218 WeakPolarHBondContact O-CA 2.99Å; H55-S219 PolarHBondContact O-N 3.48Å |
| 56 | Y | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.2 | -178.6 | -66.7 | -76.3 | 0 | 0 | 0 | 113.3 | Q52 Y53 Y54 Y91 I167 L186 E217 V218 | Q52-Y56 PolarHBondContact NE2-O 2.89Å; Y53-Y56 CarbonylContact C-O 3.54Å; Y53-Y56 WeakPolarHBondContact CA-O 3.29Å; Y53-Y56 WeakPolarHBondContact CB-O 3.45Å; Y53-Y56 PolarHBondContact N-O 2.75Å; Y53-Y56 VanDerWaalsContact O-O 3.13Å; Y54-Y56 PolarHBondContact O-N 2.85Å; Y56-Y91 HydrophobicContact CD2-CD1 4.1Å; Y56-Y91 AromaticContact CD2-CE1 3.65Å; Y56-Y91 HydrophobicContact CD2-CE1 3.65Å; Y56-Y91 HydrophobicContact CD2-CE2 4.21Å; Y56-Y91 AromaticContact CD2-CZ 3.73Å; Y56-Y91 AromaticContact CE2-CD1 3.84Å; Y56-Y91 HydrophobicContact CE2-CD1 3.84Å; Y56-Y91 AromaticContact CE2-CD2 3.79Å; Y56-Y91 HydrophobicContact CE2-CD2 3.79Å; Y56-Y91 AromaticContact CE2-CE1 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 3.76Å; Y56-Y91 AromaticContact CE2-CE2 3.72Å; Y56-Y91 HydrophobicContact CE2-CE2 3.72Å; Y56-Y91 AromaticContact CE2-CG 3.85Å; Y56-Y91 HydrophobicContact CE2-CG 3.85Å; Y56-Y91 AromaticContact CE2-CZ 3.71Å; Y56-Y91 PolarHBondContact OH-N 2.7Å; Y56-I167 HydrophobicContact CE1-CD1 4.27Å; Y56-L186 HydrophobicContact CD2-CD2 3.81Å; Y56-L186 HydrophobicContact CE2-CD2 3.89Å; Y56-L186 HydrophobicContact CG-CD2 4.32Å; Y56-E217 CarbonylContact C-O 3.6Å; Y56-E217 VanDerWaalsContact CA-O 3.24Å; Y56-E217 WeakPolarHBondContact CA-O 3.37Å; Y56-V218 HydrophobicContact CD1-CG2 4.34Å; Y56-V218 HydrophobicContact CE1-CG2 3.88Å |
| 57 | S | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.2 | 161.2 | 47.2 | 0 | 0 | 0 | 0 | 108.1 | Y50 Y216 E217 S219 | Y50-S57 WeakPolarHBondContact OH-CB 3.46Å; S57-Y216 VanDerWaalsContact O-CA 3.28Å; S57-Y216 WeakPolarHBondContact O-CA 3.01Å; S57-E217 PolarHBondContact N-O 3.04Å; S57-E217 PolarHBondContact O-N 2.05Å; S57-E217 PolarHBondContact OG-O 3.15Å; S57-S219 PolarHBondContact N-OG 2.72Å |
| 58 | Q | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.7 | 176.7 | -177.5 | -169.3 | 62.5 | 0 | 0 | 109.3 | Y50 S51 Y53 I60 F202 V214 E215 Y216 | Y50-Q58 CarbonylContact C-O 3.55Å; Y50-Q58 WeakPolarHBondContact CA-O 3.46Å; S51-Q58 PolarHBondContact N-O 2.92Å; S51-Q58 PolarHBondContact O-N 2.87Å; Y53-Q58 HydrophobicContact CD2-CB 4.11Å; Y53-Q58 HydrophobicContact CE2-CB 4.05Å; Q58-I60 HydrophobicContact CG-CG1 4.31Å; Q58-F202 PolarHBondContact NE2-O 2.88Å; Q58-V214 HydrophobicContact CG-CG1 3.79Å; Q58-E215 CarbonylContact C-O 3.57Å; Q58-E215 WeakPolarHBondContact CA-O 3.28Å; Q58-Y216 HydrophobicContact CB-CD1 3.93Å; Q58-Y216 HydrophobicContact CB-CE1 3.83Å; Q58-Y216 HydrophobicContact CG-CD1 4.07Å; Q58-Y216 HydrophobicContact CG-CE1 3.61Å; Q58-Y216 PolarHBondContact NE2-OH 2.9Å |
| 59 | I | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.1 | 175 | -61.5 | 155.4 | 0 | 0 | 0 | 107.8 | Y48 A49 Y50 R61 V214 E215 T254 | Y48-I59 HydrophobicContact CD2-CG2 4.27Å; Y48-I59 HydrophobicContact CE2-CG2 3.49Å; Y48-I59 VanDerWaalsContact CE2-CG2 3.49Å; A49-I59 CarbonylContact O-C 3.58Å; A49-I59 WeakPolarHBondContact O-CA 3.33Å; Y50-I59 HydrophobicContact CD2-CG1 3.79Å; Y50-I59 HydrophobicContact CE2-CG1 4.21Å; I59-R61 HydrophobicContact CG2-CG 4.08Å; I59-V214 CarbonylContact O-C 3.51Å; I59-V214 WeakPolarHBondContact O-CA 3.29Å; I59-E215 HydrophobicContact CB-CB 4.43Å; I59-E215 PolarHBondContact N-O 3.35Å; I59-E215 PolarHBondContact O-N 3.09Å; I59-T254 HydrophobicContact CD1-CG2 3.39Å; I59-T254 HydrophobicContact CG1-CG2 4.33Å |
| 60 | I | 95.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.2 | 175.3 | -55.5 | -176.9 | 0 | 0 | 0 | 107.5 | Y48 A49 Q58 V203 W207 T212 L213 V214 | Y48-I60 CarbonylContact C-O 3.5Å; Y48-I60 WeakPolarHBondContact CA-O 3.39Å; A49-I60 HydrophobicContact CB-CB 4.26Å; A49-I60 PolarHBondContact N-O 3.28Å; A49-I60 PolarHBondContact O-N 3.21Å; Q58-I60 HydrophobicContact CG-CG1 4.31Å; I60-V203 HydrophobicContact CD1-CG1 4.32Å; I60-W207 HydrophobicContact CD1-CB 4.12Å; I60-W207 HydrophobicContact CD1-CG 3.88Å; I60-W207 HydrophobicContact CG2-CB 3.87Å; I60-W207 HydrophobicContact CG2-CD2 3.74Å; I60-W207 HydrophobicContact CG2-CE3 3.76Å; I60-W207 HydrophobicContact CG2-CG 3.8Å; I60-T212 HydrophobicContact CG2-CG2 3.65Å; I60-L213 WeakPolarHBondContact CA-O 3.33Å; I60-V214 HydrophobicContact CG1-CG1 4.27Å; I60-V214 HydrophobicContact CG1-CG2 4.15Å; I60-V214 HydrophobicContact CG2-CG2 4.4Å |
| 61 | R | 95 | Very high | 89 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.6 | 175.3 | -62 | 177.3 | -169.5 | -101.5 | 1.6 | 109.4 | S47 Y48 I59 Q64 T212 L213 E215 | S47-R61 WeakPolarHBondContact O-CA 3.44Å; Y48-R61 HydrophobicContact CD2-CG 3.94Å; Y48-R61 HydrophobicContact CE2-CG 4.42Å; I59-R61 HydrophobicContact CG2-CG 4.08Å; R61-Q64 HydrophobicContact CB-CG 3.53Å; R61-T212 CarbonylContact O-C 3.58Å; R61-T212 WeakPolarHBondContact O-CA 3.43Å; R61-L213 PolarHBondContact N-O 2.89Å; R61-L213 PolarHBondContact O-N 2.95Å; R61-E215 IonicContact NE-OE2 3.58Å |
| 62 | V | 94.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -95.4 | 169.7 | 173.1 | -53.8 | 0 | 0 | 0 | 0 | 111 | S47 Q64 W207 K209 G211 | S47-V62 VanDerWaalsContact CA-CG2 3.49Å; S47-V62 PolarHBondContact O-N 2.75Å; V62-Q64 PolarHBondContact O-N 2.78Å; V62-Q64 VanDerWaalsContact O-N 3.15Å; V62-Q64 PolarHBondContact O-NE2 2.81Å; V62-W207 HydrophobicContact CG1-CE3 3.51Å; V62-W207 HydrophobicContact CG1-CZ3 3.42Å; V62-W207 VanDerWaalsContact CG1-CZ3 3.42Å; V62-K209 VanDerWaalsContact CG1-CE 3.45Å; V62-G211 CarbonylContact C-O 3.6Å |
| 63 | N | 93.4 | Very high | 88.8 | Confident | 134 Ų | 134 | 50.2 Ų | 50.2 | 72% | 0.717 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 54.7 | 31.4 | 179.9 | -55.6 | -27.5 | 0 | 0 | 0 | 113.2 | G211 | N63-G211 PolarHBondContact N-O 2.82Š|
| 64 | Q | 94.1 | Very high | 88.9 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -91 | 150.4 | 174.3 | -57.9 | -52.9 | -75.2 | 0 | 0 | 110.1 | R61 V62 Y170 G211 L213 | R61-Q64 HydrophobicContact CB-CG 3.53Å; V62-Q64 PolarHBondContact O-N 2.78Å; V62-Q64 VanDerWaalsContact O-N 3.15Å; V62-Q64 PolarHBondContact O-NE2 2.81Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.37Å; Q64-Y170 PolarHBondContact O-OH 2.88Å; Q64-G211 PolarHBondContact N-O 2.79Å; Q64-L213 HydrophobicContact CB-CB 3.9Å; Q64-L213 HydrophobicContact CB-CD2 4.47Å; Q64-L213 HydrophobicContact CG-CB 3.92Å; Q64-L213 HydrophobicContact CG-CD2 4.46Å |
| 65 | S | 91.8 | Very high | 89.2 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 159.9 | 166.6 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 66 | S | 88.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 131.3 | 171.2 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | I68 | S66-I68 PolarHBondContact O-N 3.22Å; S66-I68 PolarHBondContact OG-N 2.86Å; S66-I68 PolarHBondContact OG-O 2.97Å; S66-I68 VanDerWaalsContact OG-O 3.11Å |
| 67 | P | 85.7 | Confident | 89.3 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -70.3 | -11.8 | 177.4 | 30.1 | -35.7 | 0 | 0 | 0 | 112.7 | L160 L213 | P67-L160 HydrophobicContact CB-CD2 4.01Å; P67-L160 HydrophobicContact CG-CD2 4.1Å; P67-L213 HydrophobicContact CB-CD1 4.35Å; P67-L213 HydrophobicContact CG-CD1 3.88Å |
| 68 | I | 79 | Confident | 89.3 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | trans | -99.8 | 118.2 | 177.8 | -56.1 | -173.1 | 0 | 0 | 0 | 108.9 | S66 C71 F73 A139 T158 L160 | S66-I68 PolarHBondContact O-N 3.22Å; S66-I68 PolarHBondContact OG-N 2.86Å; S66-I68 PolarHBondContact OG-O 2.97Å; S66-I68 VanDerWaalsContact OG-O 3.11Å; I68-C71 HydrophobicContact CG2-CB 3.34Å; I68-F73 HydrophobicContact CD1-CE2 4.26Å; I68-F73 HydrophobicContact CD1-CZ 3.7Å; I68-F73 HydrophobicContact CG2-CE2 4.16Å; I68-A139 HydrophobicContact CD1-CB 3.78Å; I68-T158 HydrophobicContact CD1-CG2 3.38Å; I68-T158 HydrophobicContact CG1-CG2 4.27Å; I68-L160 HydrophobicContact CD1-CD1 4.28Å; I68-L160 HydrophobicContact CG1-CD1 4.34Å; I68-L160 HydrophobicContact CG1-CD2 4.23Å | ||
| 69 | V | 60.9 | Low | 89.2 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -106.8 | -39.7 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 112 | ||
| 70 | D | 69 | Low | 89.2 | Confident | 158 Ų | 158 | 73 Ų | 73 | 85% | 0.845 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -145.1 | 87.1 | -178.2 | -72.9 | -54.3 | 0 | 0 | 0 | 111.3 | ||
| 71 | C | 80 | Confident | 89.3 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 20% | 0.203 | 42% | 0.42 | C | S | . | . | trans | -134.3 | 130 | -176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | I68 F73 S132 | I68-C71 HydrophobicContact CG2-CB 3.34Å; C71-F73 HydrophobicContact CB-CD2 4.37Å; C71-F73 HydrophobicContact CB-CE2 3.9Å; C71-F73 WeakPolarHBondContact O-CD2 3.33Å; C71-F73 PolarHBondContact O-N 3.22Å; C71-S132 WeakPolarHBondContact SG-CB 3.43Å; C71-S132 PolarHBondContact SG-OG 2.79Å | ||
| 72 | K | 89.6 | Confident | 89.3 | Confident | 151 Ų | 151 | 79.3 Ų | 79.3 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | trans | -79 | 114.1 | 175.2 | -172.2 | -176.3 | 177.8 | -170.1 | 0 | 109.1 | S132 | K72-S132 WeakPolarHBondContact O-CB 3.19Å; K72-S132 PolarHBondContact O-OG 2.95Å | ||
| 73 | F | 93.4 | Very high | 89.5 | Confident | 32 Ų | 32 | 85 Ų | 85 | 14% | 0.14 | 45% | 0.448 | C | S | . | . | trans | -97.2 | 139.7 | 174.2 | -78.8 | -86.3 | 0 | 0 | 0 | 111.5 | I68 C71 E130 F131 A139 R141 | I68-F73 HydrophobicContact CD1-CE2 4.26Å; I68-F73 HydrophobicContact CD1-CZ 3.7Å; I68-F73 HydrophobicContact CG2-CE2 4.16Å; C71-F73 HydrophobicContact CB-CD2 4.37Å; C71-F73 HydrophobicContact CB-CE2 3.9Å; C71-F73 WeakPolarHBondContact O-CD2 3.33Å; C71-F73 PolarHBondContact O-N 3.22Å; F73-E130 HydrophobicContact CB-CB 4.11Å; F73-E130 HydrophobicContact CD1-CB 3.78Å; F73-E130 HydrophobicContact CG-CB 4.26Å; F73-F131 WeakPolarHBondContact CA-O 3.47Å; F73-A139 HydrophobicContact CE1-CB 3.86Å; F73-A139 HydrophobicContact CZ-CB 3.84Å; F73-R141 HydrophobicContact CD1-CB 4.3Å; F73-R141 HydrophobicContact CE1-CB 3.78Å; F73-R141 HydrophobicContact CZ-CB 4.27Å | ||
| 74 | E | 94.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 41% | 0.407 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.7 | 169.6 | -67.6 | -180 | -172.4 | 0 | 0 | 109.9 | R80 E130 F131 | E74-R80 IonicContact OE2-NH1 2.67Å; E74-E130 VanDerWaalsContact O-CA 3.3Å; E74-E130 WeakPolarHBondContact O-CA 3.42Å; E74-F131 HydrophobicContact CB-CD1 4.25Å; E74-F131 HydrophobicContact CB-CE1 3.65Å; E74-F131 HydrophobicContact CB-CZ 4.14Å; E74-F131 PolarHBondContact N-O 3.39Å; E74-F131 WeakPolarHBondContact O-CD1 3.33Å; E74-F131 PolarHBondContact O-N 2.84Å; E74-F131 WeakPolarHBondContact OE2-CZ 3.13Å |
| 75 | K | 95.7 | Very high | 89.7 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 144.1 | 170.2 | -67.9 | -173.7 | -179.7 | -169.7 | 0 | 110.1 | Y129 E130 | K75-Y129 WeakPolarHBondContact CA-O 3.41Å; K75-E130 HydrophobicContact CG-CG 4.05Å |
| 76 | F | 94.5 | Very high | 89.9 | Confident | 23 Ų | 23 | 78.8 Ų | 78.8 | 10% | 0.101 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 169.7 | 176.9 | 75.7 | -74.3 | 0 | 0 | 0 | 112 | P78 R80 I100 Y129 F131 | F76-P78 HydrophobicContact CD2-CG 4.38Å; F76-P78 HydrophobicContact CE2-CB 4.09Å; F76-P78 HydrophobicContact CE2-CG 3.69Å; F76-P78 HydrophobicContact CZ-CG 4.15Å; F76-R80 HydrophobicContact CD2-CB 3.98Å; F76-R80 HydrophobicContact CE2-CB 4.32Å; F76-I100 HydrophobicContact CE1-CG2 4.32Å; F76-I100 HydrophobicContact CE2-CB 4.04Å; F76-I100 HydrophobicContact CE2-CG2 3.98Å; F76-I100 HydrophobicContact CZ-CB 3.94Å; F76-I100 HydrophobicContact CZ-CD1 4.3Å; F76-I100 HydrophobicContact CZ-CG2 3.41Å; F76-I100 VanDerWaalsContact CZ-CG2 3.41Å; F76-Y129 WeakPolarHBondContact CD1-O 3.45Å; F76-Y129 HydrophobicContact CZ-CG 4.37Å; F76-Y129 PolarHBondContact N-O 2.82Å; F76-Y129 VanDerWaalsContact N-O 3.1Å; F76-F131 HydrophobicContact CB-CD1 4.23Å; F76-F131 HydrophobicContact CB-CE1 4.23Å; F76-F131 HydrophobicContact CD1-CB 4.33Å; F76-F131 AromaticContact CD1-CD1 3.49Å; F76-F131 HydrophobicContact CD1-CD1 3.49Å; F76-F131 VanDerWaalsContact CD1-CD1 3.49Å; F76-F131 HydrophobicContact CD1-CE1 4.31Å; F76-F131 HydrophobicContact CD1-CG 4.31Å; F76-F131 HydrophobicContact CE1-CB 4.05Å; F76-F131 HydrophobicContact CE1-CD1 4.06Å; F76-F131 HydrophobicContact CE1-CG 4.46Å; F76-F131 AromaticContact CG-CD1 3.97Å; F76-F131 HydrophobicContact CG-CD1 3.97Å; F76-F131 HydrophobicContact CG-CE1 4.42Å |
| 77 | V | 94.5 | Very high | 90.2 | Very high | 126 Ų | 126 | 84.4 Ų | 84.4 | 76% | 0.764 | 43% | 0.428 | S | S | * | . | trans | -110.4 | 120.9 | 171.4 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | P | 92.9 | Very high | 90.7 | Very high | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.052 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -66.7 | 154.5 | 176.8 | -19.9 | 30.5 | 0 | 0 | 0 | 113.3 | F76 Y102 Y129 | F76-P78 HydrophobicContact CD2-CG 4.38Å; F76-P78 HydrophobicContact CE2-CB 4.09Å; F76-P78 HydrophobicContact CE2-CG 3.69Å; F76-P78 HydrophobicContact CZ-CG 4.15Å; P78-Y102 HydrophobicContact CB-CD1 4.03Å; P78-Y102 HydrophobicContact CB-CE1 4.1Å; P78-Y102 HydrophobicContact CB-CG 4.29Å; P78-Y102 HydrophobicContact CG-CD1 4.06Å; P78-Y102 HydrophobicContact CG-CE1 4.33Å; P78-Y129 HydrophobicContact CG-CD1 3.84Å; P78-Y129 HydrophobicContact CG-CD2 3.51Å; P78-Y129 HydrophobicContact CG-CE1 4.09Å; P78-Y129 HydrophobicContact CG-CE2 3.77Å; P78-Y129 HydrophobicContact CG-CG 3.54Å |
| 79 | P | 94.6 | Very high | 91.4 | Very high | 103 Ų | 103 | 86 Ų | 86 | 67% | 0.669 | 43% | 0.43 | S | S | * | . | cis | -84.9 | 150.9 | -5.1 | 34 | -33.8 | 0 | 0 | 0 | 112.5 | I100 | P79-I100 VanDerWaalsContact CA-O 3.31Å; P79-I100 WeakPolarHBondContact CA-O 3.44Å | ||
| 80 | R | 95.6 | Very high | 93.1 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.3 | 173.3 | -167.5 | 173.6 | 175.3 | 177.2 | -3.5 | 110.8 | E74 F76 I82 D99 I100 | E74-R80 IonicContact OE2-NH1 2.67Å; F76-R80 HydrophobicContact CD2-CB 3.98Å; F76-R80 HydrophobicContact CE2-CB 4.32Å; R80-I82 HydrophobicContact CG-CD1 4.06Å; R80-I82 HydrophobicContact CG-CG1 3.88Å; R80-D99 CarbonylContact O-C 3.57Å; R80-D99 WeakPolarHBondContact O-CA 3.2Å; R80-I100 PolarHBondContact N-O 2.85Å; R80-I100 PolarHBondContact O-N 2.8Å |
| 81 | K | 96.7 | Very high | 94.2 | Very high | 149 Ų | 149 | 73.7 Ų | 73.7 | 65% | 0.648 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.4 | 175.7 | -55.2 | -173.8 | 171.5 | 177.7 | 0 | 109.3 | D99 | K81-D99 WeakPolarHBondContact CG-OD1 3.43Å |
| 82 | I | 96.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.3 | -171.7 | -55.4 | 170.3 | 0 | 0 | 0 | 109.8 | R80 R97 F98 I100 F131 N133 | R80-I82 HydrophobicContact CG-CD1 4.06Å; R80-I82 HydrophobicContact CG-CG1 3.88Å; I82-R97 CarbonylContact O-C 3.45Å; I82-R97 WeakPolarHBondContact O-CA 3.38Å; I82-R97 WeakPolarHBondContact O-CB 3.47Å; I82-F98 HydrophobicContact CB-CD1 4.4Å; I82-F98 HydrophobicContact CB-CD2 4.27Å; I82-F98 HydrophobicContact CB-CE1 3.81Å; I82-F98 HydrophobicContact CB-CE2 3.65Å; I82-F98 HydrophobicContact CB-CZ 3.4Å; I82-F98 HydrophobicContact CD1-CE2 3.75Å; I82-F98 HydrophobicContact CD1-CZ 4.01Å; I82-F98 HydrophobicContact CG1-CE2 4.19Å; I82-F98 HydrophobicContact CG1-CZ 4.28Å; I82-F98 HydrophobicContact CG2-CE1 3.67Å; I82-F98 HydrophobicContact CG2-CE2 4.07Å; I82-F98 HydrophobicContact CG2-CZ 3.31Å; I82-F98 PolarHBondContact N-O 3.08Å; I82-F98 WeakPolarHBondContact O-CD1 3.44Å; I82-F98 PolarHBondContact O-N 3.34Å; I82-I100 HydrophobicContact CD1-CD1 3.71Å; I82-I100 HydrophobicContact CD1-CG1 4.15Å; I82-F131 HydrophobicContact CD1-CD2 3.58Å; I82-F131 HydrophobicContact CD1-CE2 3.49Å; I82-F131 VanDerWaalsContact CD1-CE2 3.49Å; I82-F131 HydrophobicContact CD1-CG 4.26Å; I82-F131 HydrophobicContact CD1-CZ 4.1Å; I82-N133 HydrophobicContact CG2-CB 4.43Å; I82-N133 VanDerWaalsContact CG2-ND2 3.34Å; I82-N133 WeakPolarHBondContact CG2-ND2 3.3Å |
| 83 | I | 97.5 | Very high | 94.8 | Very high | 127 Ų | 127 | 68.7 Ų | 68.7 | 65% | 0.651 | 35% | 0.349 | S | S | * | . | trans | -93.5 | 126.7 | 172.2 | -59.9 | 174.9 | 0 | 0 | 0 | 108.1 | N133 | I83-N133 PolarHBondContact O-ND2 3.22Š| ||
| 84 | P | 96.8 | Very high | 95 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | trans | -54.7 | 141.8 | 173.6 | -23.4 | 30.9 | 0 | 0 | 0 | 112.5 | F86 F88 V95 F98 | P84-F86 VanDerWaalsContact CB-O 3.22Å; P84-F86 WeakPolarHBondContact CB-O 3.42Å; P84-F86 PolarHBondContact O-N 3.39Å; P84-F88 HydrophobicContact CB-CD1 4.36Å; P84-F88 HydrophobicContact CB-CE1 3.89Å; P84-F88 HydrophobicContact CG-CD1 4.47Å; P84-F88 HydrophobicContact CG-CE1 3.67Å; P84-V95 HydrophobicContact CG-CG1 4.2Å; P84-F98 HydrophobicContact CB-CE1 4.42Å; P84-F98 HydrophobicContact CG-CD1 3.75Å; P84-F98 HydrophobicContact CG-CE1 4.02Å | ||
| 85 | K | 96.2 | Very high | 95.1 | Very high | 114 Ų | 114 | 68.1 Ų | 68.1 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.8 | -6.2 | 170.8 | -71.2 | -170.3 | -170.2 | 160.2 | 0 | 113.8 | N133 E134 E135 | K85-N133 WeakPolarHBondContact CD-O 3.27Å; K85-N133 WeakPolarHBondContact CE-O 3.01Å; K85-N133 PolarHBondContact N-OD1 2.87Å; K85-N133 PolarHBondContact NZ-O 3.5Å; K85-E134 IonicContact NZ-OE2 3.89Å; K85-E134 PolarHBondContact NZ-OE2 2.79Å; K85-E135 HydrophobicContact CB-CG 4.48Å; K85-E135 HydrophobicContact CD-CG 4.5Å |
| 86 | F | 95.7 | Very high | 95.1 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 10% | 0.101 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -137.4 | 155.8 | 176.6 | 58.5 | -86.8 | 0 | 0 | 0 | 110.9 | P84 F88 E134 E135 L138 P163 | P84-F86 VanDerWaalsContact CB-O 3.22Å; P84-F86 WeakPolarHBondContact CB-O 3.42Å; P84-F86 PolarHBondContact O-N 3.39Å; F86-F88 HydrophobicContact CD2-CB 4.07Å; F86-F88 AromaticContact CD2-CD1 3.81Å; F86-F88 HydrophobicContact CD2-CD1 3.81Å; F86-F88 HydrophobicContact CD2-CG 4.3Å; F86-F88 HydrophobicContact CE2-CB 3.92Å; F86-F88 AromaticContact CE2-CD1 3.44Å; F86-F88 HydrophobicContact CE2-CD1 3.44Å; F86-F88 VanDerWaalsContact CE2-CD1 3.44Å; F86-F88 HydrophobicContact CE2-CE1 4.15Å; F86-F88 AromaticContact CE2-CG 3.83Å; F86-F88 HydrophobicContact CE2-CG 3.83Å; F86-F88 HydrophobicContact CZ-CD1 4.22Å; F86-E134 WeakPolarHBondContact CD1-O 3.46Å; F86-E134 WeakPolarHBondContact CE1-O 3.11Å; F86-E135 WeakPolarHBondContact CB-O 3.33Å; F86-E135 WeakPolarHBondContact CD1-O 3.08Å; F86-L138 HydrophobicContact CE1-CB 4.04Å; F86-L138 HydrophobicContact CZ-CB 3.86Å; F86-P163 HydrophobicContact CB-CG 4.45Å; F86-P163 HydrophobicContact CD1-CG 4.45Å; F86-P163 HydrophobicContact CD2-CB 3.85Å; F86-P163 HydrophobicContact CD2-CG 3.83Å; F86-P163 HydrophobicContact CE2-CB 4.32Å; F86-P163 HydrophobicContact CE2-CG 4.15Å; F86-P163 HydrophobicContact CG-CB 4.34Å; F86-P163 HydrophobicContact CG-CG 3.98Å |
| 87 | L | 95.1 | Very high | 95.3 | Very high | 162 Ų | 162 | 65.1 Ų | 65.1 | 85% | 0.848 | 34% | 0.343 | S | S | * | . | trans | -81.8 | 132.7 | 175.3 | -60.9 | 175.5 | 0 | 0 | 0 | 109.7 | ||||
| 88 | F | 95.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | trans | -153.7 | 163.8 | 171.9 | 72.3 | -78.4 | 0 | 0 | 0 | 110.4 | P84 F86 V95 F107 L138 I161 | P84-F88 HydrophobicContact CB-CD1 4.36Å; P84-F88 HydrophobicContact CB-CE1 3.89Å; P84-F88 HydrophobicContact CG-CD1 4.47Å; P84-F88 HydrophobicContact CG-CE1 3.67Å; F86-F88 HydrophobicContact CD2-CB 4.07Å; F86-F88 AromaticContact CD2-CD1 3.81Å; F86-F88 HydrophobicContact CD2-CD1 3.81Å; F86-F88 HydrophobicContact CD2-CG 4.3Å; F86-F88 HydrophobicContact CE2-CB 3.92Å; F86-F88 AromaticContact CE2-CD1 3.44Å; F86-F88 HydrophobicContact CE2-CD1 3.44Å; F86-F88 VanDerWaalsContact CE2-CD1 3.44Å; F86-F88 HydrophobicContact CE2-CE1 4.15Å; F86-F88 AromaticContact CE2-CG 3.83Å; F86-F88 HydrophobicContact CE2-CG 3.83Å; F86-F88 HydrophobicContact CZ-CD1 4.22Å; F88-V95 HydrophobicContact CD1-CB 4.47Å; F88-V95 HydrophobicContact CD2-CG2 4.1Å; F88-V95 HydrophobicContact CE1-CB 3.96Å; F88-V95 HydrophobicContact CE1-CG1 4.08Å; F88-V95 HydrophobicContact CE1-CG2 4.37Å; F88-V95 HydrophobicContact CE2-CB 4.08Å; F88-V95 HydrophobicContact CE2-CG1 4.46Å; F88-V95 HydrophobicContact CE2-CG2 3.57Å; F88-V95 HydrophobicContact CZ-CB 3.74Å; F88-V95 HydrophobicContact CZ-CG1 3.76Å; F88-V95 HydrophobicContact CZ-CG2 3.73Å; F88-V95 PolarHBondContact O-N 3.25Å; F88-V95 VanDerWaalsContact O-N 3.13Å; F88-F107 HydrophobicContact CE2-CD1 4.05Å; F88-F107 AromaticContact CE2-CE1 3.96Å; F88-F107 HydrophobicContact CE2-CE1 3.96Å; F88-F107 AromaticContact CZ-CD1 3.88Å; F88-F107 HydrophobicContact CZ-CD1 3.88Å; F88-F107 AromaticContact CZ-CE1 3.84Å; F88-F107 HydrophobicContact CZ-CE1 3.84Å; F88-L138 HydrophobicContact CZ-CD2 4.42Å; F88-I161 HydrophobicContact CD2-CG2 3.89Å; F88-I161 HydrophobicContact CE2-CG2 3.82Å; F88-I161 HydrophobicContact CG-CG2 4.45Å; F88-I161 HydrophobicContact CZ-CG2 4.33Å | ||
| 89 | Q | 94.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 148 | 178.6 | -69.1 | -175.1 | -17.3 | 0 | 0 | 111.4 | S93 D94 | Q89-S93 CarbonylContact C-O 3.6Å; Q89-S93 VanDerWaalsContact CA-O 3.29Å; Q89-S93 WeakPolarHBondContact CA-O 3.49Å; Q89-D94 WeakPolarHBondContact CG-OD1 3.33Å; Q89-D94 PolarHBondContact NE2-OD1 3.08Å |
| 90 | F | 95.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.8 | 172.1 | -174.4 | -101.6 | 0 | 0 | 0 | 108.9 | G92 S93 V95 F107 L114 I167 L186 S187 | F90-G92 PolarHBondContact O-N 3.38Å; F90-S93 PolarHBondContact N-O 2.86Å; F90-S93 PolarHBondContact O-N 2.83Å; F90-S93 VanDerWaalsContact O-N 3.11Å; F90-V95 HydrophobicContact CB-CG2 3.68Å; F90-F107 HydrophobicContact CB-CB 4.37Å; F90-F107 HydrophobicContact CB-CG 4.4Å; F90-F107 HydrophobicContact CD1-CB 4.1Å; F90-F107 AromaticContact CD1-CD2 3.91Å; F90-F107 HydrophobicContact CD1-CD2 3.91Å; F90-F107 HydrophobicContact CD1-CG 4.27Å; F90-F107 AromaticContact CD2-CD2 3.58Å; F90-F107 HydrophobicContact CD2-CD2 3.58Å; F90-F107 AromaticContact CD2-CE2 3.72Å; F90-F107 HydrophobicContact CD2-CE2 3.72Å; F90-F107 HydrophobicContact CD2-CG 4.14Å; F90-F107 HydrophobicContact CD2-CZ 4.39Å; F90-F107 AromaticContact CE1-CD2 3.84Å; F90-F107 HydrophobicContact CE1-CD2 3.84Å; F90-F107 AromaticContact CE2-CD2 3.51Å; F90-F107 HydrophobicContact CE2-CD2 3.51Å; F90-F107 AromaticContact CE2-CE2 3.46Å; F90-F107 HydrophobicContact CE2-CE2 3.46Å; F90-F107 VanDerWaalsContact CE2-CE2 3.46Å; F90-F107 HydrophobicContact CE2-CG 4.49Å; F90-F107 HydrophobicContact CE2-CZ 4.41Å; F90-F107 HydrophobicContact CG-CB 4.18Å; F90-F107 AromaticContact CG-CD2 3.77Å; F90-F107 HydrophobicContact CG-CD2 3.77Å; F90-F107 HydrophobicContact CG-CE2 4.38Å; F90-F107 HydrophobicContact CG-CG 4.02Å; F90-F107 AromaticContact CZ-CD2 3.65Å; F90-F107 HydrophobicContact CZ-CD2 3.65Å; F90-F107 AromaticContact CZ-CE2 3.93Å; F90-F107 HydrophobicContact CZ-CE2 3.93Å; F90-L114 HydrophobicContact CB-CD1 4.38Å; F90-L114 HydrophobicContact CD1-CB 3.88Å; F90-I167 HydrophobicContact CD2-CD1 3.83Å; F90-I167 HydrophobicContact CE2-CD1 3.7Å; F90-L186 HydrophobicContact CE2-CD1 3.73Å; F90-L186 HydrophobicContact CE2-CG 4.28Å; F90-L186 HydrophobicContact CZ-CD1 3.9Å; F90-L186 HydrophobicContact CZ-CG 4.19Å; F90-S187 WeakPolarHBondContact CE1-O 3.47Å; F90-S187 WeakPolarHBondContact CZ-O 3.44Å |
| 91 | Y | 92.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.5 | -169.6 | -75.5 | -82.6 | 0 | 0 | 0 | 112.6 | Y54 H55 Y56 S93 L186 L199 | Y54-Y91 HydrophobicContact CD1-CD1 4.31Å; Y54-Y91 HydrophobicContact CD1-CE1 4.37Å; Y54-Y91 HydrophobicContact CE1-CD1 4.42Å; H55-Y91 HydrophobicContact CB-CD1 3.67Å; H55-Y91 HydrophobicContact CB-CE1 4.05Å; H55-Y91 WeakPolarHBondContact NE2-CA 3.24Å; Y56-Y91 HydrophobicContact CD2-CD1 4.1Å; Y56-Y91 AromaticContact CD2-CE1 3.65Å; Y56-Y91 HydrophobicContact CD2-CE1 3.65Å; Y56-Y91 HydrophobicContact CD2-CE2 4.21Å; Y56-Y91 AromaticContact CD2-CZ 3.73Å; Y56-Y91 AromaticContact CE2-CD1 3.84Å; Y56-Y91 HydrophobicContact CE2-CD1 3.84Å; Y56-Y91 AromaticContact CE2-CD2 3.79Å; Y56-Y91 HydrophobicContact CE2-CD2 3.79Å; Y56-Y91 AromaticContact CE2-CE1 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 3.76Å; Y56-Y91 AromaticContact CE2-CE2 3.72Å; Y56-Y91 HydrophobicContact CE2-CE2 3.72Å; Y56-Y91 AromaticContact CE2-CG 3.85Å; Y56-Y91 HydrophobicContact CE2-CG 3.85Å; Y56-Y91 AromaticContact CE2-CZ 3.71Å; Y56-Y91 PolarHBondContact OH-N 2.7Å; Y91-S93 PolarHBondContact O-N 3.34Å; Y91-L186 HydrophobicContact CE2-CD2 4.41Å; Y91-L186 HydrophobicContact CE2-CG 4.37Å; Y91-L199 HydrophobicContact CD1-CD1 3.83Å; Y91-L199 HydrophobicContact CE1-CB 4.39Å; Y91-L199 HydrophobicContact CE1-CD1 3.73Å |
| 92 | G | 90.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 8.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | H55 F90 | H55-G92 PolarHBondContact CE1-N 2.88Å; H55-G92 PolarHBondContact NE2-N 3.17Å; F90-G92 PolarHBondContact O-N 3.38Å |
| 93 | S | 92.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.5 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | Q89 F90 Y91 | Q89-S93 CarbonylContact C-O 3.6Å; Q89-S93 VanDerWaalsContact CA-O 3.29Å; Q89-S93 WeakPolarHBondContact CA-O 3.49Å; F90-S93 PolarHBondContact N-O 2.86Å; F90-S93 PolarHBondContact O-N 2.83Å; F90-S93 VanDerWaalsContact O-N 3.11Å; Y91-S93 PolarHBondContact O-N 3.34Å |
| 94 | D | 95.7 | Very high | 94.8 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135.6 | 179 | -58.3 | -37.8 | 0 | 0 | 0 | 111.2 | Q89 N109 | Q89-D94 WeakPolarHBondContact CG-OD1 3.33Å; Q89-D94 PolarHBondContact NE2-OD1 3.08Å; D94-N109 WeakPolarHBondContact O-CB 3.38Å; D94-N109 VanDerWaalsContact O-CG 3.31Å; D94-N109 PolarHBondContact O-ND2 3.1Å |
| 95 | V | 97.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | trans | -92.5 | 117.6 | 177 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | P84 F88 F90 R97 F107 L114 | P84-V95 HydrophobicContact CG-CG1 4.2Å; F88-V95 HydrophobicContact CD1-CB 4.47Å; F88-V95 HydrophobicContact CD2-CG2 4.1Å; F88-V95 HydrophobicContact CE1-CB 3.96Å; F88-V95 HydrophobicContact CE1-CG1 4.08Å; F88-V95 HydrophobicContact CE1-CG2 4.37Å; F88-V95 HydrophobicContact CE2-CB 4.08Å; F88-V95 HydrophobicContact CE2-CG1 4.46Å; F88-V95 HydrophobicContact CE2-CG2 3.57Å; F88-V95 HydrophobicContact CZ-CB 3.74Å; F88-V95 HydrophobicContact CZ-CG1 3.76Å; F88-V95 HydrophobicContact CZ-CG2 3.73Å; F88-V95 PolarHBondContact O-N 3.25Å; F88-V95 VanDerWaalsContact O-N 3.13Å; F90-V95 HydrophobicContact CB-CG2 3.68Å; V95-R97 VanDerWaalsContact CG1-O 3.29Å; V95-R97 WeakPolarHBondContact CG1-O 3.33Å; V95-F107 HydrophobicContact CG1-CB 4.35Å; V95-F107 HydrophobicContact CG1-CD1 4.19Å; V95-F107 HydrophobicContact CG2-CB 4.15Å; V95-F107 HydrophobicContact CG2-CD1 4.29Å; V95-L114 HydrophobicContact CG2-CD1 4.05Å | ||
| 96 | S | 97.2 | Very high | 94.9 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -92.2 | -27.5 | 176.6 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | M108 G110 | S96-M108 PolarHBondContact N-O 2.79Å; S96-M108 PolarHBondContact OG-O 3.02Å; S96-G110 PolarHBondContact OG-N 2.8Å |
| 97 | R | 97.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 160.5 | 176 | 69.4 | -178.4 | 178.4 | 105.7 | 0.3 | 110.3 | I82 V95 D99 M108 G110 | I82-R97 CarbonylContact O-C 3.45Å; I82-R97 WeakPolarHBondContact O-CA 3.38Å; I82-R97 WeakPolarHBondContact O-CB 3.47Å; V95-R97 VanDerWaalsContact CG1-O 3.29Å; V95-R97 WeakPolarHBondContact CG1-O 3.33Å; R97-D99 IonicContact CZ-OD1 2.75Å; R97-D99 IonicContact CZ-OD2 3.91Å; R97-D99 IonicContact NH1-OD1 2.72Å; R97-D99 PolarHBondContact NH1-OD1 2.87Å; R97-D99 IonicContact NH1-OD2 3.71Å; R97-D99 PolarHBondContact NH1-OD2 2.99Å; R97-M108 HydrophobicContact CG-CB 3.56Å; R97-M108 HydrophobicContact CG-CG 4.02Å; R97-M108 PolarHBondContact N-O 2.97Å; R97-M108 VanDerWaalsContact NH2-CE 3.32Å; R97-M108 PolarHBondContact O-N 3.31Å; R97-G110 PolarHBondContact NE-O 3.01Å |
| 98 | F | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146 | 168.4 | 63.7 | -85.2 | 0 | 0 | 0 | 110.8 | I82 P84 I100 I105 T106 F107 N133 L138 | I82-F98 HydrophobicContact CB-CD1 4.4Å; I82-F98 HydrophobicContact CB-CD2 4.27Å; I82-F98 HydrophobicContact CB-CE1 3.81Å; I82-F98 HydrophobicContact CB-CE2 3.65Å; I82-F98 HydrophobicContact CB-CZ 3.4Å; I82-F98 HydrophobicContact CD1-CE2 3.75Å; I82-F98 HydrophobicContact CD1-CZ 4.01Å; I82-F98 HydrophobicContact CG1-CE2 4.19Å; I82-F98 HydrophobicContact CG1-CZ 4.28Å; I82-F98 HydrophobicContact CG2-CE1 3.67Å; I82-F98 HydrophobicContact CG2-CE2 4.07Å; I82-F98 HydrophobicContact CG2-CZ 3.31Å; I82-F98 PolarHBondContact N-O 3.08Å; I82-F98 WeakPolarHBondContact O-CD1 3.44Å; I82-F98 PolarHBondContact O-N 3.34Å; P84-F98 HydrophobicContact CB-CE1 4.42Å; P84-F98 HydrophobicContact CG-CD1 3.75Å; P84-F98 HydrophobicContact CG-CE1 4.02Å; F98-I100 HydrophobicContact CD2-CD1 4.37Å; F98-I100 HydrophobicContact CD2-CG1 3.69Å; F98-I100 HydrophobicContact CE2-CD1 3.8Å; F98-I100 HydrophobicContact CE2-CG1 3.62Å; F98-I105 HydrophobicContact CB-CG2 3.67Å; F98-I105 HydrophobicContact CD2-CG2 3.83Å; F98-I105 HydrophobicContact CG-CG2 4.11Å; F98-T106 CarbonylContact C-O 3.59Å; F98-T106 VanDerWaalsContact CA-O 3.23Å; F98-T106 WeakPolarHBondContact CA-O 3.21Å; F98-F107 HydrophobicContact CB-CD1 4.2Å; F98-N133 HydrophobicContact CZ-CB 4.32Å; F98-L138 HydrophobicContact CD1-CD2 3.86Å; F98-L138 HydrophobicContact CD2-CD1 4.27Å; F98-L138 HydrophobicContact CD2-CD2 4.15Å; F98-L138 HydrophobicContact CE1-CD1 3.87Å; F98-L138 HydrophobicContact CE1-CD2 3.84Å; F98-L138 HydrophobicContact CE1-CG 4.49Å; F98-L138 HydrophobicContact CE2-CD1 3.46Å; F98-L138 VanDerWaalsContact CE2-CD1 3.46Å; F98-L138 HydrophobicContact CE2-CD2 4.11Å; F98-L138 HydrophobicContact CE2-CG 4.43Å; F98-L138 HydrophobicContact CG-CD2 4.01Å; F98-L138 HydrophobicContact CZ-CD1 3.21Å; F98-L138 HydrophobicContact CZ-CD2 3.96Å; F98-L138 HydrophobicContact CZ-CG 4.23Å |
| 99 | D | 96.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112.7 | -179.3 | -64.6 | -2.8 | 0 | 0 | 0 | 107.3 | R80 K81 R97 T106 | R80-D99 CarbonylContact O-C 3.57Å; R80-D99 WeakPolarHBondContact O-CA 3.2Å; K81-D99 WeakPolarHBondContact CG-OD1 3.43Å; R97-D99 IonicContact CZ-OD1 2.75Å; R97-D99 IonicContact CZ-OD2 3.91Å; R97-D99 IonicContact NH1-OD1 2.72Å; R97-D99 PolarHBondContact NH1-OD1 2.87Å; R97-D99 IonicContact NH1-OD2 3.71Å; R97-D99 PolarHBondContact NH1-OD2 2.99Å; D99-T106 PolarHBondContact N-O 3.07Å; D99-T106 PolarHBondContact O-N 2.84Å |
| 100 | I | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.8 | 175.3 | -42.6 | -178.3 | 0 | 0 | 0 | 108.8 | F76 P79 R80 I82 F98 I105 F131 H140 | F76-I100 HydrophobicContact CE1-CG2 4.32Å; F76-I100 HydrophobicContact CE2-CB 4.04Å; F76-I100 HydrophobicContact CE2-CG2 3.98Å; F76-I100 HydrophobicContact CZ-CB 3.94Å; F76-I100 HydrophobicContact CZ-CD1 4.3Å; F76-I100 HydrophobicContact CZ-CG2 3.41Å; F76-I100 VanDerWaalsContact CZ-CG2 3.41Å; P79-I100 VanDerWaalsContact CA-O 3.31Å; P79-I100 WeakPolarHBondContact CA-O 3.44Å; R80-I100 PolarHBondContact N-O 2.85Å; R80-I100 PolarHBondContact O-N 2.8Å; I82-I100 HydrophobicContact CD1-CD1 3.71Å; I82-I100 HydrophobicContact CD1-CG1 4.15Å; F98-I100 HydrophobicContact CD2-CD1 4.37Å; F98-I100 HydrophobicContact CD2-CG1 3.69Å; F98-I100 HydrophobicContact CE2-CD1 3.8Å; F98-I100 HydrophobicContact CE2-CG1 3.62Å; I100-I105 HydrophobicContact CG2-CG1 4.47Å; I100-F131 HydrophobicContact CD1-CB 3.35Å; I100-F131 HydrophobicContact CD1-CD2 3.96Å; I100-F131 HydrophobicContact CD1-CG 3.66Å; I100-H140 HydrophobicContact CG2-CB 4.39Å; I100-H140 VanDerWaalsContact CG2-CD2 3.44Å; I100-H140 WeakPolarHBondContact CG2-CD2 3.11Å |
| 101 | G | 93.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | trans | -106.1 | -167.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y103 G104 | G101-Y103 VanDerWaalsContact C-N 3.26Å; G101-Y103 PolarHBondContact O-N 2.94Å; G101-G104 PolarHBondContact N-O 2.84Å | ||
| 102 | Y | 91.7 | Very high | 94.8 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -65.9 | -23 | -179.8 | -63.7 | -77.1 | 0 | 0 | 0 | 114.5 | P78 Y129 | P78-Y102 HydrophobicContact CB-CD1 4.03Å; P78-Y102 HydrophobicContact CB-CE1 4.1Å; P78-Y102 HydrophobicContact CB-CG 4.29Å; P78-Y102 HydrophobicContact CG-CD1 4.06Å; P78-Y102 HydrophobicContact CG-CE1 4.33Å; Y102-Y129 HydrophobicContact CD1-CE2 4.3Å; Y102-Y129 AromaticContact CD1-CZ 3.92Å; Y102-Y129 WeakPolarHBondContact CD1-OH 3.33Å; Y102-Y129 WeakPolarHBondContact O-CE1 3.4Å |
| 103 | Y | 90 | Very high | 95 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 37% | 0.373 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -125.1 | 0.9 | -171.4 | -54.3 | -59.2 | 0 | 0 | 0 | 113.2 | G101 S118 S119 Y120 I124 | G101-Y103 VanDerWaalsContact C-N 3.26Å; G101-Y103 PolarHBondContact O-N 2.94Å; Y103-S118 CarbonylContact O-C 3.5Å; Y103-S118 VanDerWaalsContact O-CA 3.27Å; Y103-S118 WeakPolarHBondContact O-CA 3.3Å; Y103-S119 PolarHBondContact O-N 3.48Å; Y103-Y120 AromaticContact CD1-CD2 3.77Å; Y103-Y120 HydrophobicContact CD1-CD2 3.77Å; Y103-Y120 AromaticContact CD2-CD2 3.87Å; Y103-Y120 HydrophobicContact CD2-CD2 3.87Å; Y103-Y120 AromaticContact CE1-CD2 3.6Å; Y103-Y120 HydrophobicContact CE1-CD2 3.6Å; Y103-Y120 AromaticContact CE1-CE2 4Å; Y103-Y120 HydrophobicContact CE1-CE2 4Å; Y103-Y120 AromaticContact CE2-CD2 3.71Å; Y103-Y120 HydrophobicContact CE2-CD2 3.71Å; Y103-Y120 AromaticContact CE2-CE2 3.94Å; Y103-Y120 HydrophobicContact CE2-CE2 3.94Å; Y103-Y120 AromaticContact CG-CD2 3.9Å; Y103-Y120 HydrophobicContact CG-CD2 3.9Å; Y103-Y120 AromaticContact CZ-CD2 3.57Å; Y103-Y120 AromaticContact CZ-CE2 3.63Å; Y103-I124 HydrophobicContact CD1-CD1 4.17Å; Y103-I124 HydrophobicContact CE1-CD1 4.19Å |
| 104 | G | 94.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -162.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G101 I117 | G101-G104 PolarHBondContact N-O 2.84Å; G104-I117 CarbonylContact C-O 3.54Å; G104-I117 WeakPolarHBondContact CA-O 3.18Å |
| 105 | I | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.5 | -176.6 | -52.9 | 168 | 0 | 0 | 0 | 108.7 | F98 I100 F107 S116 I117 H140 H159 I161 | F98-I105 HydrophobicContact CB-CG2 3.67Å; F98-I105 HydrophobicContact CD2-CG2 3.83Å; F98-I105 HydrophobicContact CG-CG2 4.11Å; I100-I105 HydrophobicContact CG2-CG1 4.47Å; I105-F107 HydrophobicContact CB-CZ 4.26Å; I105-F107 HydrophobicContact CG2-CD1 4.22Å; I105-F107 HydrophobicContact CG2-CE1 3.8Å; I105-F107 HydrophobicContact CG2-CZ 3.97Å; I105-S116 CarbonylContact O-C 3.53Å; I105-S116 WeakPolarHBondContact O-CA 3.4Å; I105-S116 VanDerWaalsContact O-CB 3.26Å; I105-S116 WeakPolarHBondContact O-CB 3.33Å; I105-I117 HydrophobicContact CB-CG2 3.9Å; I105-I117 HydrophobicContact CD1-CG2 4.34Å; I105-I117 HydrophobicContact CG1-CG2 4.34Å; I105-I117 PolarHBondContact N-O 2.83Å; I105-I117 PolarHBondContact O-N 2.8Å; I105-H140 HydrophobicContact CD1-CB 3.65Å; I105-H140 HydrophobicContact CG1-CB 3.77Å; I105-H159 HydrophobicContact CD1-CB 4.42Å; I105-I161 HydrophobicContact CD1-CD1 3.7Å |
| 106 | T | 97.4 | Very high | 95 | Very high | 38 Ų | 38 | 40 Ų | 40 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.6 | 169.3 | -61 | 0 | 0 | 0 | 0 | 109.5 | F98 D99 M108 E113 G115 | F98-T106 CarbonylContact C-O 3.59Å; F98-T106 VanDerWaalsContact CA-O 3.23Å; F98-T106 WeakPolarHBondContact CA-O 3.21Å; D99-T106 PolarHBondContact N-O 3.07Å; D99-T106 PolarHBondContact O-N 2.84Å; T106-M108 HydrophobicContact CG2-SD 3.83Å; T106-E113 HydrophobicContact CG2-CG 3.67Å; T106-G115 CarbonylContact C-O 3.51Å; T106-G115 WeakPolarHBondContact CA-O 3.43Å |
| 107 | F | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.7 | -178.5 | -56.2 | -77.9 | 0 | 0 | 0 | 110.6 | F88 F90 V95 F98 I105 L114 G115 I117 L138 I161 | F88-F107 HydrophobicContact CE2-CD1 4.05Å; F88-F107 AromaticContact CE2-CE1 3.96Å; F88-F107 HydrophobicContact CE2-CE1 3.96Å; F88-F107 AromaticContact CZ-CD1 3.88Å; F88-F107 HydrophobicContact CZ-CD1 3.88Å; F88-F107 AromaticContact CZ-CE1 3.84Å; F88-F107 HydrophobicContact CZ-CE1 3.84Å; F90-F107 HydrophobicContact CB-CB 4.37Å; F90-F107 HydrophobicContact CB-CG 4.4Å; F90-F107 HydrophobicContact CD1-CB 4.1Å; F90-F107 AromaticContact CD1-CD2 3.91Å; F90-F107 HydrophobicContact CD1-CD2 3.91Å; F90-F107 HydrophobicContact CD1-CG 4.27Å; F90-F107 AromaticContact CD2-CD2 3.58Å; F90-F107 HydrophobicContact CD2-CD2 3.58Å; F90-F107 AromaticContact CD2-CE2 3.72Å; F90-F107 HydrophobicContact CD2-CE2 3.72Å; F90-F107 HydrophobicContact CD2-CG 4.14Å; F90-F107 HydrophobicContact CD2-CZ 4.39Å; F90-F107 AromaticContact CE1-CD2 3.84Å; F90-F107 HydrophobicContact CE1-CD2 3.84Å; F90-F107 AromaticContact CE2-CD2 3.51Å; F90-F107 HydrophobicContact CE2-CD2 3.51Å; F90-F107 AromaticContact CE2-CE2 3.46Å; F90-F107 HydrophobicContact CE2-CE2 3.46Å; F90-F107 VanDerWaalsContact CE2-CE2 3.46Å; F90-F107 HydrophobicContact CE2-CG 4.49Å; F90-F107 HydrophobicContact CE2-CZ 4.41Å; F90-F107 HydrophobicContact CG-CB 4.18Å; F90-F107 AromaticContact CG-CD2 3.77Å; F90-F107 HydrophobicContact CG-CD2 3.77Å; F90-F107 HydrophobicContact CG-CE2 4.38Å; F90-F107 HydrophobicContact CG-CG 4.02Å; F90-F107 AromaticContact CZ-CD2 3.65Å; F90-F107 HydrophobicContact CZ-CD2 3.65Å; F90-F107 AromaticContact CZ-CE2 3.93Å; F90-F107 HydrophobicContact CZ-CE2 3.93Å; V95-F107 HydrophobicContact CG1-CB 4.35Å; V95-F107 HydrophobicContact CG1-CD1 4.19Å; V95-F107 HydrophobicContact CG2-CB 4.15Å; V95-F107 HydrophobicContact CG2-CD1 4.29Å; F98-F107 HydrophobicContact CB-CD1 4.2Å; I105-F107 HydrophobicContact CB-CZ 4.26Å; I105-F107 HydrophobicContact CG2-CD1 4.22Å; I105-F107 HydrophobicContact CG2-CE1 3.8Å; I105-F107 HydrophobicContact CG2-CZ 3.97Å; F107-L114 HydrophobicContact CB-CB 4.44Å; F107-L114 PolarHBondContact O-N 3.1Å; F107-G115 PolarHBondContact N-O 3.11Å; F107-I117 HydrophobicContact CE2-CB 4.38Å; F107-I117 HydrophobicContact CE2-CG2 3.98Å; F107-I117 HydrophobicContact CZ-CG2 4.08Å; F107-L138 HydrophobicContact CE1-CD2 4.44Å; F107-I161 HydrophobicContact CE1-CD1 4.31Å; F107-I161 HydrophobicContact CE1-CG1 4.38Å; F107-I161 HydrophobicContact CZ-CD1 3.96Å; F107-I161 HydrophobicContact CZ-CG1 4.05Å |
| 108 | M | 97.2 | Very high | 95 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.069 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.3 | -174.8 | -51.1 | -66 | -66.9 | 0 | 0 | 111.2 | S96 R97 T106 S111 K112 E113 | S96-M108 PolarHBondContact N-O 2.79Å; S96-M108 PolarHBondContact OG-O 3.02Å; R97-M108 HydrophobicContact CG-CB 3.56Å; R97-M108 HydrophobicContact CG-CG 4.02Å; R97-M108 PolarHBondContact N-O 2.97Å; R97-M108 VanDerWaalsContact NH2-CE 3.32Å; R97-M108 PolarHBondContact O-N 3.31Å; T106-M108 HydrophobicContact CG2-SD 3.83Å; M108-S111 WeakPolarHBondContact CE-O 3.49Å; M108-K112 CarbonylContact C-O 3.58Å; M108-K112 VanDerWaalsContact CA-O 3.28Å; M108-K112 WeakPolarHBondContact CA-O 3.26Å; M108-E113 HydrophobicContact CE-CB 3.97Å; M108-E113 VanDerWaalsContact SD-CA 3.55Å; M108-E113 HydrophobicContact SD-CB 3.77Å; M108-E113 HydrophobicContact SD-CG 3.99Å |
| 109 | N | 95.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104 | 164.3 | -172.7 | -25.6 | 0 | 0 | 0 | 108.4 | D94 S111 K112 L114 | D94-N109 WeakPolarHBondContact O-CB 3.38Å; D94-N109 VanDerWaalsContact O-CG 3.31Å; D94-N109 PolarHBondContact O-ND2 3.1Å; N109-S111 PolarHBondContact O-N 3.21Å; N109-K112 PolarHBondContact N-O 2.84Å; N109-K112 WeakPolarHBondContact O-CB 3.2Å; N109-K112 PolarHBondContact O-N 2.81Å; N109-L114 HydrophobicContact CB-CD1 4.13Å; N109-L114 HydrophobicContact CB-CD2 3.95Å; N109-L114 HydrophobicContact CB-CG 4.18Å |
| 110 | G | 92.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 39 Ų | 39 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -116.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S96 R97 | S96-G110 PolarHBondContact OG-N 2.8Å; R97-G110 PolarHBondContact NE-O 3.01Å |
| 111 | S | 91.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 39.1 Ų | 39.1 | 83% | 0.825 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.3 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | M108 N109 | M108-S111 WeakPolarHBondContact CE-O 3.49Å; N109-S111 PolarHBondContact O-N 3.21Å |
| 112 | K | 91.9 | Very high | 94.2 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128.5 | -177.3 | -176.8 | -175.6 | 174.8 | -167 | 0 | 110.9 | M108 N109 L114 | M108-K112 CarbonylContact C-O 3.58Å; M108-K112 VanDerWaalsContact CA-O 3.28Å; M108-K112 WeakPolarHBondContact CA-O 3.26Å; N109-K112 PolarHBondContact N-O 2.84Å; N109-K112 WeakPolarHBondContact O-CB 3.2Å; N109-K112 PolarHBondContact O-N 2.81Å; K112-L114 HydrophobicContact CD-CD2 4.34Å |
| 113 | E | 94.2 | Very high | 94 | Very high | 102 Ų | 102 | 38.2 Ų | 38.2 | 48% | 0.477 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.1 | 166.9 | -174.5 | 173.7 | 153 | 0 | 0 | 109.7 | T106 M108 | T106-E113 HydrophobicContact CG2-CG 3.67Å; M108-E113 HydrophobicContact CE-CB 3.97Å; M108-E113 VanDerWaalsContact SD-CA 3.55Å; M108-E113 HydrophobicContact SD-CB 3.77Å; M108-E113 HydrophobicContact SD-CG 3.99Å |
| 114 | L | 94.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -29.5 | 174.9 | -56.1 | 179.7 | 0 | 0 | 0 | 111.3 | F90 V95 F107 N109 K112 G188 S189 | F90-L114 HydrophobicContact CB-CD1 4.38Å; F90-L114 HydrophobicContact CD1-CB 3.88Å; V95-L114 HydrophobicContact CG2-CD1 4.05Å; F107-L114 HydrophobicContact CB-CB 4.44Å; F107-L114 PolarHBondContact O-N 3.1Å; N109-L114 HydrophobicContact CB-CD1 4.13Å; N109-L114 HydrophobicContact CB-CD2 3.95Å; N109-L114 HydrophobicContact CB-CG 4.18Å; K112-L114 HydrophobicContact CD-CD2 4.34Å; L114-G188 WeakPolarHBondContact O-CA 2.94Å; L114-S189 PolarHBondContact O-N 2.75Å; L114-S189 VanDerWaalsContact O-N 3.14Å |
| 115 | G | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -160.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T106 F107 S187 | T106-G115 CarbonylContact C-O 3.51Å; T106-G115 WeakPolarHBondContact CA-O 3.43Å; F107-G115 PolarHBondContact N-O 3.11Å; G115-S187 CarbonylContact C-O 3.54Å; G115-S187 VanDerWaalsContact CA-O 3.27Å; G115-S187 WeakPolarHBondContact CA-O 3.37Å |
| 116 | S | 96.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.1 | -172.6 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | I105 L186 S187 | I105-S116 CarbonylContact O-C 3.53Å; I105-S116 WeakPolarHBondContact O-CA 3.4Å; I105-S116 VanDerWaalsContact O-CB 3.26Å; I105-S116 WeakPolarHBondContact O-CB 3.33Å; S116-L186 CarbonylContact O-C 3.56Å; S116-S187 PolarHBondContact N-O 3.28Å; S116-S187 PolarHBondContact O-N 3.22Å |
| 117 | I | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.9 | 161.6 | -170.3 | 173.6 | 0 | 0 | 0 | 107.9 | G104 I105 F107 H159 I167 V169 L186 | G104-I117 CarbonylContact C-O 3.54Å; G104-I117 WeakPolarHBondContact CA-O 3.18Å; I105-I117 HydrophobicContact CB-CG2 3.9Å; I105-I117 HydrophobicContact CD1-CG2 4.34Å; I105-I117 HydrophobicContact CG1-CG2 4.34Å; I105-I117 PolarHBondContact N-O 2.83Å; I105-I117 PolarHBondContact O-N 2.8Å; F107-I117 HydrophobicContact CE2-CB 4.38Å; F107-I117 HydrophobicContact CE2-CG2 3.98Å; F107-I117 HydrophobicContact CZ-CG2 4.08Å; I117-H159 HydrophobicContact CD1-CB 4.17Å; I117-H159 HydrophobicContact CG2-CB 4.3Å; I117-I167 HydrophobicContact CD1-CG2 3.37Å; I117-V169 HydrophobicContact CD1-CG2 3.5Å; I117-V169 VanDerWaalsContact CD1-CG2 3.5Å; I117-V169 HydrophobicContact CG1-CG2 4.21Å; I117-L186 HydrophobicContact CB-CD1 3.75Å; I117-L186 HydrophobicContact CD1-CD1 4.25Å; I117-L186 HydrophobicContact CG1-CD1 3.98Å |
| 118 | S | 95.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 149.3 | -173.7 | 58.4 | 0 | 0 | 0 | 0 | 113 | Y103 S184 R185 | Y103-S118 CarbonylContact O-C 3.5Å; Y103-S118 VanDerWaalsContact O-CA 3.27Å; Y103-S118 WeakPolarHBondContact O-CA 3.3Å; S118-S184 CarbonylContact O-C 3.53Å; S118-S184 WeakPolarHBondContact O-CA 3.28Å; S118-R185 PolarHBondContact N-O 2.83Å; S118-R185 PolarHBondContact O-N 2.99Å; S118-R185 WeakPolarHBondContact OG-CG 3.42Å |
| 119 | S | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 114.2 | 172.2 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | Y103 H159 Q183 S184 | Y103-S119 PolarHBondContact O-N 3.48Å; S119-H159 PolarHBondContact OG-NE2 2.94Å; S119-H159 VanDerWaalsContact OG-NE2 3.11Å; S119-Q183 WeakPolarHBondContact CA-O 3.49Å; S119-S184 PolarHBondContact OG-OG 3.47Å |
| 120 | Y | 92.3 | Very high | 92.8 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140 | -173.5 | 172.2 | -98.5 | 0 | 0 | 0 | 111.6 | Y103 F182 Q183 | Y103-Y120 AromaticContact CD1-CD2 3.77Å; Y103-Y120 HydrophobicContact CD1-CD2 3.77Å; Y103-Y120 AromaticContact CD2-CD2 3.87Å; Y103-Y120 HydrophobicContact CD2-CD2 3.87Å; Y103-Y120 AromaticContact CE1-CD2 3.6Å; Y103-Y120 HydrophobicContact CE1-CD2 3.6Å; Y103-Y120 AromaticContact CE1-CE2 4Å; Y103-Y120 HydrophobicContact CE1-CE2 4Å; Y103-Y120 AromaticContact CE2-CD2 3.71Å; Y103-Y120 HydrophobicContact CE2-CD2 3.71Å; Y103-Y120 AromaticContact CE2-CE2 3.94Å; Y103-Y120 HydrophobicContact CE2-CE2 3.94Å; Y103-Y120 AromaticContact CG-CD2 3.9Å; Y103-Y120 HydrophobicContact CG-CD2 3.9Å; Y103-Y120 AromaticContact CZ-CD2 3.57Å; Y103-Y120 AromaticContact CZ-CE2 3.63Å; Y120-F182 WeakPolarHBondContact O-CA 3.21Å; Y120-Q183 PolarHBondContact N-O 3.22Å; Y120-Q183 PolarHBondContact O-N 3Å |
| 121 | S | 90.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -148.8 | 146.1 | 164.1 | 167.5 | 0 | 0 | 0 | 0 | 108.6 | D123 Q181 | S121-D123 PolarHBondContact O-N 3.23Å; S121-D123 PolarHBondContact OG-N 2.97Å; S121-D123 VanDerWaalsContact OG-N 3.08Å; S121-Q181 WeakPolarHBondContact CB-O 3.17Å; S121-Q181 PolarHBondContact OG-O 3.44Å | ||
| 122 | S | 88.8 | Confident | 93 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.4 | 172.6 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 123 | D | 87.2 | Confident | 93.1 | Very high | 37 Ų | 37 | 40 Ų | 40 | 20% | 0.198 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.8 | -173.3 | -55.2 | -49.9 | 0 | 0 | 0 | 113 | S121 Y125 N146 K147 Q181 | S121-D123 PolarHBondContact O-N 3.23Å; S121-D123 PolarHBondContact OG-N 2.97Å; S121-D123 VanDerWaalsContact OG-N 3.08Å; D123-Y125 PolarHBondContact O-N 3.13Å; D123-N146 WeakPolarHBondContact CB-OD1 3.3Å; D123-N146 WeakPolarHBondContact O-CA 2.96Å; D123-K147 HydrophobicContact CB-CB 4.35Å; D123-K147 PolarHBondContact O-N 2.82Å; D123-Q181 PolarHBondContact OD2-OE1 3.18Å; D123-Q181 VanDerWaalsContact OD2-OE1 3.09Å |
| 124 | I | 87.8 | Confident | 93.1 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 118.7 | 171.8 | -65.2 | 168.6 | 0 | 0 | 0 | 109 | Y103 P127 L142 F144 F182 | Y103-I124 HydrophobicContact CD1-CD1 4.17Å; Y103-I124 HydrophobicContact CE1-CD1 4.19Å; I124-P127 HydrophobicContact CG2-CB 3.94Å; I124-P127 HydrophobicContact CG2-CG 4.36Å; I124-L142 HydrophobicContact CD1-CD2 4.2Å; I124-F144 HydrophobicContact CB-CD2 4.28Å; I124-F144 HydrophobicContact CG1-CD2 4.02Å; I124-F144 HydrophobicContact CG1-CE2 4.12Å; I124-F144 HydrophobicContact CG1-CG 4.42Å; I124-F144 HydrophobicContact CG2-CB 3.82Å; I124-F144 HydrophobicContact CG2-CD2 4.11Å; I124-F144 HydrophobicContact CG2-CG 4Å; I124-F182 HydrophobicContact CD1-CE1 3.89Å; I124-F182 HydrophobicContact CD1-CZ 4.25Å; I124-F182 HydrophobicContact CG1-CE1 4Å; I124-F182 HydrophobicContact CG1-CZ 3.82Å |
| 125 | Y | 86.9 | Confident | 93 | Very high | 143 Ų | 143 | 44.8 Ų | 44.8 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.3 | 179.2 | -175.3 | -101.3 | 0 | 0 | 0 | 110.9 | D123 Q145 | D123-Y125 PolarHBondContact O-N 3.13Å; Y125-Q145 WeakPolarHBondContact CA-O 3.35Å; Y125-Q145 WeakPolarHBondContact CB-O 3.39Å; Y125-Q145 HydrophobicContact CD1-CB 4.37Å; Y125-Q145 PolarHBondContact N-O 3.07Å; Y125-Q145 PolarHBondContact O-N 2.02Å; Y125-Q145 VanDerWaalsContact O-O 3.04Å |
| 126 | S | 88.7 | Confident | 92.8 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.9 | 55.3 | -178.5 | -158.5 | 0 | 0 | 0 | 0 | 114 | ||
| 127 | P | 93.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139 | -177.3 | 31.5 | -35.7 | 0 | 0 | 0 | 111.7 | I124 Y129 L142 S143 F144 | I124-P127 HydrophobicContact CG2-CB 3.94Å; I124-P127 HydrophobicContact CG2-CG 4.36Å; P127-Y129 HydrophobicContact CB-CE1 4.16Å; P127-Y129 HydrophobicContact CB-CE2 3.96Å; P127-Y129 VanDerWaalsContact CB-OH 3.29Å; P127-Y129 WeakPolarHBondContact CB-OH 3.44Å; P127-Y129 HydrophobicContact CG-CE2 3.98Å; P127-Y129 WeakPolarHBondContact CG-OH 3.29Å; P127-L142 HydrophobicContact CB-CD1 3.78Å; P127-S143 CarbonylContact C-O 3.58Å; P127-S143 WeakPolarHBondContact CA-O 3.39Å; P127-F144 HydrophobicContact CB-CB 4.42Å |
| 128 | Q | 95.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.7 | 169.4 | -62.2 | -174.3 | 19.7 | 0 | 0 | 108.8 | S143 | Q128-S143 PolarHBondContact N-O 3.33Å; Q128-S143 PolarHBondContact O-N 3.49Å |
| 129 | Y | 96.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 11% | 0.106 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.2 | -174.3 | -52.2 | -81.8 | 0 | 0 | 0 | 110.3 | K75 F76 P78 Y102 P127 L142 | K75-Y129 WeakPolarHBondContact CA-O 3.41Å; F76-Y129 WeakPolarHBondContact CD1-O 3.45Å; F76-Y129 HydrophobicContact CZ-CG 4.37Å; F76-Y129 PolarHBondContact N-O 2.82Å; F76-Y129 VanDerWaalsContact N-O 3.1Å; P78-Y129 HydrophobicContact CG-CD1 3.84Å; P78-Y129 HydrophobicContact CG-CD2 3.51Å; P78-Y129 HydrophobicContact CG-CE1 4.09Å; P78-Y129 HydrophobicContact CG-CE2 3.77Å; P78-Y129 HydrophobicContact CG-CG 3.54Å; Y102-Y129 HydrophobicContact CD1-CE2 4.3Å; Y102-Y129 AromaticContact CD1-CZ 3.92Å; Y102-Y129 WeakPolarHBondContact CD1-OH 3.33Å; Y102-Y129 WeakPolarHBondContact O-CE1 3.4Å; P127-Y129 HydrophobicContact CB-CE1 4.16Å; P127-Y129 HydrophobicContact CB-CE2 3.96Å; P127-Y129 VanDerWaalsContact CB-OH 3.29Å; P127-Y129 WeakPolarHBondContact CB-OH 3.44Å; P127-Y129 HydrophobicContact CG-CE2 3.98Å; P127-Y129 WeakPolarHBondContact CG-OH 3.29Å; Y129-L142 HydrophobicContact CD1-CD1 3.93Å; Y129-L142 HydrophobicContact CE1-CD1 3.59Å |
| 130 | E | 94.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.8 | 178.6 | -67.6 | 174.2 | 110.5 | 0 | 0 | 109.1 | F73 E74 K75 H140 R141 | F73-E130 HydrophobicContact CB-CB 4.11Å; F73-E130 HydrophobicContact CD1-CB 3.78Å; F73-E130 HydrophobicContact CG-CB 4.26Å; E74-E130 VanDerWaalsContact O-CA 3.3Å; E74-E130 WeakPolarHBondContact O-CA 3.42Å; K75-E130 HydrophobicContact CG-CG 4.05Å; E130-H140 PolarHBondContact O-CD2 2.04Å; E130-R141 HydrophobicContact CB-CB 4.23Å; E130-R141 PolarHBondContact N-O 2.97Å; E130-R141 PolarHBondContact O-N 2.87Å; E130-R141 IonicContact OE1-CZ 2.72Å; E130-R141 IonicContact OE1-NH2 2.7Å; E130-R141 PolarHBondContact OE1-NH2 3.06Å; E130-R141 IonicContact OE2-CZ 2.89Å; E130-R141 VanDerWaalsContact OE2-CZ 3.23Å; E130-R141 IonicContact OE2-NE 3.89Å; E130-R141 PolarHBondContact OE2-NE 2.9Å; E130-R141 IonicContact OE2-NH2 2.85Å; E130-R141 PolarHBondContact OE2-NH2 3.37Å |
| 131 | F | 95 | Very high | 92.5 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 161.4 | 173.4 | 81.3 | -71.1 | 0 | 0 | 0 | 111.1 | F73 E74 F76 I82 I100 N133 A139 | F73-F131 WeakPolarHBondContact CA-O 3.47Å; E74-F131 HydrophobicContact CB-CD1 4.25Å; E74-F131 HydrophobicContact CB-CE1 3.65Å; E74-F131 HydrophobicContact CB-CZ 4.14Å; E74-F131 PolarHBondContact N-O 3.39Å; E74-F131 WeakPolarHBondContact O-CD1 3.33Å; E74-F131 PolarHBondContact O-N 2.84Å; E74-F131 WeakPolarHBondContact OE2-CZ 3.13Å; F76-F131 HydrophobicContact CB-CD1 4.23Å; F76-F131 HydrophobicContact CB-CE1 4.23Å; F76-F131 HydrophobicContact CD1-CB 4.33Å; F76-F131 AromaticContact CD1-CD1 3.49Å; F76-F131 HydrophobicContact CD1-CD1 3.49Å; F76-F131 VanDerWaalsContact CD1-CD1 3.49Å; F76-F131 HydrophobicContact CD1-CE1 4.31Å; F76-F131 HydrophobicContact CD1-CG 4.31Å; F76-F131 HydrophobicContact CE1-CB 4.05Å; F76-F131 HydrophobicContact CE1-CD1 4.06Å; F76-F131 HydrophobicContact CE1-CG 4.46Å; F76-F131 AromaticContact CG-CD1 3.97Å; F76-F131 HydrophobicContact CG-CD1 3.97Å; F76-F131 HydrophobicContact CG-CE1 4.42Å; I82-F131 HydrophobicContact CD1-CD2 3.58Å; I82-F131 HydrophobicContact CD1-CE2 3.49Å; I82-F131 VanDerWaalsContact CD1-CE2 3.49Å; I82-F131 HydrophobicContact CD1-CG 4.26Å; I82-F131 HydrophobicContact CD1-CZ 4.1Å; I100-F131 HydrophobicContact CD1-CB 3.35Å; I100-F131 HydrophobicContact CD1-CD2 3.96Å; I100-F131 HydrophobicContact CD1-CG 3.66Å; F131-N133 HydrophobicContact CD2-CB 4.46Å; F131-N133 HydrophobicContact CE2-CB 4.35Å; F131-A139 CarbonylContact C-O 3.55Å; F131-A139 WeakPolarHBondContact CA-O 3.09Å; F131-A139 WeakPolarHBondContact CB-O 3.1Å |
| 132 | S | 94.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 134.6 | 170.8 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | C71 K72 E134 L138 A139 | C71-S132 WeakPolarHBondContact SG-CB 3.43Å; C71-S132 PolarHBondContact SG-OG 2.79Å; K72-S132 WeakPolarHBondContact O-CB 3.19Å; K72-S132 PolarHBondContact O-OG 2.95Å; S132-E134 WeakPolarHBondContact OG-CG 3.28Å; S132-E134 PolarHBondContact OG-OE1 3.2Å; S132-L138 CarbonylContact O-C 3.55Å; S132-L138 WeakPolarHBondContact O-CA 3.12Å; S132-L138 WeakPolarHBondContact O-CD1 3.37Å; S132-A139 PolarHBondContact N-O 3.15Å; S132-A139 PolarHBondContact O-N 3.37Å |
| 133 | N | 95.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 91.7 | 179.2 | 178.7 | 34.8 | 0 | 0 | 0 | 107 | I82 I83 K85 F98 F131 L138 | I82-N133 HydrophobicContact CG2-CB 4.43Å; I82-N133 VanDerWaalsContact CG2-ND2 3.34Å; I82-N133 WeakPolarHBondContact CG2-ND2 3.3Å; I83-N133 PolarHBondContact O-ND2 3.22Å; K85-N133 WeakPolarHBondContact CD-O 3.27Å; K85-N133 WeakPolarHBondContact CE-O 3.01Å; K85-N133 PolarHBondContact N-OD1 2.87Å; K85-N133 PolarHBondContact NZ-O 3.5Å; F98-N133 HydrophobicContact CZ-CB 4.32Å; F131-N133 HydrophobicContact CD2-CB 4.46Å; F131-N133 HydrophobicContact CE2-CB 4.35Å; N133-L138 HydrophobicContact CB-CD1 4.4Å |
| 134 | E | 93.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 169 | -178.1 | -54.3 | -54.2 | 165.5 | 0 | 0 | 110.7 | K85 F86 S132 N136 L137 | K85-E134 IonicContact NZ-OE2 3.89Å; K85-E134 PolarHBondContact NZ-OE2 2.79Å; F86-E134 WeakPolarHBondContact CD1-O 3.46Å; F86-E134 WeakPolarHBondContact CE1-O 3.11Å; S132-E134 WeakPolarHBondContact OG-CG 3.28Å; S132-E134 PolarHBondContact OG-OE1 3.2Å; E134-N136 PolarHBondContact O-N 2.88Å; E134-L137 CarbonylContact C-O 3.57Å; E134-L137 PolarHBondContact N-O 3.26Å; E134-L137 PolarHBondContact O-N 2.9Å |
| 135 | E | 92.6 | Very high | 93.3 | Very high | 143 Ų | 143 | 44 Ų | 44 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.1 | -178.6 | -64.5 | 179.5 | 174 | 0 | 0 | 112.9 | K85 F86 | K85-E135 HydrophobicContact CB-CG 4.48Å; K85-E135 HydrophobicContact CD-CG 4.5Å; F86-E135 WeakPolarHBondContact CB-O 3.33Å; F86-E135 WeakPolarHBondContact CD1-O 3.08Å |
| 136 | N | 91 | Very high | 93.2 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 66% | 0.663 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -3.8 | -175.7 | -67 | -28.9 | 0 | 0 | 0 | 114.2 | E134 P163 | E134-N136 PolarHBondContact O-N 2.88Å; N136-P163 WeakPolarHBondContact O-CD 3.5Å |
| 137 | L | 93.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 154.8 | 178.4 | 68.3 | 84.2 | 0 | 0 | 0 | 113 | E134 A139 L160 I161 L162 | E134-L137 CarbonylContact C-O 3.57Å; E134-L137 PolarHBondContact N-O 3.26Å; E134-L137 PolarHBondContact O-N 2.9Å; L137-A139 HydrophobicContact CD1-CB 4.02Å; L137-L160 HydrophobicContact CB-CD1 3.94Å; L137-L160 HydrophobicContact CD1-CD1 4.17Å; L137-L160 HydrophobicContact CD2-CD1 4.43Å; L137-L160 HydrophobicContact CG-CD1 4.42Å; L137-I161 WeakPolarHBondContact CA-O 3.35Å; L137-L162 HydrophobicContact CB-CD2 4.02Å |
| 138 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.4 | 166.7 | 165.3 | 62.2 | 0 | 0 | 0 | 108 | F86 F88 F98 F107 S132 N133 L160 I161 | F86-L138 HydrophobicContact CE1-CB 4.04Å; F86-L138 HydrophobicContact CZ-CB 3.86Å; F88-L138 HydrophobicContact CZ-CD2 4.42Å; F98-L138 HydrophobicContact CD1-CD2 3.86Å; F98-L138 HydrophobicContact CD2-CD1 4.27Å; F98-L138 HydrophobicContact CD2-CD2 4.15Å; F98-L138 HydrophobicContact CE1-CD1 3.87Å; F98-L138 HydrophobicContact CE1-CD2 3.84Å; F98-L138 HydrophobicContact CE1-CG 4.49Å; F98-L138 HydrophobicContact CE2-CD1 3.46Å; F98-L138 VanDerWaalsContact CE2-CD1 3.46Å; F98-L138 HydrophobicContact CE2-CD2 4.11Å; F98-L138 HydrophobicContact CE2-CG 4.43Å; F98-L138 HydrophobicContact CG-CD2 4.01Å; F98-L138 HydrophobicContact CZ-CD1 3.21Å; F98-L138 HydrophobicContact CZ-CD2 3.96Å; F98-L138 HydrophobicContact CZ-CG 4.23Å; F107-L138 HydrophobicContact CE1-CD2 4.44Å; S132-L138 CarbonylContact O-C 3.55Å; S132-L138 WeakPolarHBondContact O-CA 3.12Å; S132-L138 WeakPolarHBondContact O-CD1 3.37Å; N133-L138 HydrophobicContact CB-CD1 4.4Å; L138-L160 CarbonylContact O-C 3.51Å; L138-L160 WeakPolarHBondContact O-CA 3.24Å; L138-I161 HydrophobicContact CB-CB 4.26Å; L138-I161 HydrophobicContact CD2-CD1 4.11Å; L138-I161 HydrophobicContact CG-CD1 4.13Å; L138-I161 PolarHBondContact N-O 2.84Å; L138-I161 PolarHBondContact O-N 3.09Å |
| 139 | A | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I68 F73 F131 S132 L137 H159 L160 | I68-A139 HydrophobicContact CD1-CB 3.78Å; F73-A139 HydrophobicContact CE1-CB 3.86Å; F73-A139 HydrophobicContact CZ-CB 3.84Å; F131-A139 CarbonylContact C-O 3.55Å; F131-A139 WeakPolarHBondContact CA-O 3.09Å; F131-A139 WeakPolarHBondContact CB-O 3.1Å; S132-A139 PolarHBondContact N-O 3.15Å; S132-A139 PolarHBondContact O-N 3.37Å; L137-A139 HydrophobicContact CD1-CB 4.02Å; A139-H159 CarbonylContact C-O 3.52Å; A139-H159 VanDerWaalsContact CA-O 3.26Å; A139-H159 WeakPolarHBondContact CA-O 3.37Å; A139-L160 HydrophobicContact CB-CD1 4.09Å |
| 140 | H | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.5 | 168 | 166.2 | -119.8 | 0 | 0 | 0 | 108.7 | I100 I105 E130 T158 H159 | I100-H140 HydrophobicContact CG2-CB 4.39Å; I100-H140 VanDerWaalsContact CG2-CD2 3.44Å; I100-H140 WeakPolarHBondContact CG2-CD2 3.11Å; I105-H140 HydrophobicContact CD1-CB 3.65Å; I105-H140 HydrophobicContact CG1-CB 3.77Å; E130-H140 PolarHBondContact O-CD2 2.04Å; H140-T158 WeakPolarHBondContact O-CA 3.13Å; H140-H159 HydrophobicContact CB-CB 4.46Å; H140-H159 PolarHBondContact N-O 2.98Å; H140-H159 AromaticContact ND1-CE1 3.89Å; H140-H159 AromaticContact ND1-ND1 3.21Å; H140-H159 PolarHBondContact ND1-ND1 2.9Å; H140-H159 PolarHBondContact O-N 3.31Å |
| 141 | R | 94 | Very high | 90.4 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121 | 179.5 | -175.7 | 169.3 | 71 | -160.5 | -0.1 | 110.1 | F73 E130 I157 | F73-R141 HydrophobicContact CD1-CB 4.3Å; F73-R141 HydrophobicContact CE1-CB 3.78Å; F73-R141 HydrophobicContact CZ-CB 4.27Å; E130-R141 HydrophobicContact CB-CB 4.23Å; E130-R141 PolarHBondContact N-O 2.97Å; E130-R141 PolarHBondContact O-N 2.87Å; E130-R141 IonicContact OE1-CZ 2.72Å; E130-R141 IonicContact OE1-NH2 2.7Å; E130-R141 PolarHBondContact OE1-NH2 3.06Å; E130-R141 IonicContact OE2-CZ 2.89Å; E130-R141 VanDerWaalsContact OE2-CZ 3.23Å; E130-R141 IonicContact OE2-NE 3.89Å; E130-R141 PolarHBondContact OE2-NE 2.9Å; E130-R141 IonicContact OE2-NH2 2.85Å; E130-R141 PolarHBondContact OE2-NH2 3.37Å; R141-I157 WeakPolarHBondContact CA-O 3.48Å |
| 142 | L | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114 | 172.8 | 169.4 | 56.8 | 0 | 0 | 0 | 108.2 | I124 P127 Y129 F144 K156 I157 | I124-L142 HydrophobicContact CD1-CD2 4.2Å; P127-L142 HydrophobicContact CB-CD1 3.78Å; Y129-L142 HydrophobicContact CD1-CD1 3.93Å; Y129-L142 HydrophobicContact CE1-CD1 3.59Å; L142-F144 HydrophobicContact CD1-CD1 4.37Å; L142-F144 HydrophobicContact CD2-CD1 4.34Å; L142-F144 HydrophobicContact CG-CD1 3.85Å; L142-F144 HydrophobicContact CG-CE1 4.41Å; L142-K156 CarbonylContact O-C 3.52Å; L142-K156 VanDerWaalsContact O-CA 3.27Å; L142-K156 WeakPolarHBondContact O-CA 3.31Å; L142-I157 PolarHBondContact N-O 2.9Å; L142-I157 PolarHBondContact O-N 3.48Å |
| 143 | S | 93.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.6 | 172.4 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | P127 Q128 F155 | P127-S143 CarbonylContact C-O 3.58Å; P127-S143 WeakPolarHBondContact CA-O 3.39Å; Q128-S143 PolarHBondContact N-O 3.33Å; Q128-S143 PolarHBondContact O-N 3.49Å; S143-F155 CarbonylContact C-O 3.44Å; S143-F155 WeakPolarHBondContact CA-O 3.36Å |
| 144 | F | 93.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 168.2 | -174.6 | 64.1 | -79.5 | 0 | 0 | 0 | 112.1 | I124 P127 L142 T154 F155 I157 M174 F182 | I124-F144 HydrophobicContact CB-CD2 4.28Å; I124-F144 HydrophobicContact CG1-CD2 4.02Å; I124-F144 HydrophobicContact CG1-CE2 4.12Å; I124-F144 HydrophobicContact CG1-CG 4.42Å; I124-F144 HydrophobicContact CG2-CB 3.82Å; I124-F144 HydrophobicContact CG2-CD2 4.11Å; I124-F144 HydrophobicContact CG2-CG 4Å; P127-F144 HydrophobicContact CB-CB 4.42Å; L142-F144 HydrophobicContact CD1-CD1 4.37Å; L142-F144 HydrophobicContact CD2-CD1 4.34Å; L142-F144 HydrophobicContact CG-CD1 3.85Å; L142-F144 HydrophobicContact CG-CE1 4.41Å; F144-T154 CarbonylContact O-C 3.6Å; F144-T154 WeakPolarHBondContact O-CA 3.1Å; F144-F155 HydrophobicContact CD1-CB 4.28Å; F144-F155 HydrophobicContact CD2-CB 4.37Å; F144-F155 HydrophobicContact CD2-CD2 4.4Å; F144-F155 HydrophobicContact CE1-CB 3.8Å; F144-F155 HydrophobicContact CE2-CB 3.86Å; F144-F155 HydrophobicContact CE2-CD2 4.07Å; F144-F155 HydrophobicContact CE2-CG 4.25Å; F144-F155 HydrophobicContact CZ-CB 3.57Å; F144-F155 HydrophobicContact CZ-CG 4.32Å; F144-F155 PolarHBondContact N-O 3Å; F144-F155 PolarHBondContact O-N 3.23Å; F144-I157 HydrophobicContact CE1-CD1 4.14Å; F144-I157 HydrophobicContact CE1-CG1 4.07Å; F144-I157 HydrophobicContact CZ-CD1 4.47Å; F144-M174 HydrophobicContact CE1-CE 4Å; F144-M174 HydrophobicContact CZ-CE 3.58Å; F144-F182 HydrophobicContact CE1-CE1 4.49Å; F144-F182 HydrophobicContact CE1-CZ 4.17Å; F144-F182 HydrophobicContact CE2-CE1 4.43Å; F144-F182 HydrophobicContact CE2-CE2 4.08Å; F144-F182 AromaticContact CE2-CZ 3.45Å; F144-F182 HydrophobicContact CE2-CZ 3.45Å; F144-F182 VanDerWaalsContact CE2-CZ 3.45Å; F144-F182 AromaticContact CZ-CE1 3.88Å; F144-F182 HydrophobicContact CZ-CE1 3.88Å; F144-F182 AromaticContact CZ-CE2 3.91Å; F144-F182 HydrophobicContact CZ-CE2 3.91Å; F144-F182 AromaticContact CZ-CZ 3.18Å; F144-F182 HydrophobicContact CZ-CZ 3.18Å |
| 145 | Q | 90.4 | Very high | 89.4 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 151.5 | 168.2 | -66.6 | 178.8 | -23.1 | 0 | 0 | 109.3 | Y125 K152 | Y125-Q145 WeakPolarHBondContact CA-O 3.35Å; Y125-Q145 WeakPolarHBondContact CB-O 3.39Å; Y125-Q145 HydrophobicContact CD1-CB 4.37Å; Y125-Q145 PolarHBondContact N-O 3.07Å; Y125-Q145 PolarHBondContact O-N 2.02Å; Y125-Q145 VanDerWaalsContact O-O 3.04Å; Q145-K152 PolarHBondContact NE2-O 2.88Å; Q145-K152 VanDerWaalsContact NE2-O 3.15Å |
| 146 | N | 85 | Confident | 89.4 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.1 | 175.2 | -168.3 | -47 | 0 | 0 | 0 | 110.4 | D123 G148 D149 F155 F178 Q181 | D123-N146 WeakPolarHBondContact CB-OD1 3.3Å; D123-N146 WeakPolarHBondContact O-CA 2.96Å; N146-G148 VanDerWaalsContact C-N 3.34Å; N146-G148 PolarHBondContact O-N 3.31Å; N146-D149 HydrophobicContact CB-CB 4.39Å; N146-D149 PolarHBondContact O-N 2.82Å; N146-D149 VanDerWaalsContact O-N 3.13Å; N146-F155 HydrophobicContact CB-CD2 4.09Å; N146-F155 HydrophobicContact CB-CE2 3.62Å; N146-F155 HydrophobicContact CB-CZ 4.46Å; N146-F178 HydrophobicContact CB-CD1 4.12Å; N146-F178 HydrophobicContact CB-CE1 4.17Å; N146-F178 HydrophobicContact CB-CG 4.38Å; N146-F178 HydrophobicContact CB-CZ 4.5Å; N146-F178 WeakPolarHBondContact ND2-CD1 3.48Å; N146-Q181 PolarHBondContact ND2-OE1 2.87Å |
| 147 | K | 81.1 | Confident | 89.6 | Confident | 156 Ų | 156 | 47.3 Ų | 47.3 | 68% | 0.678 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 89.3 | 172.4 | -168.3 | -176.9 | -178.5 | -175.4 | 0 | 110.4 | D123 | D123-K147 HydrophobicContact CB-CB 4.35Å; D123-K147 PolarHBondContact O-N 2.82Å |
| 148 | G | 78.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 46 Ų | 46 | 71% | 0.711 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 137.3 | -13.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N146 S150 | N146-G148 VanDerWaalsContact C-N 3.34Å; N146-G148 PolarHBondContact O-N 3.31Å; G148-S150 PolarHBondContact O-N 3.26Å |
| 149 | D | 81 | Confident | 89.8 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | trans | -73.7 | 102.7 | 174.4 | -170.1 | 39.3 | 0 | 0 | 0 | 110.3 | N146 L151 K152 R153 F155 F178 | N146-D149 HydrophobicContact CB-CB 4.39Å; N146-D149 PolarHBondContact O-N 2.82Å; N146-D149 VanDerWaalsContact O-N 3.13Å; D149-L151 PolarHBondContact O-N 3.33Å; D149-K152 PolarHBondContact O-N 3.45Å; D149-K152 PolarHBondContact OD2-N 3.47Å; D149-R153 IonicContact OD1-CZ 3.52Å; D149-R153 IonicContact OD1-NE 3.35Å; D149-R153 PolarHBondContact OD1-NE 2.86Å; D149-R153 IonicContact OD1-NH2 2.81Å; D149-R153 PolarHBondContact OD1-NH2 2.77Å; D149-R153 WeakPolarHBondContact OD2-CB 3Å; D149-R153 WeakPolarHBondContact OD2-CG 3.42Å; D149-R153 PolarHBondContact OD2-N 3.13Å; D149-R153 IonicContact OD2-NE 3.13Å; D149-R153 PolarHBondContact OD2-NE 2.84Å; D149-R153 VanDerWaalsContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 3.95Å; D149-F155 HydrophobicContact CB-CE2 4.37Å; D149-F155 HydrophobicContact CB-CZ 4.49Å; D149-F178 HydrophobicContact CB-CE2 4.1Å; D149-F178 HydrophobicContact CB-CZ 3.71Å | ||
| 150 | S | 83 | Confident | 89.8 | Confident | 110 Ų | 110 | 46.4 Ų | 46.4 | 77% | 0.769 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.7 | 178 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | G148 K152 | G148-S150 PolarHBondContact O-N 3.26Å; S150-K152 VanDerWaalsContact C-N 3.28Å; S150-K152 PolarHBondContact O-N 3.23Å |
| 151 | L | 85.9 | Confident | 89.9 | Confident | 119 Ų | 119 | 46.4 Ų | 46.4 | 62% | 0.623 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.4 | 177.6 | -61.4 | 179.8 | 0 | 0 | 0 | 113.7 | D149 R153 | D149-L151 PolarHBondContact O-N 3.33Å; L151-R153 HydrophobicContact CB-CG 3.88Å; L151-R153 PolarHBondContact O-N 2.89Å; L151-R153 VanDerWaalsContact O-N 3.12Å |
| 152 | K | 83.9 | Confident | 89.9 | Confident | 149 Ų | 149 | 46.2 Ų | 46.2 | 65% | 0.648 | 25% | 0.249 | S | C | * | . | trans | 49.4 | 35.5 | -178.2 | -60.4 | -176.4 | 179 | 179.3 | 0 | 113.3 | Q145 D149 S150 | Q145-K152 PolarHBondContact NE2-O 2.88Å; Q145-K152 VanDerWaalsContact NE2-O 3.15Å; D149-K152 PolarHBondContact O-N 3.45Å; D149-K152 PolarHBondContact OD2-N 3.47Å; S150-K152 VanDerWaalsContact C-N 3.28Å; S150-K152 PolarHBondContact O-N 3.23Å | ||
| 153 | R | 89.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 150.3 | -179.7 | -67.3 | 173.2 | -73.6 | -168.2 | -7.2 | 110.3 | D149 L151 F155 | D149-R153 IonicContact OD1-CZ 3.52Å; D149-R153 IonicContact OD1-NE 3.35Å; D149-R153 PolarHBondContact OD1-NE 2.86Å; D149-R153 IonicContact OD1-NH2 2.81Å; D149-R153 PolarHBondContact OD1-NH2 2.77Å; D149-R153 WeakPolarHBondContact OD2-CB 3Å; D149-R153 WeakPolarHBondContact OD2-CG 3.42Å; D149-R153 PolarHBondContact OD2-N 3.13Å; D149-R153 IonicContact OD2-NE 3.13Å; D149-R153 PolarHBondContact OD2-NE 2.84Å; D149-R153 VanDerWaalsContact OD2-NE 3.13Å; D149-R153 IonicContact OD2-NH2 3.95Å; L151-R153 HydrophobicContact CB-CG 3.88Å; L151-R153 PolarHBondContact O-N 2.89Å; L151-R153 VanDerWaalsContact O-N 3.12Å; R153-F155 HydrophobicContact CB-CE2 4.5Å; R153-F155 HydrophobicContact CB-CZ 4.2Å |
| 154 | T | 91.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 54 Ų | 54 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 118.2 | 172.1 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | F144 N173 | F144-T154 CarbonylContact O-C 3.6Å; F144-T154 WeakPolarHBondContact O-CA 3.1Å; T154-N173 PolarHBondContact O-ND2 3Å |
| 155 | F | 92.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 150.5 | 170.7 | -55.3 | -76.2 | 0 | 0 | 0 | 109.4 | S143 F144 N146 D149 R153 N173 M174 F178 | S143-F155 CarbonylContact C-O 3.44Å; S143-F155 WeakPolarHBondContact CA-O 3.36Å; F144-F155 HydrophobicContact CD1-CB 4.28Å; F144-F155 HydrophobicContact CD2-CB 4.37Å; F144-F155 HydrophobicContact CD2-CD2 4.4Å; F144-F155 HydrophobicContact CE1-CB 3.8Å; F144-F155 HydrophobicContact CE2-CB 3.86Å; F144-F155 HydrophobicContact CE2-CD2 4.07Å; F144-F155 HydrophobicContact CE2-CG 4.25Å; F144-F155 HydrophobicContact CZ-CB 3.57Å; F144-F155 HydrophobicContact CZ-CG 4.32Å; F144-F155 PolarHBondContact N-O 3Å; F144-F155 PolarHBondContact O-N 3.23Å; N146-F155 HydrophobicContact CB-CD2 4.09Å; N146-F155 HydrophobicContact CB-CE2 3.62Å; N146-F155 HydrophobicContact CB-CZ 4.46Å; D149-F155 HydrophobicContact CB-CE2 4.37Å; D149-F155 HydrophobicContact CB-CZ 4.49Å; R153-F155 HydrophobicContact CB-CE2 4.5Å; R153-F155 HydrophobicContact CB-CZ 4.2Å; F155-N173 WeakPolarHBondContact CD1-O 3.44Å; F155-N173 WeakPolarHBondContact CE1-O 3.47Å; F155-M174 HydrophobicContact CB-CE 4.37Å; F155-M174 HydrophobicContact CD1-CG 4.18Å; F155-F178 AromaticContact CE1-CD2 3.62Å; F155-F178 HydrophobicContact CE1-CD2 3.62Å; F155-F178 HydrophobicContact CE1-CE2 4.08Å; F155-F178 HydrophobicContact CE2-CD2 4.14Å; F155-F178 HydrophobicContact CE2-CE2 4.24Å; F155-F178 AromaticContact CZ-CD2 3.32Å; F155-F178 HydrophobicContact CZ-CD2 3.32Å; F155-F178 AromaticContact CZ-CE2 3.42Å; F155-F178 HydrophobicContact CZ-CE2 3.42Å; F155-F178 VanDerWaalsContact CZ-CE2 3.42Å; F155-F178 HydrophobicContact CZ-CG 4.33Å; F155-F178 HydrophobicContact CZ-CZ 4.45Å |
| 156 | K | 93.3 | Very high | 89.6 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.4 | 173.8 | -45.8 | 176.3 | -177 | 163.2 | 0 | 111.6 | L142 D172 | L142-K156 CarbonylContact O-C 3.52Å; L142-K156 VanDerWaalsContact O-CA 3.27Å; L142-K156 WeakPolarHBondContact O-CA 3.31Å; K156-D172 HydrophobicContact CB-CB 4.01Å; K156-D172 PolarHBondContact N-O 2.75Å; K156-D172 VanDerWaalsContact N-O 3.13Å; K156-D172 PolarHBondContact O-N 2.86Å |
| 157 | I | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.9 | 167.3 | -55.5 | 174.9 | 0 | 0 | 0 | 107.3 | R141 L142 F144 V169 Y170 Y171 M174 F182 | R141-I157 WeakPolarHBondContact CA-O 3.48Å; L142-I157 PolarHBondContact N-O 2.9Å; L142-I157 PolarHBondContact O-N 3.48Å; F144-I157 HydrophobicContact CE1-CD1 4.14Å; F144-I157 HydrophobicContact CE1-CG1 4.07Å; F144-I157 HydrophobicContact CZ-CD1 4.47Å; I157-V169 HydrophobicContact CG2-CG1 3.9Å; I157-Y170 WeakPolarHBondContact CA-O 3.42Å; I157-Y171 HydrophobicContact CD1-CD1 4.45Å; I157-Y171 HydrophobicContact CD1-CE1 4.42Å; I157-Y171 HydrophobicContact CG1-CD1 4.04Å; I157-Y171 HydrophobicContact CG1-CE1 4.4Å; I157-Y171 HydrophobicContact CG2-CD1 4.27Å; I157-Y171 HydrophobicContact CG2-CE1 4.14Å; I157-M174 HydrophobicContact CD1-CE 3.6Å; I157-M174 HydrophobicContact CG1-CE 3.35Å; I157-F182 HydrophobicContact CD1-CD1 3.84Å; I157-F182 HydrophobicContact CD1-CE1 3.63Å; I157-F182 HydrophobicContact CD1-CZ 4.46Å |
| 158 | T | 95.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.1 | 179 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | I68 H140 V169 Y170 | I68-T158 HydrophobicContact CD1-CG2 3.38Å; I68-T158 HydrophobicContact CG1-CG2 4.27Å; H140-T158 WeakPolarHBondContact O-CA 3.13Å; T158-V169 CarbonylContact O-C 3.35Å; T158-V169 VanDerWaalsContact O-CA 3.29Å; T158-V169 WeakPolarHBondContact O-CA 3.43Å; T158-Y170 PolarHBondContact N-O 2.84Å; T158-Y170 PolarHBondContact O-N 3.41Å |
| 159 | H | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.4 | 168.9 | -49.5 | 96.5 | 0 | 0 | 0 | 107.5 | I105 I117 S119 A139 H140 S168 | I105-H159 HydrophobicContact CD1-CB 4.42Å; I117-H159 HydrophobicContact CD1-CB 4.17Å; I117-H159 HydrophobicContact CG2-CB 4.3Å; S119-H159 PolarHBondContact OG-NE2 2.94Å; S119-H159 VanDerWaalsContact OG-NE2 3.11Å; A139-H159 CarbonylContact C-O 3.52Å; A139-H159 VanDerWaalsContact CA-O 3.26Å; A139-H159 WeakPolarHBondContact CA-O 3.37Å; H140-H159 HydrophobicContact CB-CB 4.46Å; H140-H159 PolarHBondContact N-O 2.98Å; H140-H159 AromaticContact ND1-CE1 3.89Å; H140-H159 AromaticContact ND1-ND1 3.21Å; H140-H159 PolarHBondContact ND1-ND1 2.9Å; H140-H159 PolarHBondContact O-N 3.31Å; H159-S168 CarbonylContact C-O 3.55Å; H159-S168 WeakPolarHBondContact CA-O 3.42Å |
| 160 | L | 94.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.9 | -177.6 | 175.8 | 68.4 | 0 | 0 | 0 | 109.2 | P67 I68 L137 L138 A139 L162 I167 S168 | P67-L160 HydrophobicContact CB-CD2 4.01Å; P67-L160 HydrophobicContact CG-CD2 4.1Å; I68-L160 HydrophobicContact CD1-CD1 4.28Å; I68-L160 HydrophobicContact CG1-CD1 4.34Å; I68-L160 HydrophobicContact CG1-CD2 4.23Å; L137-L160 HydrophobicContact CB-CD1 3.94Å; L137-L160 HydrophobicContact CD1-CD1 4.17Å; L137-L160 HydrophobicContact CD2-CD1 4.43Å; L137-L160 HydrophobicContact CG-CD1 4.42Å; L138-L160 CarbonylContact O-C 3.51Å; L138-L160 WeakPolarHBondContact O-CA 3.24Å; A139-L160 HydrophobicContact CB-CD1 4.09Å; L160-L162 HydrophobicContact CD1-CD2 4.4Å; L160-L162 HydrophobicContact CD2-CD2 4.41Å; L160-L162 HydrophobicContact CG-CD2 4.36Å; L160-I167 CarbonylContact O-C 3.46Å; L160-I167 WeakPolarHBondContact O-CA 3.04Å; L160-S168 PolarHBondContact N-O 3.24Å; L160-S168 PolarHBondContact O-N 3.25Å |
| 161 | I | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.7 | 175.3 | -58.5 | 91.3 | 0 | 0 | 0 | 107.8 | F88 I105 F107 L137 L138 K166 I167 | F88-I161 HydrophobicContact CD2-CG2 3.89Å; F88-I161 HydrophobicContact CE2-CG2 3.82Å; F88-I161 HydrophobicContact CG-CG2 4.45Å; F88-I161 HydrophobicContact CZ-CG2 4.33Å; I105-I161 HydrophobicContact CD1-CD1 3.7Å; F107-I161 HydrophobicContact CE1-CD1 4.31Å; F107-I161 HydrophobicContact CE1-CG1 4.38Å; F107-I161 HydrophobicContact CZ-CD1 3.96Å; F107-I161 HydrophobicContact CZ-CG1 4.05Å; L137-I161 WeakPolarHBondContact CA-O 3.35Å; L138-I161 HydrophobicContact CB-CB 4.26Å; L138-I161 HydrophobicContact CD2-CD1 4.11Å; L138-I161 HydrophobicContact CG-CD1 4.13Å; L138-I161 PolarHBondContact N-O 2.84Å; L138-I161 PolarHBondContact O-N 3.09Å; I161-K166 WeakPolarHBondContact CA-O 3.43Å; I161-I167 HydrophobicContact CG1-CG1 4.13Å; I161-I167 HydrophobicContact CG1-CG2 4.43Å |
| 162 | L | 93.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | trans | -106.9 | 158.9 | 177.8 | -61 | 179.2 | 0 | 0 | 0 | 111 | L137 L160 N164 G165 K166 | L137-L162 HydrophobicContact CB-CD2 4.02Å; L160-L162 HydrophobicContact CD1-CD2 4.4Å; L160-L162 HydrophobicContact CD2-CD2 4.41Å; L160-L162 HydrophobicContact CG-CD2 4.36Å; L162-N164 WeakPolarHBondContact CB-OD1 3.43Å; L162-N164 PolarHBondContact O-N 3.4Å; L162-N164 VanDerWaalsContact O-N 3.13Å; L162-G165 PolarHBondContact O-N 3.22Å; L162-K166 HydrophobicContact CB-CB 4.5Å; L162-K166 HydrophobicContact CD1-CB 4.45Å; L162-K166 PolarHBondContact N-O 3.03Å | ||
| 163 | P | 92.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 30.3 Ų | 30.3 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.4 | 180 | -28.6 | 33.6 | 0 | 0 | 0 | 115.1 | F86 N136 G165 | F86-P163 HydrophobicContact CB-CG 4.45Å; F86-P163 HydrophobicContact CD1-CG 4.45Å; F86-P163 HydrophobicContact CD2-CB 3.85Å; F86-P163 HydrophobicContact CD2-CG 3.83Å; F86-P163 HydrophobicContact CE2-CB 4.32Å; F86-P163 HydrophobicContact CE2-CG 4.15Å; F86-P163 HydrophobicContact CG-CB 4.34Å; F86-P163 HydrophobicContact CG-CG 3.98Å; N136-P163 WeakPolarHBondContact O-CD 3.5Å; P163-G165 PolarHBondContact O-N 3.06Å |
| 164 | N | 89.5 | Confident | 93.6 | Very high | 118 Ų | 118 | 26.8 Ų | 26.8 | 63% | 0.631 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2.4 | 175.3 | 68.2 | -7.2 | 0 | 0 | 0 | 113.8 | L162 K166 | L162-N164 WeakPolarHBondContact CB-OD1 3.43Å; L162-N164 PolarHBondContact O-N 3.4Å; L162-N164 VanDerWaalsContact O-N 3.13Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.9Å; N164-K166 WeakPolarHBondContact OD1-CB 3.2Å; N164-K166 PolarHBondContact OD1-N 2.88Å |
| 165 | G | 91.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 81.5 | 3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L162 P163 | L162-G165 PolarHBondContact O-N 3.22Å; P163-G165 PolarHBondContact O-N 3.06Å |
| 166 | K | 93.4 | Very high | 92.8 | Very high | 34 Ų | 34 | 31 Ų | 31 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | trans | -66.9 | 133.3 | 172 | -177.9 | 167.8 | 178.2 | 162.6 | 0 | 109.8 | I161 L162 N164 E215 E217 | I161-K166 WeakPolarHBondContact CA-O 3.43Å; L162-K166 HydrophobicContact CB-CB 4.5Å; L162-K166 HydrophobicContact CD1-CB 4.45Å; L162-K166 PolarHBondContact N-O 3.03Å; N164-K166 VanDerWaalsContact C-N 3.29Å; N164-K166 PolarHBondContact O-N 2.9Å; N164-K166 WeakPolarHBondContact OD1-CB 3.2Å; N164-K166 PolarHBondContact OD1-N 2.88Å; K166-E215 WeakPolarHBondContact CE-OE1 3.43Å; K166-E215 IonicContact NZ-OE1 2.89Å; K166-E215 PolarHBondContact NZ-OE1 3.48Å; K166-E217 HydrophobicContact CD-CG 4.02Å; K166-E217 VanDerWaalsContact CE-OE1 3.24Å; K166-E217 WeakPolarHBondContact CE-OE1 3.15Å; K166-E217 HydrophobicContact CG-CG 4.07Å; K166-E217 IonicContact NZ-OE1 3.23Å; K166-E217 PolarHBondContact NZ-OE1 2.94Å | ||
| 167 | I | 96.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135 | -178.9 | -59 | 169.2 | 0 | 0 | 0 | 108.1 | Y56 F90 I117 L160 I161 L186 E215 Y216 | Y56-I167 HydrophobicContact CE1-CD1 4.27Å; F90-I167 HydrophobicContact CD2-CD1 3.83Å; F90-I167 HydrophobicContact CE2-CD1 3.7Å; I117-I167 HydrophobicContact CD1-CG2 3.37Å; L160-I167 CarbonylContact O-C 3.46Å; L160-I167 WeakPolarHBondContact O-CA 3.04Å; I161-I167 HydrophobicContact CG1-CG1 4.13Å; I161-I167 HydrophobicContact CG1-CG2 4.43Å; I167-L186 HydrophobicContact CD1-CD1 4.15Å; I167-L186 HydrophobicContact CD1-CD2 4.35Å; I167-E215 CarbonylContact O-C 3.57Å; I167-E215 WeakPolarHBondContact O-CA 3.36Å; I167-Y216 HydrophobicContact CB-CD2 4.34Å; I167-Y216 HydrophobicContact CG2-CD2 4.17Å; I167-Y216 PolarHBondContact N-O 3.09Å; I167-Y216 PolarHBondContact O-N 3.04Å |
| 168 | S | 95.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.7 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | H159 L160 V214 | H159-S168 CarbonylContact C-O 3.55Å; H159-S168 WeakPolarHBondContact CA-O 3.42Å; L160-S168 PolarHBondContact N-O 3.24Å; L160-S168 PolarHBondContact O-N 3.25Å; S168-V214 CarbonylContact C-O 3.57Å; S168-V214 WeakPolarHBondContact CA-O 3.44Å |
| 169 | V | 96.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.1 | 168.9 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | I117 I157 T158 Y171 V214 Y216 | I117-V169 HydrophobicContact CD1-CG2 3.5Å; I117-V169 VanDerWaalsContact CD1-CG2 3.5Å; I117-V169 HydrophobicContact CG1-CG2 4.21Å; I157-V169 HydrophobicContact CG2-CG1 3.9Å; T158-V169 CarbonylContact O-C 3.35Å; T158-V169 VanDerWaalsContact O-CA 3.29Å; T158-V169 WeakPolarHBondContact O-CA 3.43Å; V169-Y171 HydrophobicContact CG1-CE1 3.92Å; V169-Y171 HydrophobicContact CG1-CE2 4.15Å; V169-V214 HydrophobicContact CB-CB 4.25Å; V169-V214 PolarHBondContact N-O 2.96Å; V169-V214 PolarHBondContact O-N 3.48Å; V169-Y216 HydrophobicContact CG2-CE2 4.29Å |
| 170 | Y | 96.6 | Very high | 90.1 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.5 | 178.6 | -177.7 | -100.9 | 0 | 0 | 0 | 110.7 | Q64 I157 T158 D172 T212 L213 | Q64-Y170 WeakPolarHBondContact O-CE2 3.37Å; Q64-Y170 PolarHBondContact O-OH 2.88Å; I157-Y170 WeakPolarHBondContact CA-O 3.42Å; T158-Y170 PolarHBondContact N-O 2.84Å; T158-Y170 PolarHBondContact O-N 3.41Å; Y170-D172 HydrophobicContact CD1-CB 4.24Å; Y170-D172 HydrophobicContact CE1-CB 3.78Å; Y170-T212 WeakPolarHBondContact CD2-O 3.41Å; Y170-L213 HydrophobicContact CD2-CB 4.24Å; Y170-L213 HydrophobicContact CD2-CD1 4.24Å |
| 171 | Y | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118 | 178.7 | -53.9 | -79.1 | 0 | 0 | 0 | 109.9 | I157 V169 M174 S184 V203 I208 K209 G211 T212 V214 | I157-Y171 HydrophobicContact CD1-CD1 4.45Å; I157-Y171 HydrophobicContact CD1-CE1 4.42Å; I157-Y171 HydrophobicContact CG1-CD1 4.04Å; I157-Y171 HydrophobicContact CG1-CE1 4.4Å; I157-Y171 HydrophobicContact CG2-CD1 4.27Å; I157-Y171 HydrophobicContact CG2-CE1 4.14Å; V169-Y171 HydrophobicContact CG1-CE1 3.92Å; V169-Y171 HydrophobicContact CG1-CE2 4.15Å; Y171-M174 HydrophobicContact CD1-CE 4.25Å; Y171-M174 HydrophobicContact CD1-SD 3.78Å; Y171-M174 HydrophobicContact CG-SD 4.26Å; Y171-S184 WeakPolarHBondContact OH-CB 3.5Å; Y171-S184 PolarHBondContact OH-OG 2.83Å; Y171-V203 HydrophobicContact CE2-CG1 4.31Å; Y171-V203 WeakPolarHBondContact OH-CG2 3.46Å; Y171-I208 HydrophobicContact CD1-CG2 3.75Å; Y171-I208 HydrophobicContact CE1-CG2 3.77Å; Y171-I208 HydrophobicContact CE2-CG1 4.41Å; Y171-I208 HydrophobicContact CG-CG2 4.17Å; Y171-K209 WeakPolarHBondContact CB-O 3.37Å; Y171-G211 PolarHBondContact O-N 3.28Å; Y171-T212 HydrophobicContact CD2-CG2 4.2Å; Y171-T212 PolarHBondContact N-O 2.79Å; Y171-T212 VanDerWaalsContact N-O 3.08Å; Y171-V214 HydrophobicContact CE2-CG2 3.88Å |
| 172 | D | 93.6 | Very high | 89.2 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.2 | -178.8 | -163.9 | 6.9 | 0 | 0 | 0 | 111 | K156 Y170 M174 | K156-D172 HydrophobicContact CB-CB 4.01Å; K156-D172 PolarHBondContact N-O 2.75Å; K156-D172 VanDerWaalsContact N-O 3.13Å; K156-D172 PolarHBondContact O-N 2.86Å; Y170-D172 HydrophobicContact CD1-CB 4.24Å; Y170-D172 HydrophobicContact CE1-CB 3.78Å; D172-M174 PolarHBondContact O-N 3.08Å |
| 173 | N | 90.7 | Very high | 89.1 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 56.7 | 17.3 | 178.2 | -159.6 | 23.9 | 0 | 0 | 0 | 114.9 | T154 F155 S210 | T154-N173 PolarHBondContact O-ND2 3Å; F155-N173 WeakPolarHBondContact CD1-O 3.44Å; F155-N173 WeakPolarHBondContact CE1-O 3.47Å; N173-S210 WeakPolarHBondContact CA-OG 3.22Å; N173-S210 PolarHBondContact N-OG 2.72Å |
| 174 | M | 86.8 | Confident | 89.3 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | trans | -80.7 | 131.5 | -178.8 | -71.4 | -154.7 | 166.9 | 0 | 0 | 113.1 | F144 F155 I157 Y171 D172 F182 I208 S210 | F144-M174 HydrophobicContact CE1-CE 4Å; F144-M174 HydrophobicContact CZ-CE 3.58Å; F155-M174 HydrophobicContact CB-CE 4.37Å; F155-M174 HydrophobicContact CD1-CG 4.18Å; I157-M174 HydrophobicContact CD1-CE 3.6Å; I157-M174 HydrophobicContact CG1-CE 3.35Å; Y171-M174 HydrophobicContact CD1-CE 4.25Å; Y171-M174 HydrophobicContact CD1-SD 3.78Å; Y171-M174 HydrophobicContact CG-SD 4.26Å; D172-M174 PolarHBondContact O-N 3.08Å; M174-F182 HydrophobicContact CE-CE2 4.25Å; M174-F182 HydrophobicContact CE-CZ 4.29Å; M174-I208 HydrophobicContact SD-CG2 3.67Å; M174-S210 VanDerWaalsContact O-CB 3.26Å; M174-S210 WeakPolarHBondContact O-CB 2.94Å; M174-S210 PolarHBondContact O-N 2.75Å | ||
| 175 | T | 84.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 24% | 0.239 | 19% | 0.194 | C | C | . | . | trans | -83.9 | 157 | 166.3 | 70.8 | 0 | 0 | 0 | 0 | 110 | E177 F178 G179 | T175-E177 VanDerWaalsContact C-N 3.29Å; T175-E177 PolarHBondContact O-N 2.98Å; T175-F178 HydrophobicContact CG2-CD2 4.12Å; T175-F178 HydrophobicContact CG2-CE2 4.25Å; T175-F178 PolarHBondContact O-N 3.01Å; T175-F178 WeakPolarHBondContact OG1-CD2 3.26Å; T175-F178 WeakPolarHBondContact OG1-CG 3.18Å; T175-F178 PolarHBondContact OG1-N 3.46Å; T175-G179 PolarHBondContact O-N 2.91Å | ||
| 176 | Q | 81.2 | Confident | 89.8 | Confident | 116 Ų | 116 | 40.2 Ų | 40.2 | 54% | 0.542 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 177.3 | -172.6 | 176.1 | 22.8 | 0 | 0 | 112 | F178 G179 L180 | Q176-F178 PolarHBondContact O-N 3.48Å; Q176-G179 PolarHBondContact O-N 3.04Å; Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.37Å |
| 177 | E | 82.6 | Confident | 89.9 | Confident | 138 Ų | 138 | 39 Ų | 39 | 65% | 0.645 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -57.2 | -49.7 | 177.9 | -177.2 | -178.1 | -179.8 | 0 | 0 | 112 | T175 G179 L180 | T175-E177 VanDerWaalsContact C-N 3.29Å; T175-E177 PolarHBondContact O-N 2.98Å; E177-G179 VanDerWaalsContact C-N 3.33Å; E177-G179 PolarHBondContact O-N 2.81Å; E177-L180 WeakPolarHBondContact O-CB 3.15Å; E177-L180 PolarHBondContact O-N 2.81Å |
| 178 | F | 79.7 | Confident | 89.7 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.9 | -61.9 | -43.3 | 0 | 0 | 0 | 111.7 | N146 D149 F155 T175 Q176 L180 Q181 F182 | N146-F178 HydrophobicContact CB-CD1 4.12Å; N146-F178 HydrophobicContact CB-CE1 4.17Å; N146-F178 HydrophobicContact CB-CG 4.38Å; N146-F178 HydrophobicContact CB-CZ 4.5Å; N146-F178 WeakPolarHBondContact ND2-CD1 3.48Å; D149-F178 HydrophobicContact CB-CE2 4.1Å; D149-F178 HydrophobicContact CB-CZ 3.71Å; F155-F178 AromaticContact CE1-CD2 3.62Å; F155-F178 HydrophobicContact CE1-CD2 3.62Å; F155-F178 HydrophobicContact CE1-CE2 4.08Å; F155-F178 HydrophobicContact CE2-CD2 4.14Å; F155-F178 HydrophobicContact CE2-CE2 4.24Å; F155-F178 AromaticContact CZ-CD2 3.32Å; F155-F178 HydrophobicContact CZ-CD2 3.32Å; F155-F178 AromaticContact CZ-CE2 3.42Å; F155-F178 HydrophobicContact CZ-CE2 3.42Å; F155-F178 VanDerWaalsContact CZ-CE2 3.42Å; F155-F178 HydrophobicContact CZ-CG 4.33Å; F155-F178 HydrophobicContact CZ-CZ 4.45Å; T175-F178 HydrophobicContact CG2-CD2 4.12Å; T175-F178 HydrophobicContact CG2-CE2 4.25Å; T175-F178 PolarHBondContact O-N 3.01Å; T175-F178 WeakPolarHBondContact OG1-CD2 3.26Å; T175-F178 WeakPolarHBondContact OG1-CG 3.18Å; T175-F178 PolarHBondContact OG1-N 3.46Å; Q176-F178 PolarHBondContact O-N 3.48Å; F178-L180 PolarHBondContact O-N 2.87Å; F178-Q181 WeakPolarHBondContact O-CB 3.37Å; F178-Q181 PolarHBondContact O-N 3.47Å; F178-F182 WeakPolarHBondContact O-CD2 3.17Å |
| 179 | G | 77.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -35.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T175 Q176 E177 Q181 F182 I208 | T175-G179 PolarHBondContact O-N 2.91Å; Q176-G179 PolarHBondContact O-N 3.04Å; E177-G179 VanDerWaalsContact C-N 3.33Å; E177-G179 PolarHBondContact O-N 2.81Å; G179-Q181 PolarHBondContact O-N 3.5Å; G179-F182 PolarHBondContact O-N 2.77Å; G179-F182 VanDerWaalsContact O-N 3.11Å; G179-I208 WeakPolarHBondContact CA-O 3.44Å |
| 180 | L | 82.1 | Confident | 88.7 | Confident | 86 Ų | 86 | 41.6 Ų | 41.6 | 45% | 0.45 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.6 | 178.6 | -63.3 | 177.3 | 0 | 0 | 0 | 113.9 | Q176 E177 F178 K205 | Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.37Å; E177-L180 WeakPolarHBondContact O-CB 3.15Å; E177-L180 PolarHBondContact O-N 2.81Å; F178-L180 PolarHBondContact O-N 2.87Å; L180-K205 HydrophobicContact CD2-CB 3.75Å; L180-K205 WeakPolarHBondContact O-CD 3.44Å; L180-K205 VanDerWaalsContact O-CE 3.31Å; L180-K205 WeakPolarHBondContact O-CE 3.17Å; L180-K205 PolarHBondContact O-NZ 2.89Å |
| 181 | Q | 84.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 42 Ų | 42 | 33% | 0.327 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13.2 | 177.9 | -60.3 | 170.9 | -16.6 | 0 | 0 | 112.4 | S121 D123 N146 F178 G179 | S121-Q181 WeakPolarHBondContact CB-O 3.17Å; S121-Q181 PolarHBondContact OG-O 3.44Å; D123-Q181 PolarHBondContact OD2-OE1 3.18Å; D123-Q181 VanDerWaalsContact OD2-OE1 3.09Å; N146-Q181 PolarHBondContact ND2-OE1 2.87Å; F178-Q181 WeakPolarHBondContact O-CB 3.37Å; F178-Q181 PolarHBondContact O-N 3.47Å; G179-Q181 PolarHBondContact O-N 3.5Å |
| 182 | F | 88 | Confident | 87.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | trans | -89.2 | 144.5 | -176.9 | -81.5 | -94.6 | 0 | 0 | 0 | 113.1 | Y120 I124 F144 I157 M174 F178 G179 I208 | Y120-F182 WeakPolarHBondContact O-CA 3.21Å; I124-F182 HydrophobicContact CD1-CE1 3.89Å; I124-F182 HydrophobicContact CD1-CZ 4.25Å; I124-F182 HydrophobicContact CG1-CE1 4Å; I124-F182 HydrophobicContact CG1-CZ 3.82Å; F144-F182 HydrophobicContact CE1-CE1 4.49Å; F144-F182 HydrophobicContact CE1-CZ 4.17Å; F144-F182 HydrophobicContact CE2-CE1 4.43Å; F144-F182 HydrophobicContact CE2-CE2 4.08Å; F144-F182 AromaticContact CE2-CZ 3.45Å; F144-F182 HydrophobicContact CE2-CZ 3.45Å; F144-F182 VanDerWaalsContact CE2-CZ 3.45Å; F144-F182 AromaticContact CZ-CE1 3.88Å; F144-F182 HydrophobicContact CZ-CE1 3.88Å; F144-F182 AromaticContact CZ-CE2 3.91Å; F144-F182 HydrophobicContact CZ-CE2 3.91Å; F144-F182 AromaticContact CZ-CZ 3.18Å; F144-F182 HydrophobicContact CZ-CZ 3.18Å; I157-F182 HydrophobicContact CD1-CD1 3.84Å; I157-F182 HydrophobicContact CD1-CE1 3.63Å; I157-F182 HydrophobicContact CD1-CZ 4.46Å; M174-F182 HydrophobicContact CE-CE2 4.25Å; M174-F182 HydrophobicContact CE-CZ 4.29Å; F178-F182 WeakPolarHBondContact O-CD2 3.17Å; G179-F182 PolarHBondContact O-N 2.77Å; G179-F182 VanDerWaalsContact O-N 3.11Å; F182-I208 HydrophobicContact CB-CD1 3.91Å; F182-I208 HydrophobicContact CB-CG2 4.26Å | ||
| 183 | Q | 92.2 | Very high | 86.1 | Confident | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 106.8 | 159.4 | -66.9 | -173.3 | -5.1 | 0 | 0 | 108 | S119 Y120 | S119-Q183 WeakPolarHBondContact CA-O 3.49Å; Y120-Q183 PolarHBondContact N-O 3.22Å; Y120-Q183 PolarHBondContact O-N 3Å |
| 184 | S | 95.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.8 | 172.1 | -166 | 0 | 0 | 0 | 0 | 109.5 | S118 S119 Y171 V203 | S118-S184 CarbonylContact O-C 3.53Å; S118-S184 WeakPolarHBondContact O-CA 3.28Å; S119-S184 PolarHBondContact OG-OG 3.47Å; Y171-S184 WeakPolarHBondContact OH-CB 3.5Å; Y171-S184 PolarHBondContact OH-OG 2.83Å; S184-V203 PolarHBondContact O-N 2.87Å |
| 185 | R | 95.4 | Very high | 85.2 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.7 | -171.7 | 63.8 | -179.4 | -175.4 | 179 | 1 | 113.3 | S118 T201 F202 | S118-R185 PolarHBondContact N-O 2.83Å; S118-R185 PolarHBondContact O-N 2.99Å; S118-R185 WeakPolarHBondContact OG-CG 3.42Å; R185-T201 WeakPolarHBondContact CA-O 3.26Å; R185-T201 WeakPolarHBondContact CB-O 3.4Å; R185-F202 HydrophobicContact CB-CD1 4.07Å; R185-F202 HydrophobicContact CB-CE1 4.24Å |
| 186 | L | 96.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.9 | 160.2 | -162.5 | 66.4 | 0 | 0 | 0 | 107.4 | Y56 F90 Y91 S116 I117 I167 H200 T201 Y216 | Y56-L186 HydrophobicContact CD2-CD2 3.81Å; Y56-L186 HydrophobicContact CE2-CD2 3.89Å; Y56-L186 HydrophobicContact CG-CD2 4.32Å; F90-L186 HydrophobicContact CE2-CD1 3.73Å; F90-L186 HydrophobicContact CE2-CG 4.28Å; F90-L186 HydrophobicContact CZ-CD1 3.9Å; F90-L186 HydrophobicContact CZ-CG 4.19Å; Y91-L186 HydrophobicContact CE2-CD2 4.41Å; Y91-L186 HydrophobicContact CE2-CG 4.37Å; S116-L186 CarbonylContact O-C 3.56Å; I117-L186 HydrophobicContact CB-CD1 3.75Å; I117-L186 HydrophobicContact CD1-CD1 4.25Å; I117-L186 HydrophobicContact CG1-CD1 3.98Å; I167-L186 HydrophobicContact CD1-CD1 4.15Å; I167-L186 HydrophobicContact CD1-CD2 4.35Å; L186-H200 CarbonylContact O-C 3.51Å; L186-H200 WeakPolarHBondContact O-CA 3.31Å; L186-T201 HydrophobicContact CB-CG2 4.21Å; L186-T201 WeakPolarHBondContact CB-OG1 3.4Å; L186-T201 PolarHBondContact N-O 3.08Å; L186-T201 VanDerWaalsContact N-O 3.15Å; L186-T201 PolarHBondContact N-OG1 2.87Å; L186-T201 PolarHBondContact O-N 3.36Å; L186-Y216 HydrophobicContact CB-CE1 4.27Å; L186-Y216 HydrophobicContact CD2-CD1 3.93Å; L186-Y216 HydrophobicContact CD2-CD2 4.35Å; L186-Y216 HydrophobicContact CD2-CE1 4.29Å; L186-Y216 HydrophobicContact CD2-CG 3.95Å |
| 187 | S | 95 | Very high | 85.2 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 144.5 | 177.8 | -57 | 0 | 0 | 0 | 0 | 110.1 | F90 G115 S116 L199 H200 | F90-S187 WeakPolarHBondContact CE1-O 3.47Å; F90-S187 WeakPolarHBondContact CZ-O 3.44Å; G115-S187 CarbonylContact C-O 3.54Å; G115-S187 VanDerWaalsContact CA-O 3.27Å; G115-S187 WeakPolarHBondContact CA-O 3.37Å; S116-S187 PolarHBondContact N-O 3.28Å; S116-S187 PolarHBondContact O-N 3.22Å; S187-L199 CarbonylContact C-O 3.51Å; S187-L199 WeakPolarHBondContact CA-O 3.21Å; S187-H200 PolarHBondContact OG-ND1 3.25Å |
| 188 | G | 93.6 | Very high | 85.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L114 L199 | L114-G188 WeakPolarHBondContact O-CA 2.94Å; G188-L199 PolarHBondContact N-O 3.11Å; G188-L199 PolarHBondContact O-N 3.37Å |
| 189 | S | 87.5 | Confident | 85.9 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.9 | 168.7 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | L114 E196 R197 | L114-S189 PolarHBondContact O-N 2.75Å; L114-S189 VanDerWaalsContact O-N 3.14Å; S189-E196 WeakPolarHBondContact CB-OE1 3.29Å; S189-E196 PolarHBondContact OG-OE1 3.05Å; S189-R197 WeakPolarHBondContact CA-O 3.23Å |
| 190 | L | 83.4 | Confident | 86.5 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.2 | 178.9 | -176.9 | 67.9 | 0 | 0 | 0 | 108.9 | V29 I33 Y54 C192 E196 R197 L199 | V29-L190 HydrophobicContact CG1-CD2 4.42Å; I33-L190 HydrophobicContact CD1-CD2 3.52Å; Y54-L190 HydrophobicContact CE1-CD2 4.17Å; L190-C192 PolarHBondContact O-N 2.82Å; L190-E196 CarbonylContact O-C 3.59Å; L190-E196 WeakPolarHBondContact O-CA 3.34Å; L190-R197 PolarHBondContact N-O 2.86Å; L190-R197 PolarHBondContact O-N 2.67Å; L190-L199 HydrophobicContact CB-CD1 4.19Å |
| 191 | A | 80.6 | Confident | 87 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 21% | 0.207 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 121.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 192 | C | 79.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 165.5 | 173.8 | -69 | 0 | 0 | 0 | 0 | 110.7 | C30 L190 R194 G195 R197 | C30-C192 HydrophobicContact CB-CB 4.03Å; C30-C192 WeakPolarHBondContact CB-SG 3.41Å; C30-C192 VanDerWaalsContact SG-CA 3.52Å; C30-C192 WeakPolarHBondContact SG-CB 3.49Å; C30-C192 CovalentContact SG-SG 2.05Å; C30-C192 PolarHBondContact SG-SG 3.08Å; L190-C192 PolarHBondContact O-N 2.82Å; C192-R194 PolarHBondContact O-N 2.93Å; C192-G195 CarbonylContact C-O 3.5Å; C192-G195 WeakPolarHBondContact CA-O 3.22Å; C192-G195 WeakPolarHBondContact CB-O 3.42Å; C192-G195 PolarHBondContact N-O 3.04Å; C192-G195 CarbonylContact O-C 3.54Å; C192-G195 PolarHBondContact O-N 2.9Å; C192-G195 VanDerWaalsContact O-O 3.06Å; C192-R197 HydrophobicContact CB-CG 4.35Å; C192-R197 PolarHBondContact SG-NH1 3.14Å |
| 193 | E | 71.6 | Confident | 87.7 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35 | -179.5 | -69.4 | -164.5 | 159.7 | 0 | 0 | 113.1 | G195 R331 | E193-G195 PolarHBondContact O-N 2.83Å; E193-R331 IonicContact OE1-CZ 2.75Å; E193-R331 IonicContact OE1-NE 3.84Å |
| 194 | R | 77.3 | Confident | 87.7 | Confident | 221 Ų | 221 | 52.7 Ų | 52.7 | 83% | 0.834 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 5.4 | 177.4 | -63.8 | -174 | -171.3 | 164.4 | 5.5 | 113.9 | C192 | C192-R194 PolarHBondContact O-N 2.93Š|
| 195 | G | 81.3 | Confident | 87.6 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.1 | -173.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | C192 E193 | C192-G195 CarbonylContact C-O 3.5Å; C192-G195 WeakPolarHBondContact CA-O 3.22Å; C192-G195 WeakPolarHBondContact CB-O 3.42Å; C192-G195 PolarHBondContact N-O 3.04Å; C192-G195 CarbonylContact O-C 3.54Å; C192-G195 PolarHBondContact O-N 2.9Å; C192-G195 VanDerWaalsContact O-O 3.06Å; E193-G195 PolarHBondContact O-N 2.83Å |
| 196 | E | 81.7 | Confident | 87.4 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 122.6 | 178.8 | -172.2 | 175.8 | -144.9 | 0 | 0 | 110.7 | S189 L190 | S189-E196 WeakPolarHBondContact CB-OE1 3.29Å; S189-E196 PolarHBondContact OG-OE1 3.05Å; L190-E196 CarbonylContact O-C 3.59Å; L190-E196 WeakPolarHBondContact O-CA 3.34Å |
| 197 | R | 83.7 | Confident | 87.3 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.2 | 171.3 | -74.1 | -164.2 | 167.3 | 118.4 | -22.2 | 109.8 | C30 D34 S189 L190 C192 | C30-R197 VanDerWaalsContact C-NH1 3.3Å; C30-R197 PolarHBondContact O-NH1 3.41Å; C30-R197 PolarHBondContact O-NH2 2.87Å; D34-R197 IonicContact OD1-CZ 3.36Å; D34-R197 IonicContact OD1-NE 3.79Å; D34-R197 IonicContact OD1-NH2 3.72Å; D34-R197 PolarHBondContact OD1-NH2 3.48Å; D34-R197 IonicContact OD2-NH2 3.77Å; S189-R197 WeakPolarHBondContact CA-O 3.23Å; L190-R197 PolarHBondContact N-O 2.86Å; L190-R197 PolarHBondContact O-N 2.67Å; C192-R197 HydrophobicContact CB-CG 4.35Å; C192-R197 PolarHBondContact SG-NH1 3.14Å |
| 198 | K | 87.6 | Confident | 87.3 | Confident | 152 Ų | 152 | 57.4 Ų | 57.4 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 133 | 173.4 | -64.2 | -173.6 | 178.8 | -177.7 | 0 | 110.2 | ||
| 199 | L | 90.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.2 | 179.2 | -57.4 | 166.5 | 0 | 0 | 0 | 107.9 | I33 T37 Y54 Y91 S187 G188 L190 | I33-L199 HydrophobicContact CG2-CD2 4.42Å; T37-L199 HydrophobicContact CG2-CD2 3.86Å; Y54-L199 HydrophobicContact CD1-CD1 3.54Å; Y54-L199 HydrophobicContact CD1-CD2 3.89Å; Y54-L199 HydrophobicContact CD1-CG 4.35Å; Y54-L199 HydrophobicContact CE1-CD1 3.86Å; Y54-L199 HydrophobicContact CG-CD2 4.48Å; Y91-L199 HydrophobicContact CD1-CD1 3.83Å; Y91-L199 HydrophobicContact CE1-CB 4.39Å; Y91-L199 HydrophobicContact CE1-CD1 3.73Å; S187-L199 CarbonylContact C-O 3.51Å; S187-L199 WeakPolarHBondContact CA-O 3.21Å; G188-L199 PolarHBondContact N-O 3.11Å; G188-L199 PolarHBondContact O-N 3.37Å; L190-L199 HydrophobicContact CB-CD1 4.19Å |
| 200 | H | 90.6 | Very high | 87.6 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 127 | 178.4 | -61.4 | -65.7 | 0 | 0 | 0 | 110.5 | L186 S187 F202 | L186-H200 CarbonylContact O-C 3.51Å; L186-H200 WeakPolarHBondContact O-CA 3.31Å; S187-H200 PolarHBondContact OG-ND1 3.25Å; H200-F202 HydrophobicContact CB-CD2 4.38Å; H200-F202 HydrophobicContact CB-CE2 3.61Å; H200-F202 HydrophobicContact CB-CZ 3.92Å |
| 201 | T | 92.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.3 | 162.1 | 82.6 | 0 | 0 | 0 | 0 | 107.7 | Y53 R185 L186 Y216 | Y53-T201 HydrophobicContact CD1-CG2 3.72Å; Y53-T201 HydrophobicContact CD2-CG2 3.97Å; Y53-T201 HydrophobicContact CE1-CG2 4.16Å; Y53-T201 HydrophobicContact CE2-CG2 4.38Å; Y53-T201 HydrophobicContact CG-CG2 3.62Å; R185-T201 WeakPolarHBondContact CA-O 3.26Å; R185-T201 WeakPolarHBondContact CB-O 3.4Å; L186-T201 HydrophobicContact CB-CG2 4.21Å; L186-T201 WeakPolarHBondContact CB-OG1 3.4Å; L186-T201 PolarHBondContact N-O 3.08Å; L186-T201 VanDerWaalsContact N-O 3.15Å; L186-T201 PolarHBondContact N-OG1 2.87Å; L186-T201 PolarHBondContact O-N 3.36Å; T201-Y216 HydrophobicContact CG2-CE1 4.18Å; T201-Y216 WeakPolarHBondContact OG1-CE1 3.49Å; T201-Y216 PolarHBondContact OG1-OH 3.4Å; T201-Y216 VanDerWaalsContact OG1-OH 3.09Å |
| 202 | F | 92.7 | Very high | 88.9 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.4 | 177.3 | -66.3 | -84.7 | 0 | 0 | 0 | 109.2 | Q58 R185 H200 | Q58-F202 PolarHBondContact NE2-O 2.88Å; R185-F202 HydrophobicContact CB-CD1 4.07Å; R185-F202 HydrophobicContact CB-CE1 4.24Å; H200-F202 HydrophobicContact CB-CD2 4.38Å; H200-F202 HydrophobicContact CB-CE2 3.61Å; H200-F202 HydrophobicContact CB-CZ 3.92Å |
| 203 | V | 94.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | trans | -84.4 | 115.8 | 162.5 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | I60 Y171 S184 K205 W207 I208 V214 | I60-V203 HydrophobicContact CD1-CG1 4.32Å; Y171-V203 HydrophobicContact CE2-CG1 4.31Å; Y171-V203 WeakPolarHBondContact OH-CG2 3.46Å; S184-V203 PolarHBondContact O-N 2.87Å; V203-K205 PolarHBondContact O-N 2.85Å; V203-W207 HydrophobicContact CG1-CB 4.18Å; V203-I208 HydrophobicContact CB-CD1 4.38Å; V203-I208 HydrophobicContact CB-CG1 4.25Å; V203-I208 HydrophobicContact CG1-CD1 4.39Å; V203-I208 HydrophobicContact CG1-CG1 3.73Å; V203-V214 HydrophobicContact CG1-CG2 3.89Å; V203-V214 HydrophobicContact CG2-CB 4.44Å; V203-V214 HydrophobicContact CG2-CG1 4.05Å; V203-V214 HydrophobicContact CG2-CG2 3.95Å | ||
| 204 | V | 92.2 | Very high | 91 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | trans | -60 | 130.6 | 178 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | K206 W207 | V204-K206 HydrophobicContact CG1-CG 4.07Å; V204-K206 PolarHBondContact O-N 2.88Å; V204-W207 WeakPolarHBondContact O-CB 3.49Å; V204-W207 PolarHBondContact O-N 2.96Å | ||
| 205 | K | 92.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 46 Ų | 46 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -50 | -34.9 | -170.6 | -65.4 | -179.8 | 168 | -158.3 | 0 | 114.9 | L180 V203 W207 I208 | L180-K205 HydrophobicContact CD2-CB 3.75Å; L180-K205 WeakPolarHBondContact O-CD 3.44Å; L180-K205 VanDerWaalsContact O-CE 3.31Å; L180-K205 WeakPolarHBondContact O-CE 3.17Å; L180-K205 PolarHBondContact O-NZ 2.89Å; V203-K205 PolarHBondContact O-N 2.85Å; K205-W207 PolarHBondContact O-N 3.27Å; K205-W207 VanDerWaalsContact O-N 3.16Å; K205-I208 PolarHBondContact O-N 2.91Å; K205-I208 VanDerWaalsContact O-N 3.1Å |
| 206 | K | 91.9 | Very high | 92.6 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 39% | 0.391 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -59.5 | -24.6 | 177.9 | 73.5 | 179.6 | -178 | 178.4 | 0 | 113.8 | E44 V204 | E44-K206 WeakPolarHBondContact OE1-CE 3.32Å; E44-K206 IonicContact OE1-NZ 2.7Å; E44-K206 PolarHBondContact OE1-NZ 2.85Å; E44-K206 IonicContact OE2-NZ 2.83Å; E44-K206 PolarHBondContact OE2-NZ 3.13Å; V204-K206 HydrophobicContact CG1-CG 4.07Å; V204-K206 PolarHBondContact O-N 2.88Å |
| 207 | W | 94.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.038 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -88.4 | -16.7 | 179.8 | -67 | 117.6 | 0 | 0 | 0 | 113.2 | E44 N45 A49 I60 V62 V203 V204 K205 K209 T212 | E44-W207 HydrophobicContact CG-CZ2 3.85Å; E44-W207 WeakPolarHBondContact OE1-CZ2 3.27Å; E44-W207 PolarHBondContact OE1-NE1 3.36Å; N45-W207 VanDerWaalsContact O-CH2 3.25Å; N45-W207 WeakPolarHBondContact O-CH2 3.36Å; A49-W207 HydrophobicContact CB-CZ2 3.94Å; I60-W207 HydrophobicContact CD1-CB 4.12Å; I60-W207 HydrophobicContact CD1-CG 3.88Å; I60-W207 HydrophobicContact CG2-CB 3.87Å; I60-W207 HydrophobicContact CG2-CD2 3.74Å; I60-W207 HydrophobicContact CG2-CE3 3.76Å; I60-W207 HydrophobicContact CG2-CG 3.8Å; V62-W207 HydrophobicContact CG1-CE3 3.51Å; V62-W207 HydrophobicContact CG1-CZ3 3.42Å; V62-W207 VanDerWaalsContact CG1-CZ3 3.42Å; V203-W207 HydrophobicContact CG1-CB 4.18Å; V204-W207 WeakPolarHBondContact O-CB 3.49Å; V204-W207 PolarHBondContact O-N 2.96Å; K205-W207 PolarHBondContact O-N 3.27Å; K205-W207 VanDerWaalsContact O-N 3.16Å; W207-K209 VanDerWaalsContact C-N 3.3Å; W207-K209 PolarHBondContact O-N 2.9Å; W207-T212 WeakPolarHBondContact O-CB 3.49Å; W207-T212 WeakPolarHBondContact O-CG2 3.36Å; W207-T212 PolarHBondContact O-OG1 2.86Å |
| 208 | I | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -77 | 82.9 | 179.9 | -55 | 179.4 | 0 | 0 | 0 | 108.6 | Y171 M174 G179 F182 V203 K205 | Y171-I208 HydrophobicContact CD1-CG2 3.75Å; Y171-I208 HydrophobicContact CE1-CG2 3.77Å; Y171-I208 HydrophobicContact CE2-CG1 4.41Å; Y171-I208 HydrophobicContact CG-CG2 4.17Å; M174-I208 HydrophobicContact SD-CG2 3.67Å; G179-I208 WeakPolarHBondContact CA-O 3.44Å; F182-I208 HydrophobicContact CB-CD1 3.91Å; F182-I208 HydrophobicContact CB-CG2 4.26Å; V203-I208 HydrophobicContact CB-CD1 4.38Å; V203-I208 HydrophobicContact CB-CG1 4.25Å; V203-I208 HydrophobicContact CG1-CD1 4.39Å; V203-I208 HydrophobicContact CG1-CG1 3.73Å; K205-I208 PolarHBondContact O-N 2.91Å; K205-I208 VanDerWaalsContact O-N 3.1Å | ||
| 209 | K | 93.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 27% | 0.274 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -146.7 | 164.8 | 179.9 | 63.3 | -178 | -179.8 | -177.5 | 0 | 110 | V62 Y171 W207 G211 T212 | V62-K209 VanDerWaalsContact CG1-CE 3.45Å; Y171-K209 WeakPolarHBondContact CB-O 3.37Å; W207-K209 VanDerWaalsContact C-N 3.3Å; W207-K209 PolarHBondContact O-N 2.9Å; K209-G211 PolarHBondContact O-N 2.88Å; K209-T212 WeakPolarHBondContact CG-OG1 3.19Å; K209-T212 VanDerWaalsContact O-CB 3.32Å; K209-T212 WeakPolarHBondContact O-CB 3.03Å; K209-T212 PolarHBondContact O-N 2.87Å; K209-T212 VanDerWaalsContact O-N 3.11Å; K209-T212 PolarHBondContact O-OG1 2.62Å |
| 210 | S | 94.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 135.2 | -176.8 | -165.1 | 0 | 0 | 0 | 0 | 111.6 | N173 M174 T212 | N173-S210 WeakPolarHBondContact CA-OG 3.22Å; N173-S210 PolarHBondContact N-OG 2.72Å; M174-S210 VanDerWaalsContact O-CB 3.26Å; M174-S210 WeakPolarHBondContact O-CB 2.94Å; M174-S210 PolarHBondContact O-N 2.75Å; S210-T212 PolarHBondContact O-N 3.43Å |
| 211 | G | 95.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 35 Ų | 35 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | V62 N63 Q64 Y171 K209 | V62-G211 CarbonylContact C-O 3.6Å; N63-G211 PolarHBondContact N-O 2.82Å; Q64-G211 PolarHBondContact N-O 2.79Å; Y171-G211 PolarHBondContact O-N 3.28Å; K209-G211 PolarHBondContact O-N 2.88Å |
| 212 | T | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.6 | 170.4 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | I60 R61 Y170 Y171 W207 K209 S210 V214 | I60-T212 HydrophobicContact CG2-CG2 3.65Å; R61-T212 CarbonylContact O-C 3.58Å; R61-T212 WeakPolarHBondContact O-CA 3.43Å; Y170-T212 WeakPolarHBondContact CD2-O 3.41Å; Y171-T212 HydrophobicContact CD2-CG2 4.2Å; Y171-T212 PolarHBondContact N-O 2.79Å; Y171-T212 VanDerWaalsContact N-O 3.08Å; W207-T212 WeakPolarHBondContact O-CB 3.49Å; W207-T212 WeakPolarHBondContact O-CG2 3.36Å; W207-T212 PolarHBondContact O-OG1 2.86Å; K209-T212 WeakPolarHBondContact CG-OG1 3.19Å; K209-T212 VanDerWaalsContact O-CB 3.32Å; K209-T212 WeakPolarHBondContact O-CB 3.03Å; K209-T212 PolarHBondContact O-N 2.87Å; K209-T212 VanDerWaalsContact O-N 3.11Å; K209-T212 PolarHBondContact O-OG1 2.62Å; S210-T212 PolarHBondContact O-N 3.43Å; T212-V214 HydrophobicContact CG2-CG2 4.16Å |
| 213 | L | 96.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.4 | 168.6 | -179 | 65.1 | 0 | 0 | 0 | 109.1 | I60 R61 Q64 P67 Y170 E215 | I60-L213 WeakPolarHBondContact CA-O 3.33Å; R61-L213 PolarHBondContact N-O 2.89Å; R61-L213 PolarHBondContact O-N 2.95Å; Q64-L213 HydrophobicContact CB-CB 3.9Å; Q64-L213 HydrophobicContact CB-CD2 4.47Å; Q64-L213 HydrophobicContact CG-CB 3.92Å; Q64-L213 HydrophobicContact CG-CD2 4.46Å; P67-L213 HydrophobicContact CB-CD1 4.35Å; P67-L213 HydrophobicContact CG-CD1 3.88Å; Y170-L213 HydrophobicContact CD2-CB 4.24Å; Y170-L213 HydrophobicContact CD2-CD1 4.24Å; L213-E215 HydrophobicContact CD1-CG 4.4Å; L213-E215 HydrophobicContact CD2-CG 3.95Å; L213-E215 HydrophobicContact CG-CG 3.79Å |
| 214 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.2 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | Q58 I59 I60 S168 V169 Y171 V203 T212 Y216 | Q58-V214 HydrophobicContact CG-CG1 3.79Å; I59-V214 CarbonylContact O-C 3.51Å; I59-V214 WeakPolarHBondContact O-CA 3.29Å; I60-V214 HydrophobicContact CG1-CG1 4.27Å; I60-V214 HydrophobicContact CG1-CG2 4.15Å; I60-V214 HydrophobicContact CG2-CG2 4.4Å; S168-V214 CarbonylContact C-O 3.57Å; S168-V214 WeakPolarHBondContact CA-O 3.44Å; V169-V214 HydrophobicContact CB-CB 4.25Å; V169-V214 PolarHBondContact N-O 2.96Å; V169-V214 PolarHBondContact O-N 3.48Å; Y171-V214 HydrophobicContact CE2-CG2 3.88Å; V203-V214 HydrophobicContact CG1-CG2 3.89Å; V203-V214 HydrophobicContact CG2-CB 4.44Å; V203-V214 HydrophobicContact CG2-CG1 4.05Å; V203-V214 HydrophobicContact CG2-CG2 3.95Å; T212-V214 HydrophobicContact CG2-CG2 4.16Å; V214-Y216 HydrophobicContact CG1-CD2 4.4Å; V214-Y216 HydrophobicContact CG1-CE2 3.72Å |
| 215 | E | 96.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.5 | -178.5 | -55.3 | 179.2 | 97.9 | 0 | 0 | 109 | Q58 I59 R61 K166 I167 L213 | Q58-E215 CarbonylContact C-O 3.57Å; Q58-E215 WeakPolarHBondContact CA-O 3.28Å; I59-E215 HydrophobicContact CB-CB 4.43Å; I59-E215 PolarHBondContact N-O 3.35Å; I59-E215 PolarHBondContact O-N 3.09Å; R61-E215 IonicContact NE-OE2 3.58Å; K166-E215 WeakPolarHBondContact CE-OE1 3.43Å; K166-E215 IonicContact NZ-OE1 2.89Å; K166-E215 PolarHBondContact NZ-OE1 3.48Å; I167-E215 CarbonylContact O-C 3.57Å; I167-E215 WeakPolarHBondContact O-CA 3.36Å; L213-E215 HydrophobicContact CD1-CG 4.4Å; L213-E215 HydrophobicContact CD2-CG 3.95Å; L213-E215 HydrophobicContact CG-CG 3.79Å |
| 216 | Y | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.2 | 171.5 | -56.5 | -90.2 | 0 | 0 | 0 | 108.6 | S57 Q58 I167 V169 L186 T201 V214 | S57-Y216 VanDerWaalsContact O-CA 3.28Å; S57-Y216 WeakPolarHBondContact O-CA 3.01Å; Q58-Y216 HydrophobicContact CB-CD1 3.93Å; Q58-Y216 HydrophobicContact CB-CE1 3.83Å; Q58-Y216 HydrophobicContact CG-CD1 4.07Å; Q58-Y216 HydrophobicContact CG-CE1 3.61Å; Q58-Y216 PolarHBondContact NE2-OH 2.9Å; I167-Y216 HydrophobicContact CB-CD2 4.34Å; I167-Y216 HydrophobicContact CG2-CD2 4.17Å; I167-Y216 PolarHBondContact N-O 3.09Å; I167-Y216 PolarHBondContact O-N 3.04Å; V169-Y216 HydrophobicContact CG2-CE2 4.29Å; L186-Y216 HydrophobicContact CB-CE1 4.27Å; L186-Y216 HydrophobicContact CD2-CD1 3.93Å; L186-Y216 HydrophobicContact CD2-CD2 4.35Å; L186-Y216 HydrophobicContact CD2-CE1 4.29Å; L186-Y216 HydrophobicContact CD2-CG 3.95Å; T201-Y216 HydrophobicContact CG2-CE1 4.18Å; T201-Y216 WeakPolarHBondContact OG1-CE1 3.49Å; T201-Y216 PolarHBondContact OG1-OH 3.4Å; T201-Y216 VanDerWaalsContact OG1-OH 3.09Å; V214-Y216 HydrophobicContact CG1-CD2 4.4Å; V214-Y216 HydrophobicContact CG1-CE2 3.72Å |
| 217 | E | 93.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.7 | 179.6 | -69.1 | -175.9 | -179.3 | 0 | 0 | 109.9 | Y56 S57 K166 S219 | Y56-E217 CarbonylContact C-O 3.6Å; Y56-E217 VanDerWaalsContact CA-O 3.24Å; Y56-E217 WeakPolarHBondContact CA-O 3.37Å; S57-E217 PolarHBondContact N-O 3.04Å; S57-E217 PolarHBondContact O-N 2.05Å; S57-E217 PolarHBondContact OG-O 3.15Å; K166-E217 HydrophobicContact CD-CG 4.02Å; K166-E217 VanDerWaalsContact CE-OE1 3.24Å; K166-E217 WeakPolarHBondContact CE-OE1 3.15Å; K166-E217 HydrophobicContact CG-CG 4.07Å; K166-E217 IonicContact NZ-OE1 3.23Å; K166-E217 PolarHBondContact NZ-OE1 2.94Å; E217-S219 PolarHBondContact O-N 3.33Å |
| 218 | V | 92.9 | Very high | 92.2 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 119.5 | 178.7 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | H55 Y56 G220 | H55-V218 WeakPolarHBondContact O-CA 2.99Å; Y56-V218 HydrophobicContact CD1-CG2 4.34Å; Y56-V218 HydrophobicContact CE1-CG2 3.88Å; V218-G220 VanDerWaalsContact C-N 3.26Å; V218-G220 PolarHBondContact O-N 3.12Å |
| 219 | S | 91.3 | Very high | 92 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | trans | -76.1 | -17.1 | -176.1 | -50.9 | 0 | 0 | 0 | 0 | 113.9 | Q52 H55 S57 E217 D221 C222 | Q52-S219 PolarHBondContact NE2-OG 3.02Å; H55-S219 PolarHBondContact O-N 3.48Å; S57-S219 PolarHBondContact N-OG 2.72Å; E217-S219 PolarHBondContact O-N 3.33Å; S219-D221 PolarHBondContact O-N 2.93Å; S219-C222 PolarHBondContact O-N 3.03Å | ||
| 220 | G | 88.1 | Confident | 91.9 | Very high | 37 Ų | 37 | 42 Ų | 42 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -133.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V218 | V218-G220 VanDerWaalsContact C-N 3.26Å; V218-G220 PolarHBondContact O-N 3.12Å |
| 221 | D | 87.6 | Confident | 91.7 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 41% | 0.406 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.8 | 179.3 | -65.3 | -35.2 | 0 | 0 | 0 | 113.4 | S219 K224 | S219-D221 PolarHBondContact O-N 2.93Å; D221-K224 HydrophobicContact CB-CD 4.23Å; D221-K224 WeakPolarHBondContact O-CA 3.41Å; D221-K224 VanDerWaalsContact O-CB 3.26Å; D221-K224 WeakPolarHBondContact O-CB 3.2Å; D221-K224 PolarHBondContact O-N 2.84Å; D221-K224 WeakPolarHBondContact OD1-CD 3.32Å; D221-K224 WeakPolarHBondContact OD1-CE 3.04Å; D221-K224 IonicContact OD1-NZ 3.04Å; D221-K224 PolarHBondContact OD1-NZ 3.26Å |
| 222 | C | 90 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -51 | -51.4 | -176.4 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | S219 K224 H225 C241 C250 | S219-C222 PolarHBondContact O-N 3.03Å; C222-K224 PolarHBondContact O-N 3.17Å; C222-H225 PolarHBondContact O-N 2.96Å; C222-H225 VanDerWaalsContact O-N 3.08Å; C222-C241 VanDerWaalsContact CA-SG 3.5Å; C222-C241 HydrophobicContact CB-CB 3.8Å; C222-C241 WeakPolarHBondContact CB-SG 3.41Å; C222-C241 VanDerWaalsContact SG-CA 3.52Å; C222-C241 WeakPolarHBondContact SG-CB 3.29Å; C222-C241 CovalentContact SG-SG 2.04Å; C222-C241 PolarHBondContact SG-SG 2.72Å; C222-C250 CarbonylContact C-O 3.49Å; C222-C250 WeakPolarHBondContact O-CB 3.18Å; C222-C250 PolarHBondContact O-SG 3.03Å |
| 223 | P | 89.2 | Confident | 90.7 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -66.9 | -9.7 | -177.6 | -18.5 | 33.4 | 0 | 0 | 0 | 114.8 | Q52 C250 | Q52-P223 VanDerWaalsContact CD-CG 3.48Å; Q52-P223 HydrophobicContact CG-CB 4.16Å; Q52-P223 HydrophobicContact CG-CG 4.05Å; P223-C250 WeakPolarHBondContact CA-O 3.35Å |
| 224 | K | 85.6 | Confident | 89.8 | Confident | 123 Ų | 123 | 52 Ų | 52 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -86.3 | -16.4 | 178 | -54.1 | 178.6 | -177.6 | 168.9 | 0 | 112.4 | D221 C222 D226 | D221-K224 HydrophobicContact CB-CD 4.23Å; D221-K224 WeakPolarHBondContact O-CA 3.41Å; D221-K224 VanDerWaalsContact O-CB 3.26Å; D221-K224 WeakPolarHBondContact O-CB 3.2Å; D221-K224 PolarHBondContact O-N 2.84Å; D221-K224 WeakPolarHBondContact OD1-CD 3.32Å; D221-K224 WeakPolarHBondContact OD1-CE 3.04Å; D221-K224 IonicContact OD1-NZ 3.04Å; D221-K224 PolarHBondContact OD1-NZ 3.26Å; C222-K224 PolarHBondContact O-N 3.17Å; K224-D226 PolarHBondContact O-N 3.19Å |
| 225 | H | 88.6 | Confident | 88.3 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | trans | -79.3 | 119.3 | 176.4 | -54.1 | -47.1 | 0 | 0 | 0 | 109.4 | C222 I230 C231 S234 C250 | C222-H225 PolarHBondContact O-N 2.96Å; C222-H225 VanDerWaalsContact O-N 3.08Å; H225-I230 HydrophobicContact CB-CB 4.39Å; H225-I230 HydrophobicContact CB-CG2 3.97Å; H225-I230 VanDerWaalsContact ND1-CG2 3.28Å; H225-I230 WeakPolarHBondContact ND1-CG2 3.43Å; H225-C231 HydrophobicContact CB-CB 4.15Å; H225-S234 PolarHBondContact CD2-OG 3.1Å; H225-S234 WeakPolarHBondContact NE2-CB 3.26Å; H225-S234 PolarHBondContact NE2-OG 3.36Å; H225-C250 HydrophobicContact CB-CB 3.94Å | ||
| 226 | D | 87.8 | Confident | 86.8 | Confident | 126 Ų | 126 | 63.1 Ų | 63.1 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | trans | -96.2 | -3.1 | -173.4 | 62.6 | -6.4 | 0 | 0 | 0 | 113.8 | K224 W243 | K224-D226 PolarHBondContact O-N 3.19Å; D226-W243 WeakPolarHBondContact O-CH2 3.49Å | ||
| 227 | S | 90.2 | Very high | 85.2 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -134.6 | 154.3 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | E229 I230 C231 | S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact O-N 3.38Å; S227-I230 WeakPolarHBondContact OG-CB 3.2Å; S227-I230 WeakPolarHBondContact OG-CD1 3.37Å; S227-I230 WeakPolarHBondContact OG-CG1 3.41Å; S227-C231 VanDerWaalsContact O-CB 3.3Å; S227-C231 WeakPolarHBondContact O-CB 3.41Å; S227-C231 PolarHBondContact O-N 3.38Å; S227-C231 VanDerWaalsContact O-N 3.07Å |
| 228 | M | 90.6 | Very high | 84.1 | Confident | 53 Ų | 53 | 74 Ų | 74 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -179 | 179.6 | 172.1 | 176.5 | 0 | 0 | 111.4 | C231 Q232 W243 | M228-C231 PolarHBondContact O-N 3.46Å; M228-Q232 HydrophobicContact CG-CG 4.48Å; M228-Q232 WeakPolarHBondContact O-CB 3.39Å; M228-Q232 VanDerWaalsContact O-CG 3.3Å; M228-Q232 WeakPolarHBondContact O-CG 3.44Å; M228-Q232 PolarHBondContact O-N 3.11Å; M228-W243 HydrophobicContact CB-CB 4.34Å; M228-W243 HydrophobicContact CB-CD2 3.93Å; M228-W243 HydrophobicContact CB-CG 3.78Å; M228-W243 HydrophobicContact CG-CB 3.95Å; M228-W243 HydrophobicContact CG-CD2 4.47Å; M228-W243 HydrophobicContact CG-CG 3.8Å |
| 229 | E | 90.8 | Very high | 83.5 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -52.3 | -178.3 | -62.3 | 73.1 | -160.8 | 0 | 0 | 110.3 | S227 C231 Q232 E233 | S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 PolarHBondContact O-N 3.38Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 3.12Å; E229-Q232 PolarHBondContact O-N 3.33Å; E229-E233 WeakPolarHBondContact O-CB 3.39Å; E229-E233 WeakPolarHBondContact O-CG 3.32Å; E229-E233 PolarHBondContact O-N 3.25Å |
| 230 | I | 90.2 | Very high | 83.4 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 40% | 0.4 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.8 | -60.9 | 177 | 0 | 0 | 0 | 110.6 | H225 S227 Q232 E233 S234 | H225-I230 HydrophobicContact CB-CB 4.39Å; H225-I230 HydrophobicContact CB-CG2 3.97Å; H225-I230 VanDerWaalsContact ND1-CG2 3.28Å; H225-I230 WeakPolarHBondContact ND1-CG2 3.43Å; S227-I230 WeakPolarHBondContact OG-CB 3.2Å; S227-I230 WeakPolarHBondContact OG-CD1 3.37Å; S227-I230 WeakPolarHBondContact OG-CG1 3.41Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 2.95Å; I230-E233 PolarHBondContact O-N 2.99Å; I230-S234 WeakPolarHBondContact O-CB 3.07Å; I230-S234 PolarHBondContact O-N 3.42Å; I230-S234 PolarHBondContact O-OG 3.48Å |
| 231 | C | 90.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | H225 S227 M228 E229 S234 W243 C250 | H225-C231 HydrophobicContact CB-CB 4.15Å; S227-C231 VanDerWaalsContact O-CB 3.3Å; S227-C231 WeakPolarHBondContact O-CB 3.41Å; S227-C231 PolarHBondContact O-N 3.38Å; S227-C231 VanDerWaalsContact O-N 3.07Å; M228-C231 PolarHBondContact O-N 3.46Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 3.12Å; C231-S234 PolarHBondContact O-OG 3.48Å; C231-S234 VanDerWaalsContact O-OG 3.13Å; C231-W243 HydrophobicContact CB-CB 4.42Å; C231-W243 HydrophobicContact CB-CE3 3.88Å; C231-W243 PolarHBondContact SG-N 3.41Å; C231-W243 VanDerWaalsContact SG-N 3.39Å; C231-C250 HydrophobicContact CB-CB 3.57Å; C231-C250 WeakPolarHBondContact CB-SG 3.5Å; C231-C250 VanDerWaalsContact SG-CA 3.56Å; C231-C250 WeakPolarHBondContact SG-CB 3.25Å; C231-C250 CovalentContact SG-SG 2.02Å; C231-C250 PolarHBondContact SG-SG 3.42Å |
| 232 | Q | 86.2 | Confident | 83.6 | Confident | 100 Ų | 100 | 78.5 Ų | 78.5 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -80.8 | -32.7 | -179.7 | -73.3 | -179.9 | -14.9 | 0 | 0 | 112.6 | M228 E229 I230 | M228-Q232 HydrophobicContact CG-CG 4.48Å; M228-Q232 WeakPolarHBondContact O-CB 3.39Å; M228-Q232 VanDerWaalsContact O-CG 3.3Å; M228-Q232 WeakPolarHBondContact O-CG 3.44Å; M228-Q232 PolarHBondContact O-N 3.11Å; E229-Q232 PolarHBondContact O-N 3.33Å; I230-Q232 VanDerWaalsContact C-N 3.33Å; I230-Q232 PolarHBondContact O-N 2.95Å |
| 233 | E | 84.1 | Confident | 83.7 | Confident | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -76.4 | -24.2 | 176.7 | -70.4 | -179.4 | 179.8 | 0 | 0 | 112.7 | E229 I230 K235 | E229-E233 WeakPolarHBondContact O-CB 3.39Å; E229-E233 WeakPolarHBondContact O-CG 3.32Å; E229-E233 PolarHBondContact O-N 3.25Å; I230-E233 PolarHBondContact O-N 2.99Å; E233-K235 PolarHBondContact O-N 2.99Å |
| 234 | S | 77.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 79 Ų | 79 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | trans | -74.4 | 89.5 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | H225 I230 C231 | H225-S234 PolarHBondContact CD2-OG 3.1Å; H225-S234 WeakPolarHBondContact NE2-CB 3.26Å; H225-S234 PolarHBondContact NE2-OG 3.36Å; I230-S234 WeakPolarHBondContact O-CB 3.07Å; I230-S234 PolarHBondContact O-N 3.42Å; I230-S234 PolarHBondContact O-OG 3.48Å; C231-S234 PolarHBondContact O-OG 3.48Å; C231-S234 VanDerWaalsContact O-OG 3.13Å | ||
| 235 | K | 65.6 | Low | 83.9 | Confident | 191 Ų | 191 | 77.6 Ų | 77.6 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | B | Isolated β-bridge | trans | -97.4 | 103.3 | 167.9 | -66.4 | 179.7 | -175.4 | 173.9 | 0 | 109.4 | E233 | E233-K235 PolarHBondContact O-N 2.99Å |
| 236 | T | 65.6 | Low | 83.9 | Confident | 64 Ų | 64 | 84 Ų | 84 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | trans | -87.2 | 156.3 | 161.4 | 73.3 | 0 | 0 | 0 | 0 | 109.5 | N238 T239 | T236-N238 PolarHBondContact O-N 2.98Å; T236-T239 PolarHBondContact OG1-N 3.34Å; T236-T239 PolarHBondContact OG1-O 3.29Å | ||
| 237 | S | 61.5 | Low | 83.9 | Confident | 118 Ų | 118 | 79 Ų | 79 | 83% | 0.825 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -63.8 | -23.6 | -179.5 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 238 | N | 71.3 | Confident | 83.9 | Confident | 147 Ų | 147 | 83.1 Ų | 83.1 | 79% | 0.786 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -115.9 | -25.3 | -168.2 | -62.6 | 3.5 | 0 | 0 | 0 | 113.6 | T236 | T236-N238 PolarHBondContact O-N 2.98Š|
| 239 | T | 81.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 13% | 0.129 | 41% | 0.409 | C | S | . | . | trans | -128.2 | 120.1 | -176.3 | -51.4 | 0 | 0 | 0 | 0 | 109.4 | T236 V252 | T236-T239 PolarHBondContact OG1-N 3.34Å; T236-T239 PolarHBondContact OG1-O 3.29Å; T239-V252 HydrophobicContact CG2-CB 4.38Å; T239-V252 HydrophobicContact CG2-CG1 3.79Å; T239-V252 HydrophobicContact CG2-CG2 3.87Å | ||
| 240 | K | 87.4 | Confident | 83.9 | Confident | 155 Ų | 155 | 76 Ų | 76 | 67% | 0.674 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -86.1 | 129.7 | 170.7 | -70 | 177.7 | -176 | 171 | 0 | 108.8 | S253 | K240-S253 WeakPolarHBondContact O-CB 3.26Å; K240-S253 PolarHBondContact O-N 3.32Å |
| 241 | C | 89.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 153.2 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | C222 I251 | C222-C241 VanDerWaalsContact CA-SG 3.5Å; C222-C241 HydrophobicContact CB-CB 3.8Å; C222-C241 WeakPolarHBondContact CB-SG 3.41Å; C222-C241 VanDerWaalsContact SG-CA 3.52Å; C222-C241 WeakPolarHBondContact SG-CB 3.29Å; C222-C241 CovalentContact SG-SG 2.04Å; C222-C241 PolarHBondContact SG-SG 2.72Å; C241-I251 CarbonylContact C-O 3.49Å; C241-I251 WeakPolarHBondContact CA-O 3.36Å |
| 242 | M | 90.6 | Very high | 83.9 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.3 | 175.8 | -173.1 | -166.9 | -38.2 | 0 | 0 | 109.9 | I251 S253 | M242-I251 PolarHBondContact N-O 3.07Å; M242-I251 WeakPolarHBondContact O-CG1 3.05Å; M242-I251 PolarHBondContact O-N 3.25Å; M242-S253 WeakPolarHBondContact CE-OG 3.49Å |
| 243 | W | 92.2 | Very high | 83.9 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.9 | 174.7 | -173.3 | -108.4 | 0 | 0 | 0 | 111.3 | D226 M228 C231 N248 C250 | D226-W243 WeakPolarHBondContact O-CH2 3.49Å; M228-W243 HydrophobicContact CB-CB 4.34Å; M228-W243 HydrophobicContact CB-CD2 3.93Å; M228-W243 HydrophobicContact CB-CG 3.78Å; M228-W243 HydrophobicContact CG-CB 3.95Å; M228-W243 HydrophobicContact CG-CD2 4.47Å; M228-W243 HydrophobicContact CG-CG 3.8Å; C231-W243 HydrophobicContact CB-CB 4.42Å; C231-W243 HydrophobicContact CB-CE3 3.88Å; C231-W243 PolarHBondContact SG-N 3.41Å; C231-W243 VanDerWaalsContact SG-N 3.39Å; W243-N248 WeakPolarHBondContact CZ2-OD1 3.49Å; W243-C250 HydrophobicContact CE3-CB 3.85Å; W243-C250 HydrophobicContact CZ3-CB 4.08Å |
| 244 | Y | 90.4 | Very high | 83.4 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 98.5 | 177.8 | -172.7 | -101.5 | 0 | 0 | 0 | 111 | V42 F43 K246 A247 N248 M249 I251 F261 | V42-Y244 HydrophobicContact CG1-CD1 3.56Å; V42-Y244 HydrophobicContact CG1-CE1 3.79Å; V42-Y244 HydrophobicContact CG1-CG 4.29Å; F43-Y244 HydrophobicContact CB-CE1 4.44Å; F43-Y244 WeakPolarHBondContact CB-OH 3.28Å; F43-Y244 HydrophobicContact CD1-CD2 4.43Å; F43-Y244 HydrophobicContact CD1-CE1 4.06Å; F43-Y244 AromaticContact CD1-CE2 3.85Å; F43-Y244 HydrophobicContact CD1-CE2 3.85Å; F43-Y244 AromaticContact CD1-CZ 3.69Å; F43-Y244 HydrophobicContact CE1-CD2 4.43Å; F43-Y244 HydrophobicContact CE1-CE2 4.15Å; F43-Y244 HydrophobicContact CG-CE2 4.31Å; F43-Y244 AromaticContact CG-CZ 3.99Å; Y244-K246 HydrophobicContact CD1-CB 4.28Å; Y244-K246 HydrophobicContact CE1-CB 3.57Å; Y244-K246 PolarHBondContact O-N 3.38Å; Y244-A247 HydrophobicContact CD1-CB 3.53Å; Y244-A247 HydrophobicContact CE1-CB 3.86Å; Y244-A247 PolarHBondContact O-N 2.97Å; Y244-N248 PolarHBondContact O-N 3.43Å; Y244-N248 VanDerWaalsContact O-N 3.1Å; Y244-M249 WeakPolarHBondContact CB-O 3.09Å; Y244-M249 PolarHBondContact N-O 3.18Å; Y244-M249 PolarHBondContact O-N 3.03Å; Y244-I251 HydrophobicContact CD2-CD1 4.28Å; Y244-I251 HydrophobicContact CG-CD1 4.29Å; Y244-F261 HydrophobicContact CD2-CD1 4.31Å; Y244-F261 AromaticContact CD2-CE1 3.98Å; Y244-F261 HydrophobicContact CD2-CE1 3.98Å; Y244-F261 HydrophobicContact CD2-CZ 4.26Å; Y244-F261 AromaticContact CE2-CD1 3.91Å; Y244-F261 HydrophobicContact CE2-CD1 3.91Å; Y244-F261 HydrophobicContact CE2-CD2 4.33Å; Y244-F261 AromaticContact CE2-CE1 3.21Å; Y244-F261 HydrophobicContact CE2-CE1 3.21Å; Y244-F261 AromaticContact CE2-CE2 3.73Å; Y244-F261 HydrophobicContact CE2-CE2 3.73Å; Y244-F261 HydrophobicContact CE2-CG 4.45Å; Y244-F261 AromaticContact CE2-CZ 3.15Å; Y244-F261 HydrophobicContact CE2-CZ 3.15Å; Y244-F261 AromaticContact CZ-CE1 3.86Å; Y244-F261 AromaticContact CZ-CZ 3.61Å; Y244-F261 VanDerWaalsContact OH-CZ 3.26Å; Y244-F261 WeakPolarHBondContact OH-CZ 3.05Å |
| 245 | E | 90 | Very high | 82.8 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -55.9 | -45.4 | -172.3 | -66 | -176.7 | 170.5 | 0 | 0 | 113.2 | A247 N248 | E245-A247 PolarHBondContact O-N 2.86Å; E245-A247 VanDerWaalsContact O-N 3.14Å; E245-N248 PolarHBondContact O-N 3.16Å |
| 246 | K | 88.1 | Confident | 82.4 | Confident | 168 Ų | 168 | 65.1 Ų | 65.1 | 73% | 0.73 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.7 | -27.2 | -175.3 | -71.3 | -179.2 | -179.9 | 174 | 0 | 113.7 | Y244 F261 | Y244-K246 HydrophobicContact CD1-CB 4.28Å; Y244-K246 HydrophobicContact CE1-CB 3.57Å; Y244-K246 PolarHBondContact O-N 3.38Å; K246-F261 HydrophobicContact CD-CE1 4.42Å; K246-F261 HydrophobicContact CD-CZ 4.48Å |
| 247 | A | 87.3 | Confident | 81.8 | Confident | 21 Ų | 21 | 67 Ų | 67 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -108.1 | 4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K40 V42 Y244 E245 M249 | K40-A247 PolarHBondContact NZ-O 3.07Å; K40-A247 VanDerWaalsContact NZ-O 3.08Å; V42-A247 HydrophobicContact CG1-CB 3.56Å; Y244-A247 HydrophobicContact CD1-CB 3.53Å; Y244-A247 HydrophobicContact CE1-CB 3.86Å; Y244-A247 PolarHBondContact O-N 2.97Å; E245-A247 PolarHBondContact O-N 2.86Å; E245-A247 VanDerWaalsContact O-N 3.14Å; A247-M249 VanDerWaalsContact C-N 3.31Å; A247-M249 HydrophobicContact CB-CB 4.46Å; A247-M249 HydrophobicContact CB-CE 4.41Å; A247-M249 PolarHBondContact O-N 3.35Å |
| 248 | N | 90.1 | Very high | 81.3 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 54.3 | -175.3 | -165.5 | 64.8 | 0 | 0 | 0 | 111.8 | W243 Y244 E245 | W243-N248 WeakPolarHBondContact CZ2-OD1 3.49Å; Y244-N248 PolarHBondContact O-N 3.43Å; Y244-N248 VanDerWaalsContact O-N 3.1Å; E245-N248 PolarHBondContact O-N 3.16Å |
| 249 | M | 90 | Very high | 80.3 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.6 | -170.1 | -178.4 | 165.7 | 59.2 | 0 | 0 | 111.9 | K40 V42 Q52 Y244 A247 I251 | K40-M249 HydrophobicContact CD-CE 3.83Å; K40-M249 HydrophobicContact CD-SD 3.98Å; K40-M249 HydrophobicContact CG-CE 4.47Å; V42-M249 HydrophobicContact CB-CE 4.13Å; V42-M249 HydrophobicContact CG1-CE 3.75Å; V42-M249 HydrophobicContact CG2-CE 3.24Å; Q52-M249 HydrophobicContact CB-CE 4.2Å; Q52-M249 HydrophobicContact CB-SD 4.48Å; Q52-M249 HydrophobicContact CG-SD 4.45Å; Y244-M249 WeakPolarHBondContact CB-O 3.09Å; Y244-M249 PolarHBondContact N-O 3.18Å; Y244-M249 PolarHBondContact O-N 3.03Å; A247-M249 VanDerWaalsContact C-N 3.31Å; A247-M249 HydrophobicContact CB-CB 4.46Å; A247-M249 HydrophobicContact CB-CE 4.41Å; A247-M249 PolarHBondContact O-N 3.35Å; M249-I251 HydrophobicContact CE-CG2 4.09Å; M249-I251 HydrophobicContact CG-CG2 4.32Å |
| 250 | C | 91.1 | Very high | 78.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.8 | 171.3 | -173.8 | 0 | 0 | 0 | 0 | 111 | C222 P223 H225 C231 W243 | C222-C250 CarbonylContact C-O 3.49Å; C222-C250 WeakPolarHBondContact O-CB 3.18Å; C222-C250 PolarHBondContact O-SG 3.03Å; P223-C250 WeakPolarHBondContact CA-O 3.35Å; H225-C250 HydrophobicContact CB-CB 3.94Å; C231-C250 HydrophobicContact CB-CB 3.57Å; C231-C250 WeakPolarHBondContact CB-SG 3.5Å; C231-C250 VanDerWaalsContact SG-CA 3.56Å; C231-C250 WeakPolarHBondContact SG-CB 3.25Å; C231-C250 CovalentContact SG-SG 2.02Å; C231-C250 PolarHBondContact SG-SG 3.42Å; W243-C250 HydrophobicContact CE3-CB 3.85Å; W243-C250 HydrophobicContact CZ3-CB 4.08Å |
| 251 | I | 91.2 | Very high | 76.8 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 167.3 | -174.9 | 62.3 | 169.2 | 0 | 0 | 0 | 111.4 | V42 F43 Y50 C241 M242 Y244 M249 | V42-I251 HydrophobicContact CG1-CG2 4.29Å; F43-I251 HydrophobicContact CE1-CD1 3.96Å; Y50-I251 HydrophobicContact CE1-CB 4.24Å; Y50-I251 HydrophobicContact CE1-CG2 3.92Å; Y50-I251 HydrophobicContact CE2-CB 4.47Å; Y50-I251 WeakPolarHBondContact OH-CB 3.41Å; C241-I251 CarbonylContact C-O 3.49Å; C241-I251 WeakPolarHBondContact CA-O 3.36Å; M242-I251 PolarHBondContact N-O 3.07Å; M242-I251 WeakPolarHBondContact O-CG1 3.05Å; M242-I251 PolarHBondContact O-N 3.25Å; Y244-I251 HydrophobicContact CD2-CD1 4.28Å; Y244-I251 HydrophobicContact CG-CD1 4.29Å; M249-I251 HydrophobicContact CE-CG2 4.09Å; M249-I251 HydrophobicContact CG-CG2 4.32Å |
| 252 | V | 90.5 | Very high | 74.3 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.9 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | Y50 T239 | Y50-V252 PolarHBondContact OH-N 2.96Å; T239-V252 HydrophobicContact CG2-CB 4.38Å; T239-V252 HydrophobicContact CG2-CG1 3.79Å; T239-V252 HydrophobicContact CG2-CG2 3.87Å |
| 253 | S | 86.5 | Confident | 71.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | trans | -70.6 | 132.8 | 172.5 | -163.5 | 0 | 0 | 0 | 0 | 110.1 | K240 M242 | K240-S253 WeakPolarHBondContact O-CB 3.26Å; K240-S253 PolarHBondContact O-N 3.32Å; M242-S253 WeakPolarHBondContact CE-OG 3.49Å | ||
| 254 | T | 73.7 | Confident | 68.9 | Low | 10 Ų | 10 | 77.2 Ų | 77.2 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | trans | -108.7 | 136.1 | -179 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | I59 K256 D257 | I59-T254 HydrophobicContact CD1-CG2 3.39Å; I59-T254 HydrophobicContact CG1-CG2 4.33Å; T254-K256 CarbonylContact O-C 3.57Å; T254-K256 PolarHBondContact O-N 2.94Å; T254-K256 PolarHBondContact OG1-O 3.31Å; T254-D257 PolarHBondContact O-N 3.49Å; T254-D257 VanDerWaalsContact O-N 3.15Å | ||
| 255 | D | 65.3 | Low | 66.2 | Low | 154 Ų | 154 | 81.7 Ų | 81.7 | 82% | 0.824 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -55.5 | -28.3 | -175.1 | -65.5 | -38 | 0 | 0 | 0 | 115.6 | D257 | D255-D257 PolarHBondContact O-N 3.01Š|
| 256 | K | 55.8 | Low | 63.6 | Low | 119 Ų | 119 | 83 Ų | 83 | 52% | 0.517 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -88 | 73.6 | 166.9 | -68.7 | 179.8 | -178.8 | 179.5 | 0 | 106.8 | T254 I258 | T254-K256 CarbonylContact O-C 3.57Å; T254-K256 PolarHBondContact O-N 2.94Å; T254-K256 PolarHBondContact OG1-O 3.31Å; K256-I258 PolarHBondContact O-N 3.44Å |
| 257 | D | 52.6 | Low | 60.8 | Low | 104 Ų | 104 | 82.5 Ų | 82.5 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | trans | -47 | 127.7 | 174.7 | -72.7 | -45.5 | 0 | 0 | 0 | 108.1 | T254 D255 D259 | T254-D257 PolarHBondContact O-N 3.49Å; T254-D257 VanDerWaalsContact O-N 3.15Å; D255-D257 PolarHBondContact O-N 3.01Å; D257-D259 PolarHBondContact O-N 2.87Å | ||
| 258 | I | 52.6 | Low | 58.1 | Low | 44 Ų | 44 | 89.7 Ų | 89.7 | 23% | 0.226 | 48% | 0.476 | C | S | . | . | trans | -64.9 | 107.8 | -174.1 | -52.3 | 153.1 | 0 | 0 | 0 | 106.4 | F43 K256 D260 F261 | F43-I258 HydrophobicContact CE2-CD1 3.72Å; F43-I258 HydrophobicContact CE2-CG1 4.46Å; F43-I258 HydrophobicContact CZ-CD1 3.58Å; K256-I258 PolarHBondContact O-N 3.44Å; I258-D260 HydrophobicContact CG2-CB 4.12Å; I258-D260 PolarHBondContact O-N 2.86Å; I258-F261 HydrophobicContact CB-CB 4.28Å; I258-F261 HydrophobicContact CB-CD2 3.66Å; I258-F261 HydrophobicContact CB-CG 4.46Å; I258-F261 HydrophobicContact CD1-CD2 3.58Å; I258-F261 HydrophobicContact CD1-CE2 4.13Å; I258-F261 HydrophobicContact CD1-CG 4.38Å; I258-F261 HydrophobicContact CG1-CD2 4.21Å; I258-F261 HydrophobicContact CG2-CD2 3.36Å; I258-F261 HydrophobicContact CG2-CE2 3.91Å; I258-F261 HydrophobicContact CG2-CG 4.45Å; I258-F261 PolarHBondContact O-N 3.26Å | ||
| 259 | D | 49.1 | Very low | 55.1 | Low | 165 Ų | 165 | 86.8 Ų | 86.8 | 88% | 0.882 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -21.2 | 179.5 | -82.1 | -40.8 | 0 | 0 | 0 | 112.6 | D257 | D257-D259 PolarHBondContact O-N 2.87Š|
| 260 | D | 47.9 | Very low | 52.1 | Low | 132 Ų | 132 | 94.1 Ų | 94.1 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.8 | 176 | -74.9 | -20.8 | 0 | 0 | 0 | 115.6 | I258 | I258-D260 HydrophobicContact CG2-CB 4.12Å; I258-D260 PolarHBondContact O-N 2.86Å |
| 261 | F | 47.8 | Very low | 49.2 | Very low | 61 Ų | 61 | 99.4 Ų | 99.4 | 27% | 0.268 | 55% | 0.55 | S | S | . | . | trans | -101.5 | 27.6 | -175.2 | -82.2 | -77.9 | 0 | 0 | 0 | 115.8 | Y244 K246 I258 V263 | Y244-F261 HydrophobicContact CD2-CD1 4.31Å; Y244-F261 AromaticContact CD2-CE1 3.98Å; Y244-F261 HydrophobicContact CD2-CE1 3.98Å; Y244-F261 HydrophobicContact CD2-CZ 4.26Å; Y244-F261 AromaticContact CE2-CD1 3.91Å; Y244-F261 HydrophobicContact CE2-CD1 3.91Å; Y244-F261 HydrophobicContact CE2-CD2 4.33Å; Y244-F261 AromaticContact CE2-CE1 3.21Å; Y244-F261 HydrophobicContact CE2-CE1 3.21Å; Y244-F261 AromaticContact CE2-CE2 3.73Å; Y244-F261 HydrophobicContact CE2-CE2 3.73Å; Y244-F261 HydrophobicContact CE2-CG 4.45Å; Y244-F261 AromaticContact CE2-CZ 3.15Å; Y244-F261 HydrophobicContact CE2-CZ 3.15Å; Y244-F261 AromaticContact CZ-CE1 3.86Å; Y244-F261 AromaticContact CZ-CZ 3.61Å; Y244-F261 VanDerWaalsContact OH-CZ 3.26Å; Y244-F261 WeakPolarHBondContact OH-CZ 3.05Å; K246-F261 HydrophobicContact CD-CE1 4.42Å; K246-F261 HydrophobicContact CD-CZ 4.48Å; I258-F261 HydrophobicContact CB-CB 4.28Å; I258-F261 HydrophobicContact CB-CD2 3.66Å; I258-F261 HydrophobicContact CB-CG 4.46Å; I258-F261 HydrophobicContact CD1-CD2 3.58Å; I258-F261 HydrophobicContact CD1-CE2 4.13Å; I258-F261 HydrophobicContact CD1-CG 4.38Å; I258-F261 HydrophobicContact CG1-CD2 4.21Å; I258-F261 HydrophobicContact CG2-CD2 3.36Å; I258-F261 HydrophobicContact CG2-CE2 3.91Å; I258-F261 HydrophobicContact CG2-CG 4.45Å; I258-F261 PolarHBondContact O-N 3.26Å; F261-V263 PolarHBondContact O-N 3.14Å | ||
| 262 | K | 37.4 | Very low | 46.3 | Very low | 203 Ų | 203 | 103.7 Ų | 103.7 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | trans | -70.1 | 31.5 | 161.3 | -138.2 | -178.9 | -169.6 | 178.9 | 0 | 113.3 | N264 | K262-N264 PolarHBondContact O-N 2.9Š| ||
| 263 | V | 38.5 | Very low | 43.2 | Very low | 74 Ų | 74 | 111.1 Ų | 111.1 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -86.1 | 97 | 172.3 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | F261 | F261-V263 PolarHBondContact O-N 3.14Š|
| 264 | N | 31 | Very low | 40.6 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 46% | 0.46 | 64% | 0.644 | S | S | . | * | S | Bend | trans | 75.4 | 26.8 | 147.3 | -57.4 | -10.9 | 0 | 0 | 0 | 120.9 | K262 C266 | K262-N264 PolarHBondContact O-N 2.9Å; N264-C266 PolarHBondContact O-N 2.76Å |
| 265 | S | 33.1 | Very low | 38.4 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 3.7 | 154.8 | -156 | 0 | 0 | 0 | 0 | 113.2 | ||
| 266 | C | 37 | Very low | 36.6 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.3 | 73.2 | 170.8 | -79.3 | 0 | 0 | 0 | 0 | 110.8 | N264 | N264-C266 PolarHBondContact O-N 2.76Š|
| 267 | Q | 27.5 | Very low | 35.2 | Very low | 158 Ų | 158 | 119.3 Ų | 119.3 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -162.9 | 55 | 152.4 | -112.5 | 176.1 | 27 | 0 | 0 | 113 | G269 | Q267-G269 PolarHBondContact O-N 3.39Š| ||
| 268 | I | 32.6 | Very low | 33.9 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 89% | 0.887 | 69% | 0.687 | S | S | * | * | trans | -82.3 | 85.7 | 138.7 | -62.3 | 175 | 0 | 0 | 0 | 104.6 | ||||
| 269 | G | 25.8 | Very low | 32.7 | Very low | 55 Ų | 55 | 126 Ų | 126 | 57% | 0.567 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 137.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q267 S271 | Q267-G269 PolarHBondContact O-N 3.39Å; G269-S271 PolarHBondContact O-N 3.5Å | ||
| 270 | N | 27.2 | Very low | 31.7 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 91% | 0.914 | 71% | 0.707 | S | S | * | * | trans | -28.6 | 101.8 | 170.4 | -77.6 | -7.1 | 0 | 0 | 0 | 113.1 | ||||
| 271 | S | 30.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -98.7 | 105.9 | 144.3 | -172.8 | 0 | 0 | 0 | 0 | 106.5 | G269 | G269-S271 PolarHBondContact O-N 3.5Š| ||
| 272 | S | 30.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | trans | -16.5 | 129.5 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 117.8 | V274 | S272-V274 PolarHBondContact O-N 3.3Š| ||
| 273 | N | 25.5 | Very low | 29 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | -35.1 | 112.8 | 150.3 | -66.2 | -40.4 | 0 | 0 | 0 | 112 | ||||
| 274 | V | 30.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -127 | 93.5 | 149.9 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | S272 V276 | S272-V274 PolarHBondContact O-N 3.3Å; V274-V276 HydrophobicContact CG1-CG2 4.08Å; V274-V276 PolarHBondContact O-N 2.79Å | ||
| 275 | H | 27.6 | Very low | 28.2 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | trans | -61.5 | 109.6 | 165.6 | 174.2 | -80.1 | 0 | 0 | 0 | 108.8 | S277 | H275-S277 PolarHBondContact CE1-OG 3.27Š| ||
| 276 | V | 28.4 | Very low | 28 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -122 | 107.2 | 157.8 | -179 | 0 | 0 | 0 | 0 | 108 | V274 | V274-V276 HydrophobicContact CG1-CG2 4.08Å; V274-V276 PolarHBondContact O-N 2.79Å | ||
| 277 | S | 26.3 | Very low | 27.4 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | trans | -56 | 139.4 | 172.1 | -71.7 | 0 | 0 | 0 | 0 | 113 | H275 | H275-S277 PolarHBondContact CE1-OG 3.27Š| ||
| 278 | I | 26 | Very low | 27.5 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -15.7 | 126 | 145.2 | -57.1 | 170.1 | 0 | 0 | 0 | 115 | ||||
| 279 | T | 25.9 | Very low | 27.2 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | -165.2 | 146.9 | 126.2 | 2.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 280 | P | 29 | Very low | 27.4 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -89.6 | 143 | -165 | 31.9 | -25.8 | 0 | 0 | 0 | 113.1 | V282 | P280-V282 PolarHBondContact O-N 3.42Š| ||
| 281 | I | 29.6 | Very low | 27.4 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -83.4 | 113.7 | 172.9 | -61 | 172.3 | 0 | 0 | 0 | 108.6 | ||||
| 282 | V | 22.5 | Very low | 27.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | -114.1 | 153.3 | 158.7 | 176.4 | 0 | 0 | 0 | 0 | 106.2 | P280 | P280-V282 PolarHBondContact O-N 3.42Š| ||
| 283 | V | 23.5 | Very low | 27.4 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | 87.3 | 121.3 | 177.4 | -161.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 284 | E | 28.6 | Very low | 27.5 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | -162.9 | 120.6 | 60.7 | -158.8 | 168.5 | -169.5 | 0 | 0 | 109.2 | |||||
| 285 | E | 24.3 | Very low | 27.6 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | 50.8 | 99 | 98 | -145 | 171.3 | -148.9 | 0 | 0 | 115.2 | |||||
| 286 | A | 29.7 | Very low | 27.7 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -114.8 | 95.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | T288 | A286-T288 PolarHBondContact O-N 2.84Š| ||
| 287 | T | 23.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | trans | -71.5 | 111.9 | 170.5 | -49.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 288 | T | 29.1 | Very low | 28.1 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -135.7 | 104.4 | 156 | -43.6 | 0 | 0 | 0 | 0 | 108.7 | A286 P290 | A286-T288 PolarHBondContact O-N 2.84Å; T288-P290 VanDerWaalsContact O-CD 3.31Å; T288-P290 WeakPolarHBondContact O-CD 3.12Å | ||
| 289 | T | 26.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -79.1 | 119.9 | 169.6 | -48.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 290 | P | 30.7 | Very low | 29.4 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -97.7 | 120.6 | 156.2 | 2 | 19.8 | 0 | 0 | 0 | 108.5 | T288 | T288-P290 VanDerWaalsContact O-CD 3.31Å; T288-P290 WeakPolarHBondContact O-CD 3.12Å | ||
| 291 | R | 26.8 | Very low | 30 | Very low | 234 Ų | 234 | 139.5 Ų | 139.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -25.8 | 126.7 | 168.2 | -134.4 | 170.1 | -170 | 149.2 | 0.3 | 114.3 | S293 | R291-S293 PolarHBondContact O-N 3.43Š| ||
| 292 | I | 28.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -56.9 | 118.2 | 160.1 | -62.9 | 162.3 | 0 | 0 | 0 | 107.7 | E294 | I292-E294 HydrophobicContact CG2-CG 3.87Š| ||
| 293 | S | 31.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -119.1 | 96.6 | 155.7 | 50.7 | 0 | 0 | 0 | 0 | 106.9 | R291 S295 | R291-S293 PolarHBondContact O-N 3.43Å; S293-S295 PolarHBondContact O-N 3.04Å | ||
| 294 | E | 27.9 | Very low | 34.3 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 117.3 | 162.2 | -72.7 | 171.3 | 154.9 | 0 | 0 | 108.3 | I292 | I292-E294 HydrophobicContact CG2-CG 3.87Š| ||
| 295 | S | 34.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -147.9 | 94.6 | 155.6 | 64.9 | 0 | 0 | 0 | 0 | 108.7 | S293 | S293-S295 PolarHBondContact O-N 3.04Š| ||
| 296 | D | 29 | Very low | 37.7 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 40.4 | 118.9 | 139.3 | -81.5 | -38.7 | 0 | 0 | 0 | 121.5 | ||||
| 297 | N | 29.7 | Very low | 39.6 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | 56.6 | 89.7 | 126.4 | -68 | -21.9 | 0 | 0 | 0 | 119.1 | |||||
| 298 | G | 33.2 | Very low | 42.1 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | trans | -139.7 | 50.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G300 | G298-G300 PolarHBondContact O-N 3.21Å; G298-G300 VanDerWaalsContact O-N 3.12Å | ||
| 299 | H | 34.2 | Very low | 44.3 | Very low | 201 Ų | 201 | 132.6 Ų | 132.6 | 93% | 0.931 | 72% | 0.722 | S | S | * | * | trans | -70.3 | 98.8 | 176.8 | -164.8 | 70.3 | 0 | 0 | 0 | 109.8 | ||||
| 300 | G | 45.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 177 | 5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | G298 | G298-G300 PolarHBondContact O-N 3.21Å; G298-G300 VanDerWaalsContact O-N 3.12Å |
| 301 | K | 41.4 | Very low | 48.8 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | trans | -129.7 | 10.4 | 179.8 | -73.1 | -175.8 | 179.7 | 175 | 0 | 116.7 | ||||
| 302 | S | 55 | Low | 51.3 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.3 | -22.4 | -169.4 | -171.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 303 | N | 54 | Low | 53.7 | Low | 126 Ų | 126 | 118.1 Ų | 118.1 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -90.2 | -26.5 | -173.3 | -75.3 | -1.9 | 0 | 0 | 0 | 114.1 | H307 | N303-H307 PolarHBondContact O-CD2 2.97Å; N303-H307 VanDerWaalsContact O-CD2 3.25Å; N303-H307 PolarHBondContact O-N 3.38Å |
| 304 | H | 56.6 | Low | 56 | Low | 140 Ų | 140 | 117.3 Ų | 117.3 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72 | -33.4 | -178.6 | -166.6 | -96.7 | 0 | 0 | 0 | 112.4 | H307 I308 | H304-H307 PolarHBondContact O-N 3.47Å; H304-I308 WeakPolarHBondContact CE1-CD1 3.4Å; H304-I308 WeakPolarHBondContact ND1-CD1 3.23Å; H304-I308 PolarHBondContact O-N 3.43Å |
| 305 | F | 57.6 | Low | 58.3 | Low | 157 Ų | 157 | 112.4 Ų | 112.4 | 69% | 0.689 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -39.2 | 178.6 | -143.9 | -93.3 | 0 | 0 | 0 | 111.6 | I308 V309 | F305-I308 PolarHBondContact O-N 2.87Å; F305-V309 HydrophobicContact CD1-CG2 3.64Å; F305-V309 HydrophobicContact CE1-CG2 3.66Å; F305-V309 HydrophobicContact CG-CG2 4.45Å; F305-V309 HydrophobicContact CZ-CG2 4.46Å; F305-V309 WeakPolarHBondContact O-CB 3.18Å; F305-V309 WeakPolarHBondContact O-CG2 3.46Å; F305-V309 PolarHBondContact O-N 3.4Å |
| 306 | L | 67.4 | Low | 60.4 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67 | -41.1 | 178.9 | -143.3 | 92.1 | 0 | 0 | 0 | 111.9 | I308 I310 | L306-I308 VanDerWaalsContact C-N 3.34Å; L306-I308 PolarHBondContact O-N 3.23Å; L306-I310 HydrophobicContact CD2-CD1 4.02Å; L306-I310 HydrophobicContact CG-CD1 3.86Å; L306-I310 WeakPolarHBondContact O-CB 3.4Å; L306-I310 WeakPolarHBondContact O-CD1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.04Å |
| 307 | H | 69.7 | Low | 62.9 | Low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.676 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.4 | -22.6 | -179.6 | -81.4 | -64.2 | 0 | 0 | 0 | 114.4 | N303 H304 P311 | N303-H307 PolarHBondContact O-CD2 2.97Å; N303-H307 VanDerWaalsContact O-CD2 3.25Å; N303-H307 PolarHBondContact O-N 3.38Å; H304-H307 PolarHBondContact O-N 3.47Å; H307-P311 WeakPolarHBondContact O-CD 3.14Å; H307-P311 WeakPolarHBondContact O-CG 3.26Å |
| 308 | I | 75.6 | Confident | 65.3 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 44% | 0.441 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -92.4 | -43.3 | 176.8 | -66.9 | -177 | 0 | 0 | 0 | 111.6 | H304 F305 L306 I310 P311 V312 | H304-I308 WeakPolarHBondContact CE1-CD1 3.4Å; H304-I308 WeakPolarHBondContact ND1-CD1 3.23Å; H304-I308 PolarHBondContact O-N 3.43Å; F305-I308 PolarHBondContact O-N 2.87Å; L306-I308 VanDerWaalsContact C-N 3.34Å; L306-I308 PolarHBondContact O-N 3.23Å; I308-I310 PolarHBondContact O-N 2.81Å; I308-P311 WeakPolarHBondContact O-CD 3.37Å; I308-V312 HydrophobicContact CG2-CG2 4.4Å; I308-V312 VanDerWaalsContact O-CG2 3.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 2.79Å |
| 309 | V | 75.3 | Confident | 67.3 | Low | 64 Ų | 64 | 109.9 Ų | 109.9 | 39% | 0.388 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.2 | -40.1 | -173.9 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | F305 V312 V313 | F305-V309 HydrophobicContact CD1-CG2 3.64Å; F305-V309 HydrophobicContact CE1-CG2 3.66Å; F305-V309 HydrophobicContact CG-CG2 4.45Å; F305-V309 HydrophobicContact CZ-CG2 4.46Å; F305-V309 WeakPolarHBondContact O-CB 3.18Å; F305-V309 WeakPolarHBondContact O-CG2 3.46Å; F305-V309 PolarHBondContact O-N 3.4Å; V309-V312 PolarHBondContact O-N 2.8Å; V309-V313 HydrophobicContact CG1-CG2 4.16Å; V309-V313 WeakPolarHBondContact O-CG2 3.36Å; V309-V313 PolarHBondContact O-N 3.3Å |
| 310 | I | 75.5 | Confident | 69.4 | Low | 86 Ų | 86 | 102.6 Ų | 102.6 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -50.7 | -178.1 | -67 | 170.6 | 0 | 0 | 0 | 111.6 | L306 I308 V312 V313 I314 | L306-I310 HydrophobicContact CD2-CD1 4.02Å; L306-I310 HydrophobicContact CG-CD1 3.86Å; L306-I310 WeakPolarHBondContact O-CB 3.4Å; L306-I310 WeakPolarHBondContact O-CD1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.04Å; I308-I310 PolarHBondContact O-N 2.81Å; I310-V312 VanDerWaalsContact C-N 3.34Å; I310-V312 PolarHBondContact O-N 3.43Å; I310-V313 PolarHBondContact O-N 3.36Å; I310-I314 HydrophobicContact CG2-CD1 3.64Å; I310-I314 HydrophobicContact CG2-CG1 4.39Å; I310-I314 VanDerWaalsContact O-CG1 3.28Å; I310-I314 WeakPolarHBondContact O-CG1 3.3Å; I310-I314 PolarHBondContact O-N 2.84Å |
| 311 | P | 76.7 | Confident | 71.1 | Confident | 64 Ų | 64 | 102 Ų | 102 | 42% | 0.416 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 175.3 | -26.9 | 35.9 | 0 | 0 | 0 | 113.8 | H307 I308 I314 C315 | H307-P311 WeakPolarHBondContact O-CD 3.14Å; H307-P311 WeakPolarHBondContact O-CG 3.26Å; I308-P311 WeakPolarHBondContact O-CD 3.37Å; P311-I314 PolarHBondContact O-N 2.83Å; P311-C315 VanDerWaalsContact O-CB 3.27Å; P311-C315 WeakPolarHBondContact O-CB 3.16Å; P311-C315 PolarHBondContact O-N 3.38Å; P311-C315 PolarHBondContact O-SG 2.92Å |
| 312 | V | 78.7 | Confident | 72.7 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | I308 V309 I310 C315 F316 | I308-V312 HydrophobicContact CG2-CG2 4.4Å; I308-V312 VanDerWaalsContact O-CG2 3.27Å; I308-V312 WeakPolarHBondContact O-CG2 3.48Å; I308-V312 PolarHBondContact O-N 2.79Å; V309-V312 PolarHBondContact O-N 2.8Å; I310-V312 VanDerWaalsContact C-N 3.34Å; I310-V312 PolarHBondContact O-N 3.43Å; V312-C315 PolarHBondContact O-N 3.16Å; V312-F316 WeakPolarHBondContact O-CB 3.2Å; V312-F316 PolarHBondContact O-N 3.36Å |
| 313 | V | 79.3 | Confident | 73.7 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 176.5 | 174 | 0 | 0 | 0 | 0 | 110.8 | V309 I310 F316 L317 | V309-V313 HydrophobicContact CG1-CG2 4.16Å; V309-V313 WeakPolarHBondContact O-CG2 3.36Å; V309-V313 PolarHBondContact O-N 3.3Å; I310-V313 PolarHBondContact O-N 3.36Å; V313-F316 PolarHBondContact O-N 2.9Å; V313-L317 HydrophobicContact CG1-CD1 4.05Å; V313-L317 HydrophobicContact CG1-CG 4.43Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.36Å; V313-L317 PolarHBondContact O-N 3.13Å |
| 314 | I | 79.4 | Confident | 74.8 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.8 | -67.6 | 169.7 | 0 | 0 | 0 | 110.6 | I310 P311 F316 L317 V318 | I310-I314 HydrophobicContact CG2-CD1 3.64Å; I310-I314 HydrophobicContact CG2-CG1 4.39Å; I310-I314 VanDerWaalsContact O-CG1 3.28Å; I310-I314 WeakPolarHBondContact O-CG1 3.3Å; I310-I314 PolarHBondContact O-N 2.84Å; P311-I314 PolarHBondContact O-N 2.83Å; I314-F316 VanDerWaalsContact C-N 3.32Å; I314-F316 PolarHBondContact O-N 2.98Å; I314-L317 PolarHBondContact O-N 3.37Å; I314-V318 HydrophobicContact CG2-CG2 4.28Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.31Å; I314-V318 PolarHBondContact O-N 2.83Å |
| 315 | C | 75.7 | Confident | 75.7 | Confident | 79 Ų | 79 | 87.8 Ų | 87.8 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.4 | -77.1 | 0 | 0 | 0 | 0 | 111.5 | P311 V312 V318 V319 | P311-C315 VanDerWaalsContact O-CB 3.27Å; P311-C315 WeakPolarHBondContact O-CB 3.16Å; P311-C315 PolarHBondContact O-N 3.38Å; P311-C315 PolarHBondContact O-SG 2.92Å; V312-C315 PolarHBondContact O-N 3.16Å; C315-V318 PolarHBondContact O-N 3.34Å; C315-V319 WeakPolarHBondContact O-CB 3.39Å; C315-V319 VanDerWaalsContact O-CG2 3.25Å; C315-V319 WeakPolarHBondContact O-CG2 3.37Å; C315-V319 PolarHBondContact O-N 2.78Å |
| 316 | F | 78.4 | Confident | 76.3 | Confident | 137 Ų | 137 | 84.3 Ų | 84.3 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 175.9 | -175.1 | -98.1 | 0 | 0 | 0 | 111.6 | V312 V313 I314 V318 V319 C320 | V312-F316 WeakPolarHBondContact O-CB 3.2Å; V312-F316 PolarHBondContact O-N 3.36Å; V313-F316 PolarHBondContact O-N 2.9Å; I314-F316 VanDerWaalsContact C-N 3.32Å; I314-F316 PolarHBondContact O-N 2.98Å; F316-V318 PolarHBondContact O-N 3Å; F316-V319 PolarHBondContact O-N 2.84Å; F316-C320 VanDerWaalsContact CE1-SG 3.52Å; F316-C320 VanDerWaalsContact CZ-SG 3.58Å; F316-C320 VanDerWaalsContact O-CB 3.25Å; F316-C320 WeakPolarHBondContact O-CB 3.27Å; F316-C320 PolarHBondContact O-N 3.41Å; F316-C320 PolarHBondContact O-SG 2.9Å |
| 317 | L | 81.7 | Confident | 76.3 | Confident | 104 Ų | 104 | 83.1 Ų | 83.1 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 176.7 | -69 | 172.6 | 0 | 0 | 0 | 112.6 | V313 I314 S321 | V313-L317 HydrophobicContact CG1-CD1 4.05Å; V313-L317 HydrophobicContact CG1-CG 4.43Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.36Å; V313-L317 PolarHBondContact O-N 3.13Å; I314-L317 PolarHBondContact O-N 3.37Å; L317-S321 VanDerWaalsContact O-CB 3.27Å; L317-S321 WeakPolarHBondContact O-CB 3.27Å; L317-S321 PolarHBondContact O-N 3.21Å; L317-S321 PolarHBondContact O-OG 2.86Å |
| 318 | V | 79.3 | Confident | 76.1 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 56% | 0.558 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | I314 C315 F316 S321 G322 | I314-V318 HydrophobicContact CG2-CG2 4.28Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.31Å; I314-V318 PolarHBondContact O-N 2.83Å; C315-V318 PolarHBondContact O-N 3.34Å; F316-V318 PolarHBondContact O-N 3Å; V318-S321 WeakPolarHBondContact CA-OG 3.42Å; V318-S321 PolarHBondContact O-OG 3.49Å; V318-G322 PolarHBondContact O-N 3.32Å |
| 319 | V | 76.5 | Confident | 75.5 | Confident | 94 Ų | 94 | 79.4 Ų | 79.4 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.4 | -44.9 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | C315 F316 G322 C323 | C315-V319 WeakPolarHBondContact O-CB 3.39Å; C315-V319 VanDerWaalsContact O-CG2 3.25Å; C315-V319 WeakPolarHBondContact O-CG2 3.37Å; C315-V319 PolarHBondContact O-N 2.78Å; F316-V319 PolarHBondContact O-N 2.84Å; V319-G322 PolarHBondContact O-N 2.85Å; V319-C323 WeakPolarHBondContact O-CB 3.34Å; V319-C323 PolarHBondContact O-N 2.79Å; V319-C323 PolarHBondContact O-SG 3.29Å; V319-C323 VanDerWaalsContact O-SG 3.32Å |
| 320 | C | 77.7 | Confident | 75 | Confident | 47 Ų | 47 | 83.2 Ų | 83.2 | 32% | 0.318 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.5 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | F316 C323 V324 | F316-C320 VanDerWaalsContact CE1-SG 3.52Å; F316-C320 VanDerWaalsContact CZ-SG 3.58Å; F316-C320 VanDerWaalsContact O-CB 3.25Å; F316-C320 WeakPolarHBondContact O-CB 3.27Å; F316-C320 PolarHBondContact O-N 3.41Å; F316-C320 PolarHBondContact O-SG 2.9Å; C320-C323 PolarHBondContact O-N 3.21Å; C320-V324 WeakPolarHBondContact O-CB 3.28Å; C320-V324 WeakPolarHBondContact O-CG2 3.25Å; C320-V324 PolarHBondContact O-N 3.24Å |
| 321 | S | 82 | Confident | 74 | Confident | 56 Ų | 56 | 84 Ų | 84 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | L317 V318 V324 I325 | L317-S321 VanDerWaalsContact O-CB 3.27Å; L317-S321 WeakPolarHBondContact O-CB 3.27Å; L317-S321 PolarHBondContact O-N 3.21Å; L317-S321 PolarHBondContact O-OG 2.86Å; V318-S321 WeakPolarHBondContact CA-OG 3.42Å; V318-S321 PolarHBondContact O-OG 3.49Å; S321-V324 PolarHBondContact O-N 2.8Å; S321-I325 WeakPolarHBondContact O-CB 3.25Å; S321-I325 WeakPolarHBondContact O-CD1 3.32Å; S321-I325 WeakPolarHBondContact O-CG1 3.27Å; S321-I325 PolarHBondContact O-N 3.4Å |
| 322 | G | 75.9 | Confident | 73.1 | Confident | 31 Ų | 31 | 84.7 Ų | 84.7 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V318 V319 I325 C326 | V318-G322 PolarHBondContact O-N 3.32Å; V319-G322 PolarHBondContact O-N 2.85Å; G322-I325 PolarHBondContact O-N 3.4Å; G322-C326 VanDerWaalsContact O-CB 3.3Å; G322-C326 WeakPolarHBondContact O-CB 3.47Å; G322-C326 PolarHBondContact O-N 3.34Å; G322-C326 PolarHBondContact O-SG 3.32Å; G322-C326 VanDerWaalsContact O-SG 3.41Å |
| 323 | C | 75 | Confident | 72 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.8 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | V319 C320 C326 L327 | V319-C323 WeakPolarHBondContact O-CB 3.34Å; V319-C323 PolarHBondContact O-N 2.79Å; V319-C323 PolarHBondContact O-SG 3.29Å; V319-C323 VanDerWaalsContact O-SG 3.32Å; C320-C323 PolarHBondContact O-N 3.21Å; C323-C326 PolarHBondContact O-N 2.95Å; C323-L327 VanDerWaalsContact O-CB 3.23Å; C323-L327 WeakPolarHBondContact O-CB 3.33Å; C323-L327 WeakPolarHBondContact O-CD1 3.01Å; C323-L327 WeakPolarHBondContact O-CG 3.29Å; C323-L327 PolarHBondContact O-N 3.42Å |
| 324 | V | 76.6 | Confident | 70.8 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 42% | 0.418 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | C320 S321 W328 | C320-V324 WeakPolarHBondContact O-CB 3.28Å; C320-V324 WeakPolarHBondContact O-CG2 3.25Å; C320-V324 PolarHBondContact O-N 3.24Å; S321-V324 PolarHBondContact O-N 2.8Å; V324-W328 WeakPolarHBondContact O-CB 3.4Å; V324-W328 PolarHBondContact O-N 3.31Å |
| 325 | I | 76.6 | Confident | 69.4 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.7 | -41.2 | 177.6 | -67.1 | 162.2 | 0 | 0 | 0 | 111.4 | S321 G322 W328 L329 | S321-I325 WeakPolarHBondContact O-CB 3.25Å; S321-I325 WeakPolarHBondContact O-CD1 3.32Å; S321-I325 WeakPolarHBondContact O-CG1 3.27Å; S321-I325 PolarHBondContact O-N 3.4Å; G322-I325 PolarHBondContact O-N 3.4Å; I325-W328 CarbonylContact O-C 3.59Å; I325-W328 WeakPolarHBondContact O-CB 3.14Å; I325-W328 PolarHBondContact O-N 2.88Å; I325-L329 HydrophobicContact CG2-CD1 4.4Å; I325-L329 PolarHBondContact O-N 3.31Å |
| 326 | C | 69.9 | Low | 68.2 | Low | 84 Ų | 84 | 88 Ų | 88 | 57% | 0.568 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66 | -45.9 | 175.8 | -79.6 | 0 | 0 | 0 | 0 | 111.6 | G322 C323 W328 L329 Y330 | G322-C326 VanDerWaalsContact O-CB 3.3Å; G322-C326 WeakPolarHBondContact O-CB 3.47Å; G322-C326 PolarHBondContact O-N 3.34Å; G322-C326 PolarHBondContact O-SG 3.32Å; G322-C326 VanDerWaalsContact O-SG 3.41Å; C323-C326 PolarHBondContact O-N 2.95Å; C326-W328 VanDerWaalsContact C-N 3.25Å; C326-W328 PolarHBondContact O-N 2.8Å; C326-L329 PolarHBondContact O-N 2.98Å; C326-Y330 WeakPolarHBondContact O-CB 3.5Å; C326-Y330 PolarHBondContact O-N 3.29Å |
| 327 | L | 67.6 | Low | 66.6 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 47% | 0.471 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 172.1 | -73 | 167.7 | 0 | 0 | 0 | 110.6 | C323 R331 | C323-L327 VanDerWaalsContact O-CB 3.23Å; C323-L327 WeakPolarHBondContact O-CB 3.33Å; C323-L327 WeakPolarHBondContact O-CD1 3.01Å; C323-L327 WeakPolarHBondContact O-CG 3.29Å; C323-L327 PolarHBondContact O-N 3.42Å; L327-R331 WeakPolarHBondContact O-CB 3.2Å; L327-R331 WeakPolarHBondContact O-CD 3.27Å; L327-R331 WeakPolarHBondContact O-CG 3.37Å; L327-R331 PolarHBondContact O-N 3.35Å |
| 328 | W | 65 | Low | 65 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65 | -50 | 175.9 | 179.2 | 92.5 | 0 | 0 | 0 | 112.8 | L19 F23 V324 I325 C326 Y330 R331 K332 | L19-W328 HydrophobicContact CD1-CZ2 3.72Å; L19-W328 HydrophobicContact CD2-CZ2 3.57Å; L19-W328 HydrophobicContact CG-CZ2 4.22Å; F23-W328 AromaticContact CD2-CD1 3.57Å; F23-W328 AromaticContact CD2-NE1 3.97Å; F23-W328 AromaticContact CE2-CD1 3.12Å; F23-W328 AromaticContact CE2-CG 3.88Å; F23-W328 HydrophobicContact CE2-CG 3.88Å; F23-W328 AromaticContact CE2-NE1 3.36Å; V324-W328 WeakPolarHBondContact O-CB 3.4Å; V324-W328 PolarHBondContact O-N 3.31Å; I325-W328 CarbonylContact O-C 3.59Å; I325-W328 WeakPolarHBondContact O-CB 3.14Å; I325-W328 PolarHBondContact O-N 2.88Å; C326-W328 VanDerWaalsContact C-N 3.25Å; C326-W328 PolarHBondContact O-N 2.8Å; W328-Y330 PolarHBondContact O-N 3.45Å; W328-R331 PolarHBondContact O-N 3.37Å; W328-K332 HydrophobicContact CH2-CD 3.87Å; W328-K332 HydrophobicContact CZ2-CD 3.88Å; W328-K332 HydrophobicContact CZ3-CD 4.42Å; W328-K332 VanDerWaalsContact O-CB 3.26Å; W328-K332 WeakPolarHBondContact O-CB 3.11Å; W328-K332 PolarHBondContact O-N 3.48Å |
| 329 | L | 63.1 | Low | 62.8 | Low | 97 Ų | 97 | 85.8 Ų | 85.8 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.9 | -77.1 | 176.4 | 0 | 0 | 0 | 111.2 | I325 C326 R331 K333 | I325-L329 HydrophobicContact CG2-CD1 4.4Å; I325-L329 PolarHBondContact O-N 3.31Å; C326-L329 PolarHBondContact O-N 2.98Å; L329-R331 VanDerWaalsContact C-N 3.35Å; L329-K333 PolarHBondContact O-N 3.4Å |
| 330 | Y | 63.6 | Low | 60.9 | Low | 144 Ų | 144 | 89.5 Ų | 89.5 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 176.7 | -177.7 | -99.9 | 0 | 0 | 0 | 111.6 | C326 W328 K334 | C326-Y330 WeakPolarHBondContact O-CB 3.5Å; C326-Y330 PolarHBondContact O-N 3.29Å; W328-Y330 PolarHBondContact O-N 3.45Å; Y330-K334 HydrophobicContact CE1-CD 4.48Å; Y330-K334 WeakPolarHBondContact OH-CE 3.45Å; Y330-K334 PolarHBondContact OH-NZ 3.25Å |
| 331 | R | 55.7 | Low | 60.1 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 38% | 0.381 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.4 | -28.8 | -179 | -68.2 | 174.9 | 173 | -166.1 | -4.8 | 113.3 | F23 E193 L327 W328 L329 K334 C335 | F23-R331 HydrophobicContact CD1-CB 3.87Å; F23-R331 VanDerWaalsContact CE1-C 3.48Å; F23-R331 HydrophobicContact CE1-CB 3.19Å; F23-R331 HydrophobicContact CE1-CG 4.42Å; F23-R331 HydrophobicContact CZ-CB 3.78Å; E193-R331 IonicContact OE1-CZ 2.75Å; E193-R331 IonicContact OE1-NE 3.84Å; L327-R331 WeakPolarHBondContact O-CB 3.2Å; L327-R331 WeakPolarHBondContact O-CD 3.27Å; L327-R331 WeakPolarHBondContact O-CG 3.37Å; L327-R331 PolarHBondContact O-N 3.35Å; W328-R331 PolarHBondContact O-N 3.37Å; L329-R331 VanDerWaalsContact C-N 3.35Å; R331-K334 PolarHBondContact O-N 3.45Å; R331-C335 PolarHBondContact O-N 3.03Å; R331-C335 PolarHBondContact O-SG 3.37Å |
| 332 | K | 57.7 | Low | 59 | Low | 79 Ų | 79 | 93.5 Ų | 93.5 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.5 | -171.5 | -177.4 | 179 | -173.9 | 0 | 110.8 | F23 W328 K334 C335 M336 | F23-K332 HydrophobicContact CZ-CB 3.96Å; W328-K332 HydrophobicContact CH2-CD 3.87Å; W328-K332 HydrophobicContact CZ2-CD 3.88Å; W328-K332 HydrophobicContact CZ3-CD 4.42Å; W328-K332 VanDerWaalsContact O-CB 3.26Å; W328-K332 WeakPolarHBondContact O-CB 3.11Å; W328-K332 PolarHBondContact O-N 3.48Å; K332-K334 PolarHBondContact O-N 3.49Å; K332-C335 PolarHBondContact O-N 3.28Å; K332-M336 PolarHBondContact O-N 3.26Å |
| 333 | K | 55.4 | Low | 58 | Low | 178 Ų | 178 | 96.9 Ų | 96.9 | 77% | 0.774 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.6 | -28.3 | 172.7 | -84.8 | -172.4 | 172.7 | -175.9 | 0 | 113.1 | L329 | L329-K333 PolarHBondContact O-N 3.4Å |
| 334 | K | 53.4 | Low | 57 | Low | 94 Ų | 94 | 98.7 Ų | 98.7 | 41% | 0.409 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -87.9 | -37.2 | 179.5 | -68.4 | -170 | 179.9 | -175.9 | 0 | 113.9 | Y330 R331 K332 | Y330-K334 HydrophobicContact CE1-CD 4.48Å; Y330-K334 WeakPolarHBondContact OH-CE 3.45Å; Y330-K334 PolarHBondContact OH-NZ 3.25Å; R331-K334 PolarHBondContact O-N 3.45Å; K332-K334 PolarHBondContact O-N 3.49Å |
| 335 | C | 51.9 | Low | 55.8 | Low | 32 Ų | 32 | 100.6 Ų | 100.6 | 22% | 0.216 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -82.1 | -26 | -178.4 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | R331 K332 | R331-C335 PolarHBondContact O-N 3.03Å; R331-C335 PolarHBondContact O-SG 3.37Å; K332-C335 PolarHBondContact O-N 3.28Å |
| 336 | M | 49 | Very low | 54.4 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 52% | 0.522 | 53% | 0.526 | S | S | . | . | trans | -140.4 | 84.7 | -177.2 | -68.2 | 178.9 | 171.1 | 0 | 0 | 111.8 | K332 S338 | K332-M336 PolarHBondContact O-N 3.26Å; M336-S338 PolarHBondContact O-N 3.48Å | ||
| 337 | P | 46.3 | Very low | 53.3 | Low | 68 Ų | 68 | 102.5 Ų | 102.5 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -74.1 | -5.4 | 172.7 | 25.8 | -30.8 | 0 | 0 | 0 | 114.5 | L339 | P337-L339 PolarHBondContact O-N 3.12Å; P337-L339 VanDerWaalsContact O-N 3.1Å |
| 338 | S | 46.6 | Very low | 52.2 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -76.4 | 12.2 | -178 | 63.6 | 0 | 0 | 0 | 0 | 115.3 | M336 | M336-S338 PolarHBondContact O-N 3.48Š|
| 339 | L | 33.8 | Very low | 51.1 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 71% | 0.712 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -124.7 | 20.3 | 179.3 | -94.4 | 156.7 | 0 | 0 | 0 | 112.6 | P337 | P337-L339 PolarHBondContact O-N 3.12Å; P337-L339 VanDerWaalsContact O-N 3.1Å |
| 340 | S | 37.3 | Very low | 50.1 | Low | 171 Ų | 171 | 108.3 Ų | 108.3 | 100% | 1.196 | 56% | 0.558 | S | S | * | * | trans | -104.3 | 0 | 168.6 | -174.7 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 340 of 340 residues in 310.2 ms
(Link to these results)