| 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 | 56.3 | Low | 59.5 | Low | 201 Ų | 201 | 120.5 Ų | 120.5 | 99% | 0.99 | 64% | 0.637 | S | S | * | * | 0 | -57.6 | 0 | -64 | -62 | -92.9 | 0 | 0 | 111.6 | T3 L4 L5 | M1-T3 PolarHBondContact O-N 2.77Å; M1-L4 PolarHBondContact O-N 2.73Å; M1-L5 PolarHBondContact O-N 2.71Å | |||
| 2 | A | 56.3 | Low | 59.8 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.6 | -36.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | L5 L6 | A2-L5 PolarHBondContact O-N 3.19Å; A2-L6 PolarHBondContact O-N 2.93Å; A2-L6 VanDerWaalsContact O-N 3.07Å |
| 3 | T | 56.9 | Low | 60.5 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.3 | -37.2 | 178.4 | 34 | 0 | 0 | 0 | 0 | 113.4 | M1 L5 V7 | M1-T3 PolarHBondContact O-N 2.77Å; T3-L5 VanDerWaalsContact C-N 3.33Å; T3-V7 WeakPolarHBondContact O-CG2 3.42Å; T3-V7 PolarHBondContact O-N 3Å; T3-V7 VanDerWaalsContact O-N 3.16Å |
| 4 | L | 63.1 | Low | 61.8 | Low | 132 Ų | 132 | 115 Ų | 115 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.5 | -39.5 | 175.8 | -153.2 | 87.6 | 0 | 0 | 0 | 110.9 | M1 V7 T8 | M1-L4 PolarHBondContact O-N 2.73Å; L4-V7 PolarHBondContact O-N 2.69Å; L4-T8 WeakPolarHBondContact O-CG2 3.31Å; L4-T8 PolarHBondContact O-N 3.3Å; L4-T8 PolarHBondContact O-OG1 3.2Å |
| 5 | L | 58.7 | Low | 62.9 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.4 | -37.4 | -179.2 | -143.8 | 153.4 | 0 | 0 | 0 | 112 | M1 A2 T3 T8 L9 | M1-L5 PolarHBondContact O-N 2.71Å; A2-L5 PolarHBondContact O-N 3.19Å; T3-L5 VanDerWaalsContact C-N 3.33Å; L5-T8 WeakPolarHBondContact CA-OG1 3.24Å; L5-T8 PolarHBondContact O-OG1 2.95Å; L5-L9 HydrophobicContact CD2-CD1 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.24Å; L5-L9 WeakPolarHBondContact O-CB 3.42Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.35Å |
| 6 | L | 58 | Low | 64 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.4 | -40.6 | 173.5 | -98.3 | 149.9 | 0 | 0 | 0 | 112.8 | A2 L9 Y10 | A2-L6 PolarHBondContact O-N 2.93Å; A2-L6 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.07Å; L6-Y10 WeakPolarHBondContact O-CB 2.89Å; L6-Y10 PolarHBondContact O-N 3Å |
| 7 | V | 61.8 | Low | 65 | Low | 84 Ų | 84 | 118.1 Ų | 118.1 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.9 | -42.9 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | T3 L4 L9 Y10 E11 | T3-V7 WeakPolarHBondContact O-CG2 3.42Å; T3-V7 PolarHBondContact O-N 3Å; T3-V7 VanDerWaalsContact O-N 3.16Å; L4-V7 PolarHBondContact O-N 2.69Å; V7-L9 PolarHBondContact O-N 3.08Å; V7-Y10 PolarHBondContact O-N 3.42Å; V7-E11 PolarHBondContact O-N 2.9Å |
| 8 | T | 60.8 | Low | 66.2 | Low | 65 Ų | 65 | 117.7 Ų | 117.7 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.8 | -35.8 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | L4 L5 Y12 | L4-T8 WeakPolarHBondContact O-CG2 3.31Å; L4-T8 PolarHBondContact O-N 3.3Å; L4-T8 PolarHBondContact O-OG1 3.2Å; L5-T8 WeakPolarHBondContact CA-OG1 3.24Å; L5-T8 PolarHBondContact O-OG1 2.95Å; T8-Y12 WeakPolarHBondContact O-CB 3.4Å; T8-Y12 WeakPolarHBondContact O-CD2 3.29Å; T8-Y12 PolarHBondContact O-N 3.38Å; T8-Y12 VanDerWaalsContact O-N 3.09Å |
| 9 | L | 59.1 | Low | 67.2 | Low | 110 Ų | 110 | 114.6 Ų | 114.6 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | 174 | -82 | 164.6 | 0 | 0 | 0 | 111.8 | L5 L6 V7 S13 | L5-L9 HydrophobicContact CD2-CD1 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.24Å; L5-L9 WeakPolarHBondContact O-CB 3.42Å; L5-L9 WeakPolarHBondContact O-CG 3.37Å; L5-L9 PolarHBondContact O-N 3.35Å; L6-L9 PolarHBondContact O-N 3.07Å; V7-L9 PolarHBondContact O-N 3.08Å; L9-S13 WeakPolarHBondContact O-CB 3.3Å; L9-S13 PolarHBondContact O-N 3.44Å |
| 10 | Y | 60.3 | Low | 68.2 | Low | 191 Ų | 191 | 112.3 Ų | 112.3 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.7 | -32.2 | 178.2 | -162.6 | -93.4 | 0 | 0 | 0 | 112.7 | L6 V7 P14 | L6-Y10 WeakPolarHBondContact O-CB 2.89Å; L6-Y10 PolarHBondContact O-N 3Å; V7-Y10 PolarHBondContact O-N 3.42Å; Y10-P14 WeakPolarHBondContact O-CD 3.34Å |
| 11 | E | 63.6 | Low | 69.1 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.9 | -34.6 | 173.7 | -75.9 | -170.9 | 160.6 | 0 | 0 | 113.1 | V7 P14 | V7-E11 PolarHBondContact O-N 2.9Å; E11-P14 WeakPolarHBondContact O-CD 3.37Å |
| 12 | Y | 63.3 | Low | 70.7 | Confident | 175 Ų | 175 | 105.1 Ų | 105.1 | 69% | 0.686 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.6 | -32.2 | 176.9 | -96.8 | -91.2 | 0 | 0 | 0 | 113.5 | T8 L15 F16 | T8-Y12 WeakPolarHBondContact O-CB 3.4Å; T8-Y12 WeakPolarHBondContact O-CD2 3.29Å; T8-Y12 PolarHBondContact O-N 3.38Å; T8-Y12 VanDerWaalsContact O-N 3.09Å; Y12-L15 PolarHBondContact O-N 3.33Å; Y12-F16 VanDerWaalsContact O-CB 3.26Å; Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.39Å |
| 13 | S | 68.3 | Low | 72.4 | Confident | 48 Ų | 48 | 106.8 Ų | 106.8 | 34% | 0.336 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -53.2 | -54.7 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 113.8 | L9 L15 F16 Y17 | L9-S13 WeakPolarHBondContact O-CB 3.3Å; L9-S13 PolarHBondContact O-N 3.44Å; S13-L15 PolarHBondContact O-N 3.25Å; S13-F16 PolarHBondContact O-N 3.47Å; S13-Y17 WeakPolarHBondContact O-CD2 3.48Å; S13-Y17 PolarHBondContact O-N 3.01Å; S13-Y17 VanDerWaalsContact OG-CE2 3.31Å; S13-Y17 WeakPolarHBondContact OG-CE2 3.45Å |
| 14 | P | 78.2 | Confident | 74 | Confident | 61 Ų | 61 | 105.1 Ų | 105.1 | 40% | 0.396 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | -178.2 | 23.6 | -31.8 | 0 | 0 | 0 | 112.5 | Y10 E11 F16 Y17 I18 | Y10-P14 WeakPolarHBondContact O-CD 3.34Å; E11-P14 WeakPolarHBondContact O-CD 3.37Å; P14-F16 VanDerWaalsContact C-N 3.33Å; P14-F16 PolarHBondContact O-N 3.1Å; P14-Y17 PolarHBondContact O-N 3.48Å; P14-I18 WeakPolarHBondContact O-CB 3.45Å; P14-I18 WeakPolarHBondContact O-CD1 3.46Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 3.24Å |
| 15 | L | 78.7 | Confident | 75.5 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 176.6 | -68.8 | 175.9 | 0 | 0 | 0 | 111.8 | Y12 S13 I18 A19 | Y12-L15 PolarHBondContact O-N 3.33Å; S13-L15 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 3.43Å; L15-A19 WeakPolarHBondContact O-CB 3.26Å; L15-A19 PolarHBondContact O-N 3.46Å |
| 16 | F | 80.9 | Confident | 77.1 | Confident | 132 Ų | 132 | 105.4 Ų | 105.4 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 174.5 | 178.4 | -98.8 | 0 | 0 | 0 | 111.6 | Y12 S13 P14 A19 V20 | Y12-F16 VanDerWaalsContact O-CB 3.26Å; Y12-F16 WeakPolarHBondContact O-CB 3.46Å; Y12-F16 PolarHBondContact O-N 3.39Å; S13-F16 PolarHBondContact O-N 3.47Å; P14-F16 VanDerWaalsContact C-N 3.33Å; P14-F16 PolarHBondContact O-N 3.1Å; F16-A19 PolarHBondContact O-N 3.12Å; F16-V20 HydrophobicContact CD1-CG2 4.35Å; F16-V20 HydrophobicContact CE1-CG2 3.99Å; F16-V20 HydrophobicContact CE2-CG2 4.33Å; F16-V20 HydrophobicContact CZ-CG2 3.98Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.2Å; F16-V20 PolarHBondContact O-N 2.92Å |
| 17 | Y | 80.8 | Confident | 78.7 | Confident | 147 Ų | 147 | 103.3 Ų | 103.3 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 177.3 | -73.8 | -64.1 | 0 | 0 | 0 | 112.7 | S13 P14 A19 V20 V21 | S13-Y17 WeakPolarHBondContact O-CD2 3.48Å; S13-Y17 PolarHBondContact O-N 3.01Å; S13-Y17 VanDerWaalsContact OG-CE2 3.31Å; S13-Y17 WeakPolarHBondContact OG-CE2 3.45Å; P14-Y17 PolarHBondContact O-N 3.48Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.28Å; Y17-V20 PolarHBondContact O-N 2.94Å; Y17-V21 WeakPolarHBondContact O-CB 3.13Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.21Å; Y17-V21 PolarHBondContact O-N 3.46Å |
| 18 | I | 86.1 | Confident | 79.9 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 175.1 | -69.1 | 162.9 | 0 | 0 | 0 | 110.5 | P14 L15 V21 S22 | P14-I18 WeakPolarHBondContact O-CB 3.45Å; P14-I18 WeakPolarHBondContact O-CD1 3.46Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 3.24Å; L15-I18 PolarHBondContact O-N 3.43Å; I18-V21 PolarHBondContact O-N 3.5Å; I18-S22 VanDerWaalsContact O-CB 3.28Å; I18-S22 WeakPolarHBondContact O-CB 3.32Å; I18-S22 PolarHBondContact O-N 3.03Å |
| 19 | A | 86.3 | Confident | 81.1 | Confident | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L15 F16 Y17 S22 L23 | L15-A19 WeakPolarHBondContact O-CB 3.26Å; L15-A19 PolarHBondContact O-N 3.46Å; F16-A19 PolarHBondContact O-N 3.12Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.28Å; A19-S22 PolarHBondContact O-N 2.94Å; A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 PolarHBondContact O-N 3.43Å |
| 20 | V | 85.9 | Confident | 82.3 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 42% | 0.418 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | F16 Y17 L23 C24 | F16-V20 HydrophobicContact CD1-CG2 4.35Å; F16-V20 HydrophobicContact CE1-CG2 3.99Å; F16-V20 HydrophobicContact CE2-CG2 4.33Å; F16-V20 HydrophobicContact CZ-CG2 3.98Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.2Å; F16-V20 PolarHBondContact O-N 2.92Å; Y17-V20 PolarHBondContact O-N 2.94Å; V20-L23 PolarHBondContact O-N 3.14Å; V20-C24 WeakPolarHBondContact O-CB 3.44Å; V20-C24 PolarHBondContact O-N 3.46Å |
| 21 | V | 88.4 | Confident | 83.4 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y17 I18 C24 F25 | Y17-V21 WeakPolarHBondContact O-CB 3.13Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.21Å; Y17-V21 PolarHBondContact O-N 3.46Å; I18-V21 PolarHBondContact O-N 3.5Å; V21-C24 PolarHBondContact O-N 2.85Å; V21-F25 WeakPolarHBondContact O-CB 3.29Å; V21-F25 PolarHBondContact O-N 3.04Å |
| 22 | S | 89.4 | Confident | 84.1 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | I18 A19 C24 F25 L26 | I18-S22 VanDerWaalsContact O-CB 3.28Å; I18-S22 WeakPolarHBondContact O-CB 3.32Å; I18-S22 PolarHBondContact O-N 3.03Å; A19-S22 PolarHBondContact O-N 2.94Å; S22-C24 PolarHBondContact O-N 3.17Å; S22-F25 PolarHBondContact O-N 2.85Å; S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.03Å |
| 23 | L | 92.6 | Very high | 84.7 | Confident | 110 Ų | 110 | 89 Ų | 89 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 175.5 | -177 | 67.8 | 0 | 0 | 0 | 111.5 | A19 V20 F25 L26 V27 | A19-L23 VanDerWaalsContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 PolarHBondContact O-N 3.43Å; V20-L23 PolarHBondContact O-N 3.14Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.32Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-V27 VanDerWaalsContact O-CG2 3.3Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.25Å |
| 24 | C | 90.8 | Very high | 84.9 | Confident | 76 Ų | 76 | 87.9 Ų | 87.9 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177.5 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | V20 V21 S22 V27 T28 | V20-C24 WeakPolarHBondContact O-CB 3.44Å; V20-C24 PolarHBondContact O-N 3.46Å; V21-C24 PolarHBondContact O-N 2.85Å; S22-C24 PolarHBondContact O-N 3.17Å; C24-V27 PolarHBondContact O-N 3.41Å; C24-T28 WeakPolarHBondContact O-CB 3.16Å; C24-T28 WeakPolarHBondContact O-CG2 3.27Å; C24-T28 PolarHBondContact O-N 3.36Å; C24-T28 PolarHBondContact O-OG1 2.94Å |
| 25 | F | 93.4 | Very high | 84.3 | Confident | 141 Ų | 141 | 95.4 Ų | 95.4 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 173.6 | -179.1 | -95.7 | 0 | 0 | 0 | 112 | V21 S22 L23 T28 A29 | V21-F25 WeakPolarHBondContact O-CB 3.29Å; V21-F25 PolarHBondContact O-N 3.04Å; S22-F25 PolarHBondContact O-N 2.85Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 3.32Å; F25-T28 WeakPolarHBondContact CA-OG1 3.38Å; F25-T28 PolarHBondContact O-N 3.46Å; F25-T28 PolarHBondContact O-OG1 3.36Å; F25-T28 VanDerWaalsContact O-OG1 3.07Å; F25-A29 WeakPolarHBondContact O-CB 3.49Å; F25-A29 PolarHBondContact O-N 3.3Å |
| 26 | L | 92.9 | Very high | 83.3 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.5 | -70.9 | 172.3 | 0 | 0 | 0 | 111.9 | S22 L23 A30 | S22-L26 WeakPolarHBondContact O-CG 3.33Å; S22-L26 PolarHBondContact O-N 3.03Å; L23-L26 PolarHBondContact O-N 3.38Å; L26-A30 VanDerWaalsContact O-CB 3.22Å; L26-A30 WeakPolarHBondContact O-CB 3.18Å; L26-A30 PolarHBondContact O-N 2.98Å |
| 27 | V | 91.1 | Very high | 81.9 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L23 C24 A30 I31 | L23-V27 VanDerWaalsContact O-CG2 3.3Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 3.25Å; C24-V27 PolarHBondContact O-N 3.41Å; V27-A30 PolarHBondContact O-N 3.35Å; V27-I31 HydrophobicContact CG1-CD1 3.8Å; V27-I31 HydrophobicContact CG1-CG1 4.46Å; V27-I31 WeakPolarHBondContact O-CB 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.97Å |
| 28 | T | 86.9 | Confident | 80.4 | Confident | 67 Ų | 67 | 94.7 Ų | 94.7 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.6 | 48 | 0 | 0 | 0 | 0 | 111.7 | C24 F25 A30 I31 V32 | C24-T28 WeakPolarHBondContact O-CB 3.16Å; C24-T28 WeakPolarHBondContact O-CG2 3.27Å; C24-T28 PolarHBondContact O-N 3.36Å; C24-T28 PolarHBondContact O-OG1 2.94Å; F25-T28 WeakPolarHBondContact CA-OG1 3.38Å; F25-T28 PolarHBondContact O-N 3.46Å; F25-T28 PolarHBondContact O-OG1 3.36Å; F25-T28 VanDerWaalsContact O-OG1 3.07Å; T28-A30 PolarHBondContact O-N 3.43Å; T28-I31 PolarHBondContact O-N 3.18Å; T28-V32 WeakPolarHBondContact O-CB 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.05Å |
| 29 | A | 86.3 | Confident | 78.5 | Confident | 29 Ų | 29 | 96.8 Ų | 96.8 | 24% | 0.24 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F25 V32 L33 | F25-A29 WeakPolarHBondContact O-CB 3.49Å; F25-A29 PolarHBondContact O-N 3.3Å; A29-V32 PolarHBondContact O-N 3.18Å; A29-L33 WeakPolarHBondContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.3Å; A29-L33 PolarHBondContact O-N 3.33Å |
| 30 | A | 83.6 | Confident | 76.5 | Confident | 63 Ų | 63 | 97.7 Ų | 97.7 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L26 V27 T28 G34 | L26-A30 VanDerWaalsContact O-CB 3.22Å; L26-A30 WeakPolarHBondContact O-CB 3.18Å; L26-A30 PolarHBondContact O-N 2.98Å; V27-A30 PolarHBondContact O-N 3.35Å; T28-A30 PolarHBondContact O-N 3.43Å; A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 2.93Å |
| 31 | I | 83.4 | Confident | 74.5 | Confident | 98 Ų | 98 | 98.6 Ų | 98.6 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 174.6 | -70.3 | 166.6 | 0 | 0 | 0 | 110.2 | V27 T28 G34 W35 | V27-I31 HydrophobicContact CG1-CD1 3.8Å; V27-I31 HydrophobicContact CG1-CG1 4.46Å; V27-I31 WeakPolarHBondContact O-CB 3.32Å; V27-I31 VanDerWaalsContact O-CG1 3.26Å; V27-I31 WeakPolarHBondContact O-CG1 3.25Å; V27-I31 PolarHBondContact O-N 2.97Å; T28-I31 PolarHBondContact O-N 3.18Å; I31-G34 PolarHBondContact O-N 3.13Å; I31-W35 WeakPolarHBondContact O-CB 3.47Å; I31-W35 PolarHBondContact O-N 3.03Å |
| 32 | V | 78.3 | Confident | 72.2 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -49.3 | 178.2 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | T28 A29 G34 W35 F36 | T28-V32 WeakPolarHBondContact O-CB 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.34Å; T28-V32 PolarHBondContact O-N 3.05Å; A29-V32 PolarHBondContact O-N 3.18Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.4Å; V32-W35 PolarHBondContact O-N 2.96Å; V32-F36 HydrophobicContact CG1-CD2 3.64Å; V32-F36 HydrophobicContact CG1-CE2 3.87Å; V32-F36 WeakPolarHBondContact O-CB 3.39Å; V32-F36 WeakPolarHBondContact O-CD2 3.32Å; V32-F36 PolarHBondContact O-N 3.38Å |
| 33 | L | 76.9 | Confident | 69.9 | Low | 127 Ų | 127 | 104.6 Ų | 104.6 | 67% | 0.665 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.7 | -28.4 | 175.8 | -68.7 | 171.1 | 0 | 0 | 0 | 112.6 | A29 G37 | A29-L33 WeakPolarHBondContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.3Å; A29-L33 PolarHBondContact O-N 3.33Å; L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 3.28Å |
| 34 | G | 72.4 | Confident | 67.4 | Low | 26 Ų | 26 | 107 Ų | 107 | 27% | 0.268 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.8 | -42.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A30 I31 V32 F38 | A30-G34 WeakPolarHBondContact O-CA 3.38Å; A30-G34 PolarHBondContact O-N 2.93Å; I31-G34 PolarHBondContact O-N 3.13Å; V32-G34 VanDerWaalsContact C-N 3.27Å; V32-G34 PolarHBondContact O-N 3.4Å; G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 3.27Å |
| 35 | W | 65.2 | Low | 64.9 | Low | 219 Ų | 219 | 111.7 Ų | 111.7 | 83% | 0.83 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -34.6 | 177.5 | -115.8 | -2.5 | 0 | 0 | 0 | 112.7 | I31 V32 | I31-W35 WeakPolarHBondContact O-CB 3.47Å; I31-W35 PolarHBondContact O-N 3.03Å; V32-W35 PolarHBondContact O-N 2.96Å |
| 36 | F | 57.4 | Low | 62 | Low | 149 Ų | 149 | 110.4 Ų | 110.4 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.3 | -23.9 | 174.6 | -73.9 | -72.2 | 0 | 0 | 0 | 113.2 | V32 V40 | V32-F36 HydrophobicContact CG1-CD2 3.64Å; V32-F36 HydrophobicContact CG1-CE2 3.87Å; V32-F36 WeakPolarHBondContact O-CB 3.39Å; V32-F36 WeakPolarHBondContact O-CD2 3.32Å; V32-F36 PolarHBondContact O-N 3.38Å; F36-V40 VanDerWaalsContact O-CG2 3.32Å; F36-V40 WeakPolarHBondContact O-CG2 3.36Å |
| 37 | G | 51.7 | Low | 59.6 | Low | 41 Ų | 41 | 114.3 Ų | 114.3 | 42% | 0.423 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -95.2 | -9.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L33 | L33-G37 WeakPolarHBondContact O-CA 3.37Å; L33-G37 PolarHBondContact O-N 3.28Å |
| 38 | F | 48.9 | Very low | 57 | Low | 192 Ų | 192 | 118.5 Ų | 118.5 | 84% | 0.842 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -87.8 | -8.2 | 171.3 | -88.1 | -80.1 | 0 | 0 | 0 | 114 | G34 | G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 3.27Å |
| 39 | D | 45.9 | Very low | 54.7 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 83% | 0.829 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -107 | 17.8 | 169.6 | -85.6 | -35.3 | 0 | 0 | 0 | 113.1 | ||
| 40 | V | 44.6 | Very low | 52.1 | Low | 78 Ų | 78 | 126.3 Ų | 126.3 | 47% | 0.473 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -120.4 | 117.4 | 174.9 | 179 | 0 | 0 | 0 | 0 | 109.2 | F36 V42 F43 | F36-V40 VanDerWaalsContact O-CG2 3.32Å; F36-V40 WeakPolarHBondContact O-CG2 3.36Å; V40-V42 PolarHBondContact O-N 2.93Å; V40-F43 HydrophobicContact CG1-CD2 3.85Å; V40-F43 HydrophobicContact CG1-CE2 4.15Å |
| 41 | P | 43.4 | Very low | 50.1 | Low | 87 Ų | 87 | 132.8 Ų | 132.8 | 57% | 0.565 | 70% | 0.698 | S | S | * | * | trans | -64.3 | 122.5 | 169.5 | 27 | -29.2 | 0 | 0 | 0 | 108.5 | F43 | P41-F43 WeakPolarHBondContact O-CD2 3.38Å; P41-F43 WeakPolarHBondContact O-CE2 3.42Å; P41-F43 PolarHBondContact O-N 3.32Å | ||
| 42 | V | 40.5 | Very low | 47.9 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | trans | -10.7 | 93.3 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 114.5 | V40 | V40-V42 PolarHBondContact O-N 2.93Š| ||
| 43 | F | 42.4 | Very low | 46.4 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | trans | -102.5 | 97.4 | 158 | -66.1 | -83.1 | 0 | 0 | 0 | 107.1 | V40 P41 | V40-F43 HydrophobicContact CG1-CD2 3.85Å; V40-F43 HydrophobicContact CG1-CE2 4.15Å; P41-F43 WeakPolarHBondContact O-CD2 3.38Å; P41-F43 WeakPolarHBondContact O-CE2 3.42Å; P41-F43 PolarHBondContact O-N 3.32Å | ||
| 44 | L | 38.8 | Very low | 45.3 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | trans | 176.3 | 67.3 | 154.8 | -96.4 | 175.6 | 0 | 0 | 0 | 109.4 | ||||
| 45 | L | 39.1 | Very low | 44.9 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -176.6 | 70.2 | 153.5 | -104.6 | 149.2 | 0 | 0 | 0 | 110.5 | ||
| 46 | S | 32.6 | Very low | 45.2 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -177.5 | 73.3 | 155.7 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | E48 | S46-E48 VanDerWaalsContact C-N 3.3Å; S46-E48 PolarHBondContact O-N 3.21Å | ||
| 47 | H | 42.5 | Very low | 46.3 | Very low | 186 Ų | 186 | 123 Ų | 123 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | trans | -90 | 79.5 | 153.9 | 178.9 | -70.7 | 0 | 0 | 0 | 106 | ||||
| 48 | E | 35.3 | Very low | 47.9 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -179.5 | 110.9 | 157.6 | -102.4 | 168.1 | 160.3 | 0 | 0 | 108 | S46 | S46-E48 VanDerWaalsContact C-N 3.3Å; S46-E48 PolarHBondContact O-N 3.21Å |
| 49 | D | 38.5 | Very low | 49.7 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 50.4 | 78.6 | 152.8 | -57.7 | -24.9 | 0 | 0 | 0 | 119.5 | ||
| 50 | S | 33.4 | Very low | 51.6 | Low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | -166.5 | 120.8 | 127.8 | -3.3 | 0 | 0 | 0 | 0 | 109.9 | S52 | S50-S52 PolarHBondContact O-N 3.28Š| |||
| 51 | E | 39.5 | Very low | 53.4 | Low | 198 Ų | 198 | 121.3 Ų | 121.3 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | trans | -62.9 | 74 | 157.5 | -71.2 | -179.4 | 144.1 | 0 | 0 | 109 | T53 | E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.31Å | ||
| 52 | S | 38 | Very low | 55.3 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -87.5 | 81.1 | 159.9 | 66.4 | 0 | 0 | 0 | 0 | 106.5 | S50 V54 | S50-S52 PolarHBondContact O-N 3.28Å; S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.95Å | ||
| 53 | T | 48.1 | Very low | 57.4 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 61% | 0.613 | 66% | 0.664 | S | S | * | * | trans | -52.4 | 101 | 159.5 | 36.7 | 0 | 0 | 0 | 0 | 106.6 | E51 S55 | E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.31Å; T53-S55 PolarHBondContact O-N 2.86Å | ||
| 54 | V | 52.5 | Low | 59.6 | Low | 120 Ų | 120 | 121.2 Ų | 121.2 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -68 | 87.9 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 105.1 | S52 T56 | S52-V54 VanDerWaalsContact C-N 3.28Å; S52-V54 PolarHBondContact O-N 2.95Å; V54-T56 PolarHBondContact O-N 3.42Å; V54-T56 VanDerWaalsContact O-N 3.14Å | ||
| 55 | S | 64.3 | Low | 62.1 | Low | 80 Ų | 80 | 117.3 Ų | 117.3 | 56% | 0.559 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.5 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | T53 | T53-S55 PolarHBondContact O-N 2.86Š|
| 56 | T | 71.6 | Confident | 64.6 | Low | 17 Ų | 17 | 111.3 Ų | 111.3 | 10% | 0.104 | 61% | 0.608 | C | S | . | * | P | Polyproline II helix | trans | -49.8 | 129.5 | 172.1 | -46.2 | 0 | 0 | 0 | 0 | 108.3 | V54 E58 M286 V299 | V54-T56 PolarHBondContact O-N 3.42Å; V54-T56 VanDerWaalsContact O-N 3.14Å; T56-E58 PolarHBondContact O-N 3.39Å; T56-M286 VanDerWaalsContact CB-CE 3.45Å; T56-M286 HydrophobicContact CG2-CE 4.27Å; T56-V299 HydrophobicContact CG2-CG1 3.77Å |
| 57 | P | 81.4 | Confident | 67.5 | Low | 77 Ų | 77 | 106 Ų | 106 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -57 | 129.7 | -177.4 | 20 | -30.9 | 0 | 0 | 0 | 110.6 | L300 E301 S302 | P57-L300 VanDerWaalsContact CD-O 3.28Å; P57-L300 WeakPolarHBondContact CD-O 2.98Å; P57-L300 WeakPolarHBondContact CG-O 3.45Å; P57-E301 HydrophobicContact CG-CG 4.02Å; P57-E301 WeakPolarHBondContact O-CA 3.33Å; P57-S302 PolarHBondContact O-N 3.5Å; P57-S302 VanDerWaalsContact O-N 3.1Å |
| 58 | E | 83.9 | Confident | 69.9 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 125.5 | 179.5 | -178 | 165.9 | -167.9 | 0 | 0 | 110 | T56 R271 S302 | T56-E58 PolarHBondContact O-N 3.39Å; E58-R271 IonicContact OE1-CZ 3.16Å; E58-R271 IonicContact OE1-NH1 2.74Å; E58-R271 PolarHBondContact OE1-NH1 3.36Å; E58-R271 IonicContact OE1-NH2 3.38Å; E58-R271 IonicContact OE2-NH1 3.62Å; E58-R271 IonicContact OE2-NH2 3.92Å; E58-S302 CarbonylContact C-O 3.5Å; E58-S302 WeakPolarHBondContact CA-O 3.17Å |
| 59 | K | 86.3 | Confident | 72.7 | Confident | 114 Ų | 114 | 92.5 Ų | 92.5 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 132.5 | 171.5 | -169.5 | 169 | -168.8 | 160 | 0 | 109 | M61 L274 E301 S302 F303 | K59-M61 PolarHBondContact O-N 2.73Å; K59-L274 HydrophobicContact CD-CD1 4.23Å; K59-E301 IonicContact NZ-OE2 3.16Å; K59-S302 PolarHBondContact N-O 2.84Å; K59-F303 HydrophobicContact CB-CB 4.46Å; K59-F303 WeakPolarHBondContact O-CB 3.32Å |
| 60 | L | 85.8 | Confident | 75.3 | Confident | 134 Ų | 134 | 85.7 Ų | 85.7 | 70% | 0.702 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 126.7 | 175.5 | -66.6 | 172.4 | 0 | 0 | 0 | 109.8 | ||
| 61 | M | 82.6 | Confident | 78.2 | Confident | 76 Ų | 76 | 82.8 Ų | 82.8 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 127.8 | 170.2 | -169.9 | 174.8 | 67.2 | 0 | 0 | 108.8 | K59 F303 S304 L305 P307 | K59-M61 PolarHBondContact O-N 2.73Å; M61-F303 HydrophobicContact CB-CD2 3.94Å; M61-F303 HydrophobicContact CG-CD2 4.09Å; M61-F303 HydrophobicContact CG-CE2 4.25Å; M61-F303 HydrophobicContact SD-CD2 3.8Å; M61-F303 HydrophobicContact SD-CE2 3.63Å; M61-S304 WeakPolarHBondContact CE-O 3.44Å; M61-L305 WeakPolarHBondContact CE-O 3.21Å; M61-P307 HydrophobicContact CE-CG 3.8Å |
| 62 | V | 84.4 | Confident | 80.8 | Confident | 110 Ų | 110 | 75.8 Ų | 75.8 | 67% | 0.667 | 43% | 0.429 | S | S | * | . | trans | -107.8 | 134.5 | 174.5 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | E64 | V62-E64 HydrophobicContact CG1-CG 4.39Š| ||
| 63 | Q | 85 | Confident | 83.2 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | trans | -89.1 | 127.2 | 174 | -175 | 175.2 | 1.2 | 0 | 0 | 109.4 | ||||
| 64 | E | 87.4 | Confident | 84.8 | Confident | 103 Ų | 103 | 73.3 Ų | 73.3 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | trans | -131.4 | 134.9 | 175.9 | -76.9 | -71.9 | 175.6 | 0 | 0 | 108.9 | V62 N66 | V62-E64 HydrophobicContact CG1-CG 4.39Å; E64-N66 PolarHBondContact O-N 3.11Å | ||
| 65 | T | 90.7 | Very high | 86.2 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | trans | -84.5 | 116.5 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | P67 L90 Y187 | T65-P67 WeakPolarHBondContact O-CD 3.45Å; T65-L90 HydrophobicContact CG2-CD1 3.88Å; T65-Y187 HydrophobicContact CG2-CD1 4.29Å; T65-Y187 HydrophobicContact CG2-CE1 3.89Å | ||
| 66 | N | 92.4 | Very high | 87 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | trans | -90.9 | 113.1 | 173.4 | 178.6 | 14.3 | 0 | 0 | 0 | 110.2 | E64 F68 I189 | E64-N66 PolarHBondContact O-N 3.11Å; N66-F68 VanDerWaalsContact CG-O 3.27Å; N66-F68 PolarHBondContact ND2-O 3.26Å; N66-F68 PolarHBondContact O-N 3.13Å; N66-F68 PolarHBondContact OD1-N 3.37Å; N66-F68 PolarHBondContact OD1-O 3.37Å; N66-I189 HydrophobicContact CB-CD1 3.79Å | ||
| 67 | P | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | trans | -74.6 | -7.9 | 179.6 | 31.2 | -34.3 | 0 | 0 | 0 | 113.3 | T65 C89 L90 L178 Y187 | T65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-C89 VanDerWaalsContact O-CA 3.32Å; P67-C89 WeakPolarHBondContact O-CA 3.19Å; P67-L90 HydrophobicContact CB-CB 4.48Å; P67-L90 PolarHBondContact O-N 3.37Å; P67-L178 HydrophobicContact CB-CD2 4.34Å; P67-L178 HydrophobicContact CG-CD2 4.41Å; P67-Y187 HydrophobicContact CB-CD1 3.99Å; P67-Y187 HydrophobicContact CB-CD2 4.35Å; P67-Y187 HydrophobicContact CB-CE1 3.97Å; P67-Y187 HydrophobicContact CB-CE2 4.38Å; P67-Y187 HydrophobicContact CB-CG 4.18Å; P67-Y187 HydrophobicContact CG-CD1 3.99Å; P67-Y187 HydrophobicContact CG-CD2 4.38Å; P67-Y187 HydrophobicContact CG-CE1 4.48Å; P67-Y187 HydrophobicContact CG-CG 3.93Å | ||
| 68 | F | 94.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.013 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.1 | -171.8 | -48.2 | -67 | 0 | 0 | 0 | 112.4 | N66 C93 L176 L178 I189 N192 | N66-F68 VanDerWaalsContact CG-O 3.27Å; N66-F68 PolarHBondContact ND2-O 3.26Å; N66-F68 PolarHBondContact O-N 3.13Å; N66-F68 PolarHBondContact OD1-N 3.37Å; N66-F68 PolarHBondContact OD1-O 3.37Å; F68-C93 VanDerWaalsContact CD1-SG 3.57Å; F68-C93 HydrophobicContact CE1-CB 4.49Å; F68-C93 WeakPolarHBondContact CE1-SG 3.38Å; F68-L176 HydrophobicContact CB-CB 4.24Å; F68-L176 HydrophobicContact CB-CD1 4.04Å; F68-L176 HydrophobicContact CD1-CB 3.73Å; F68-L176 HydrophobicContact CE1-CB 4.28Å; F68-L176 HydrophobicContact CG-CB 4.08Å; F68-L178 HydrophobicContact CE1-CD2 4.04Å; F68-L178 HydrophobicContact CE1-CG 4.03Å; F68-L178 HydrophobicContact CZ-CD2 4.23Å; F68-L178 HydrophobicContact CZ-CG 3.8Å; F68-I189 HydrophobicContact CD2-CG2 3.95Å; F68-I189 HydrophobicContact CE2-CG2 3.93Å; F68-N192 HydrophobicContact CB-CB 3.64Å; F68-N192 HydrophobicContact CD2-CB 3.73Å; F68-N192 HydrophobicContact CG-CB 3.89Å |
| 69 | S | 92.6 | Very high | 88.8 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.2 | 162.9 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | P87 C88 | S69-P87 WeakPolarHBondContact O-CA 3.49Å; S69-C88 WeakPolarHBondContact CB-O 3.24Å; S69-C88 PolarHBondContact N-O 3Å; S69-C88 VanDerWaalsContact N-O 3.11Å; S69-C88 PolarHBondContact O-N 2.82Å |
| 70 | L | 94.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123.5 | 175.4 | -168.4 | 75.1 | 0 | 0 | 0 | 108.6 | L85 P87 L95 A174 L176 I194 I196 | L70-L85 HydrophobicContact CD1-CB 4.03Å; L70-L85 HydrophobicContact CD2-CD1 4.46Å; L70-L85 HydrophobicContact CD2-CD2 4.47Å; L70-P87 HydrophobicContact CD1-CB 3.82Å; L70-L95 HydrophobicContact CD1-CD1 4.32Å; L70-L95 HydrophobicContact CD1-CD2 4.3Å; L70-L95 HydrophobicContact CD2-CD1 4.41Å; L70-A174 HydrophobicContact CD2-CB 3.68Å; L70-L176 HydrophobicContact CB-CD1 4Å; L70-L176 HydrophobicContact CD1-CD1 4.4Å; L70-I194 HydrophobicContact CB-CD1 3.4Å; L70-I194 HydrophobicContact CD2-CD1 3.55Å; L70-I194 HydrophobicContact CG-CD1 4.09Å; L70-I196 HydrophobicContact CD2-CD1 4.39Å |
| 71 | A | 93.6 | Very high | 89 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 159.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K86 | A71-K86 HydrophobicContact CB-CB 4.47Å; A71-K86 PolarHBondContact N-O 2.93Å; A71-K86 PolarHBondContact O-N 3.11Å |
| 72 | L | 93.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.267 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.5 | 166 | -65.3 | 172.9 | 0 | 0 | 0 | 108.6 | V83 L85 I196 A207 | L72-V83 HydrophobicContact CD2-CG1 4.02Å; L72-L85 HydrophobicContact CD2-CD2 3.85Å; L72-I196 HydrophobicContact CD2-CD1 4.16Å; L72-I196 HydrophobicContact CD2-CG2 3.85Å; L72-A207 HydrophobicContact CD1-CB 4.23Å |
| 73 | G | 88.6 | Confident | 90 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | trans | -69.6 | 165.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G75 L84 | G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.45Å; G73-L84 PolarHBondContact N-O 3.29Å | ||
| 74 | S | 82.6 | Confident | 90.5 | Very high | 122 Ų | 122 | 46.2 Ų | 46.2 | 85% | 0.853 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -83.2 | -1.8 | -174.1 | -61.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 75 | G | 81.8 | Confident | 90.9 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -82 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G73 | G73-G75 VanDerWaalsContact C-N 3.31Å; G73-G75 PolarHBondContact O-N 3.45Å |
| 76 | P | 81.6 | Confident | 91 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 67% | 0.669 | 26% | 0.264 | S | S | * | . | trans | -61.2 | 140.4 | 176 | 27.3 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 77 | A | 90.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 24% | 0.24 | 25% | 0.252 | C | S | . | . | trans | -124.8 | 118.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G82 V83 P199 A207 | A77-G82 WeakPolarHBondContact CA-O 3.48Å; A77-V83 HydrophobicContact CB-CG2 3.97Å; A77-P199 WeakPolarHBondContact O-CD 3.37Å; A77-P199 WeakPolarHBondContact O-CG 3.2Å; A77-A207 HydrophobicContact CB-CB 3.52Å | ||
| 78 | C | 91.9 | Very high | 91 | Very high | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -158.7 | 167.3 | 171.2 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | S80 D81 G82 P199 | C78-S80 VanDerWaalsContact C-N 3.29Å; C78-S80 PolarHBondContact O-N 2.86Å; C78-S80 PolarHBondContact SG-OG 3.49Å; C78-D81 WeakPolarHBondContact SG-CB 3.42Å; C78-D81 PolarHBondContact SG-N 3.46Å; C78-D81 PolarHBondContact SG-OD2 2.82Å; C78-G82 PolarHBondContact N-O 3.22Å; C78-G82 CarbonylContact O-C 3.57Å; C78-G82 VanDerWaalsContact O-CA 3.28Å; C78-G82 WeakPolarHBondContact O-CA 3.42Å; C78-G82 PolarHBondContact O-N 2.79Å; C78-G82 VanDerWaalsContact O-O 3.06Å; C78-P199 CarbonylContact C-O 3.53Å; C78-P199 WeakPolarHBondContact CA-O 3.44Å |
| 79 | V | 91 | Very high | 90.8 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -34.7 | -179.8 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | I153 I159 F162 V198 P199 D200 | V79-I153 HydrophobicContact CG1-CD1 4.1Å; V79-I159 WeakPolarHBondContact CG1-O 3.39Å; V79-F162 HydrophobicContact CG1-CE2 4.38Å; V79-F162 HydrophobicContact CG2-CD2 4.41Å; V79-F162 HydrophobicContact CG2-CE2 3.6Å; V79-F162 HydrophobicContact CG2-CZ 4.43Å; V79-V198 HydrophobicContact CG2-CG1 4.24Å; V79-P199 WeakPolarHBondContact CG2-O 3.17Å; V79-P199 PolarHBondContact N-O 2.74Å; V79-D200 HydrophobicContact CB-CB 4.34Å; V79-D200 HydrophobicContact CG2-CB 3.54Å |
| 80 | S | 87.9 | Confident | 90.8 | Very high | 92 Ų | 92 | 43 Ų | 43 | 64% | 0.643 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -42.5 | -179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | C78 | C78-S80 VanDerWaalsContact C-N 3.29Å; C78-S80 PolarHBondContact O-N 2.86Å; C78-S80 PolarHBondContact SG-OG 3.49Å |
| 81 | D | 89 | Confident | 90.6 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -9.1 | -172.3 | -49.7 | -17.1 | 0 | 0 | 0 | 111.4 | C78 H150 | C78-D81 WeakPolarHBondContact SG-CB 3.42Å; C78-D81 PolarHBondContact SG-N 3.46Å; C78-D81 PolarHBondContact SG-OD2 2.82Å; D81-H150 PolarHBondContact O-CE1 2.81Å; D81-H150 VanDerWaalsContact O-CE1 3.27Å; D81-H150 PolarHBondContact O-NE2 3.02Å |
| 82 | G | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | 84.3 | -166.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | A77 C78 T151 | A77-G82 WeakPolarHBondContact CA-O 3.48Å; C78-G82 PolarHBondContact N-O 3.22Å; C78-G82 CarbonylContact O-C 3.57Å; C78-G82 VanDerWaalsContact O-CA 3.28Å; C78-G82 WeakPolarHBondContact O-CA 3.42Å; C78-G82 PolarHBondContact O-N 2.79Å; C78-G82 VanDerWaalsContact O-O 3.06Å; G82-T151 CarbonylContact C-O 3.57Å; G82-T151 WeakPolarHBondContact CA-O 3.23Å |
| 83 | V | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | L72 A77 L85 W99 T151 L172 V198 | L72-V83 HydrophobicContact CD2-CG1 4.02Å; A77-V83 HydrophobicContact CB-CG2 3.97Å; V83-L85 HydrophobicContact CG1-CD2 3.82Å; V83-L85 HydrophobicContact CG1-CG 4.42Å; V83-W99 HydrophobicContact CG2-CH2 4.03Å; V83-T151 PolarHBondContact N-O 3.43Å; V83-T151 PolarHBondContact O-N 2.94Å; V83-L172 HydrophobicContact CB-CD2 4.46Å; V83-V198 HydrophobicContact CG2-CB 4.2Å; V83-V198 HydrophobicContact CG2-CG1 3.5Å; V83-V198 VanDerWaalsContact CG2-CG1 3.5Å; V83-V198 HydrophobicContact CG2-CG2 3.65Å |
| 84 | L | 95.6 | Very high | 91 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.4 | 168.5 | -70 | 162.5 | 0 | 0 | 0 | 109.5 | G73 E148 H150 | G73-L84 PolarHBondContact N-O 3.29Å; L84-E148 HydrophobicContact CD2-CB 4.24Å; L84-H150 HydrophobicContact CD2-CB 3.64Å |
| 85 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | 176.9 | -57.8 | 176.9 | 0 | 0 | 0 | 108.3 | L70 L72 V83 P87 L95 E148 C149 T151 L172 A174 I196 | L70-L85 HydrophobicContact CD1-CB 4.03Å; L70-L85 HydrophobicContact CD2-CD1 4.46Å; L70-L85 HydrophobicContact CD2-CD2 4.47Å; L72-L85 HydrophobicContact CD2-CD2 3.85Å; V83-L85 HydrophobicContact CG1-CD2 3.82Å; V83-L85 HydrophobicContact CG1-CG 4.42Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; L85-L95 HydrophobicContact CB-CD2 4.49Å; L85-L95 HydrophobicContact CD1-CD2 4.16Å; L85-E148 CarbonylContact O-C 3.53Å; L85-E148 WeakPolarHBondContact O-CA 3.4Å; L85-C149 PolarHBondContact N-O 2.86Å; L85-C149 PolarHBondContact O-N 3.42Å; L85-T151 HydrophobicContact CD1-CG2 3.98Å; L85-T151 HydrophobicContact CG-CG2 4.44Å; L85-L172 HydrophobicContact CD1-CD2 4.43Å; L85-L172 HydrophobicContact CD2-CD2 4.46Å; L85-A174 HydrophobicContact CD1-CB 4.42Å; L85-I196 HydrophobicContact CD2-CD1 3.72Å |
| 86 | K | 94.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 34 Ų | 34 | 26% | 0.261 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 94.6 | 175.9 | -172.1 | 176 | -179.5 | 176.7 | 0 | 109.3 | A71 E146 E148 | A71-K86 HydrophobicContact CB-CB 4.47Å; A71-K86 PolarHBondContact N-O 2.93Å; A71-K86 PolarHBondContact O-N 3.11Å; K86-E146 IonicContact NZ-OE2 2.74Å; K86-E146 PolarHBondContact NZ-OE2 3.04Å; K86-E148 HydrophobicContact CB-CG 4.26Å; K86-E148 HydrophobicContact CG-CG 4.41Å |
| 87 | P | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 140.3 | 172.2 | 30.7 | -32.1 | 0 | 0 | 0 | 110.3 | S69 L70 L85 I141 | S69-P87 WeakPolarHBondContact O-CA 3.49Å; L70-P87 HydrophobicContact CD1-CB 3.82Å; L85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-I141 HydrophobicContact CB-CD1 4.41Å; P87-I141 HydrophobicContact CB-CG1 4.19Å; P87-I141 HydrophobicContact CB-CG2 4.01Å; P87-I141 HydrophobicContact CG-CD1 3.62Å; P87-I141 HydrophobicContact CG-CG1 3.93Å; P87-I141 HydrophobicContact CG-CG2 3.87Å |
| 88 | C | 90.6 | Very high | 93.5 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 41% | 0.405 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 95.3 | 172.5 | -58.2 | 0 | 0 | 0 | 0 | 107.2 | S69 | S69-C88 WeakPolarHBondContact CB-O 3.24Å; S69-C88 PolarHBondContact N-O 3Å; S69-C88 VanDerWaalsContact N-O 3.11Å; S69-C88 PolarHBondContact O-N 2.82Å |
| 89 | C | 91.5 | Very high | 93.7 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.5 | -171.8 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | P67 E91 C93 | P67-C89 VanDerWaalsContact O-CA 3.32Å; P67-C89 WeakPolarHBondContact O-CA 3.19Å; C89-E91 VanDerWaalsContact C-N 3.28Å; C89-E91 WeakPolarHBondContact CB-O 3.5Å; C89-C93 HydrophobicContact CB-CB 4.19Å |
| 90 | L | 91.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 26.2 Ų | 26.2 | 53% | 0.529 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -72.3 | -27.7 | 176.7 | -61 | -178.5 | 0 | 0 | 0 | 112 | T65 P67 S143 | T65-L90 HydrophobicContact CG2-CD1 3.88Å; P67-L90 HydrophobicContact CB-CB 4.48Å; P67-L90 PolarHBondContact O-N 3.37Å; L90-S143 WeakPolarHBondContact O-CB 3.41Å |
| 91 | E | 91.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 22% | 0.22 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -125.9 | 162.8 | -178.4 | -61.6 | -64 | 169.4 | 0 | 0 | 110.6 | C89 C93 L178 A183 Y187 | C89-E91 VanDerWaalsContact C-N 3.28Å; C89-E91 WeakPolarHBondContact CB-O 3.5Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 PolarHBondContact O-SG 2.94Å; E91-L178 HydrophobicContact CB-CD2 3.63Å; E91-L178 HydrophobicContact CG-CD2 4.08Å; E91-A183 HydrophobicContact CG-CB 4.36Å; E91-Y187 HydrophobicContact CG-CD2 4.48Å; E91-Y187 HydrophobicContact CG-CE2 3.49Å; E91-Y187 VanDerWaalsContact CG-CE2 3.49Å; E91-Y187 PolarHBondContact OE1-OH 3.07Å |
| 92 | P | 93 | Very high | 94.7 | Very high | 18 Ų | 18 | 19.8 Ų | 19.8 | 12% | 0.117 | 11% | 0.106 | C | C | . | . | trans | -55.7 | 123.9 | 168.2 | -24.1 | 34.5 | 0 | 0 | 0 | 112.1 | Y140 I141 A179 | P92-Y140 HydrophobicContact CB-CE1 4.35Å; P92-I141 CarbonylContact C-O 3.57Å; P92-I141 VanDerWaalsContact CA-O 3.28Å; P92-I141 WeakPolarHBondContact CA-O 3.46Å; P92-A179 HydrophobicContact CB-CB 4.27Å; P92-A179 WeakPolarHBondContact O-CB 3.34Å; P92-A179 PolarHBondContact O-N 2.9Å | ||
| 93 | C | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.5 | -174.1 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | F68 C89 E91 I141 L176 T177 | F68-C93 VanDerWaalsContact CD1-SG 3.57Å; F68-C93 HydrophobicContact CE1-CB 4.49Å; F68-C93 WeakPolarHBondContact CE1-SG 3.38Å; C89-C93 HydrophobicContact CB-CB 4.19Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 PolarHBondContact O-SG 2.94Å; C93-I141 HydrophobicContact CB-CB 4.43Å; C93-I141 PolarHBondContact N-O 2.91Å; C93-I141 PolarHBondContact O-N 3.2Å; C93-L176 HydrophobicContact CB-CD2 4.26Å; C93-T177 CarbonylContact C-O 3.57Å; C93-T177 WeakPolarHBondContact CA-O 3.35Å |
| 94 | V | 95.5 | Very high | 94.8 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.7 | 167.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | P122 F139 Y140 L176 T177 A179 | V94-P122 HydrophobicContact CB-CG 3.74Å; V94-P122 HydrophobicContact CG1-CB 4.32Å; V94-P122 HydrophobicContact CG1-CG 3.67Å; V94-P122 HydrophobicContact CG2-CG 4.22Å; V94-F139 WeakPolarHBondContact CA-O 3.32Å; V94-Y140 HydrophobicContact CG2-CD2 4.23Å; V94-L176 WeakPolarHBondContact O-CA 3.29Å; V94-T177 PolarHBondContact N-O 3.47Å; V94-T177 PolarHBondContact O-N 3.36Å; V94-T177 VanDerWaalsContact O-N 3.12Å; V94-A179 HydrophobicContact CG2-CB 3.98Å |
| 95 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.6 | 171.4 | 173.4 | 62.1 | 0 | 0 | 0 | 108.9 | L70 L85 T138 F139 I141 C149 A174 L176 | L70-L95 HydrophobicContact CD1-CD1 4.32Å; L70-L95 HydrophobicContact CD1-CD2 4.3Å; L70-L95 HydrophobicContact CD2-CD1 4.41Å; L85-L95 HydrophobicContact CB-CD2 4.49Å; L85-L95 HydrophobicContact CD1-CD2 4.16Å; L95-T138 CarbonylContact O-C 3.57Å; L95-T138 VanDerWaalsContact O-CA 3.24Å; L95-T138 WeakPolarHBondContact O-CA 3.47Å; L95-F139 HydrophobicContact CB-CB 4.31Å; L95-F139 HydrophobicContact CD2-CD2 4.15Å; L95-F139 HydrophobicContact CG-CD2 4.34Å; L95-F139 PolarHBondContact N-O 3.24Å; L95-F139 PolarHBondContact O-N 2.77Å; L95-I141 HydrophobicContact CB-CD1 4.29Å; L95-I141 HydrophobicContact CB-CG1 4.03Å; L95-C149 HydrophobicContact CD2-CB 4.15Å; L95-A174 HydrophobicContact CD1-CB 4.01Å; L95-L176 HydrophobicContact CB-CD2 3.76Å; L95-L176 HydrophobicContact CD1-CD2 3.91Å; L95-L176 HydrophobicContact CD1-CG 4.04Å; L95-L176 HydrophobicContact CG-CD2 4.39Å |
| 96 | S | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.8 | 175.6 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | A174 V175 | S96-A174 CarbonylContact O-C 3.51Å; S96-A174 WeakPolarHBondContact O-CA 3.49Å; S96-V175 PolarHBondContact N-O 3.27Å; S96-V175 PolarHBondContact O-N 2.9Å |
| 97 | C | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.1 | -179 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | H136 Q137 T151 L172 | C97-H136 WeakPolarHBondContact O-CA 3.34Å; C97-Q137 PolarHBondContact N-O 3.14Å; C97-Q137 PolarHBondContact O-N 3.39Å; C97-T151 HydrophobicContact CB-CG2 4.2Å; C97-L172 HydrophobicContact CB-CD1 4.03Å |
| 98 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.1 | 177.6 | -57.4 | -88.3 | 0 | 0 | 0 | 110 | C101 L126 L129 F133 H136 L172 V173 V175 | F98-C101 HydrophobicContact CB-CB 4.36Å; F98-L126 HydrophobicContact CE1-CG 4.46Å; F98-L129 HydrophobicContact CD1-CD1 3.71Å; F98-L129 HydrophobicContact CD2-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD1 3.73Å; F98-L129 HydrophobicContact CE2-CD1 4.2Å; F98-L129 HydrophobicContact CG-CD1 3.95Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; F98-F133 AromaticContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD2 4.41Å; F98-F133 AromaticContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CG 4.07Å; F98-F133 HydrophobicContact CD1-CZ 4.37Å; F98-F133 HydrophobicContact CE1-CD1 4.39Å; F98-F133 HydrophobicContact CE1-CE1 4.12Å; F98-F133 HydrophobicContact CE1-CZ 4.46Å; F98-H136 HydrophobicContact CD1-CB 4.17Å; F98-H136 AromaticContact CD1-CD2 3.54Å; F98-H136 HydrophobicContact CE1-CB 4.39Å; F98-H136 AromaticContact CE1-CD2 3.18Å; F98-H136 WeakPolarHBondContact CE1-CD2 3.41Å; F98-H136 AromaticContact CE1-CG 3.91Å; F98-H136 AromaticContact CE1-NE2 3.8Å; F98-H136 AromaticContact CZ-CD2 3.6Å; F98-H136 AromaticContact CZ-NE2 3.83Å; F98-L172 WeakPolarHBondContact O-CA 3.34Å; F98-V173 HydrophobicContact CB-CB 4.42Å; F98-V173 PolarHBondContact N-O 2.99Å; F98-V173 PolarHBondContact O-N 3.15Å; F98-V175 HydrophobicContact CD2-CG2 4.17Å; F98-V175 HydrophobicContact CE2-CB 4.33Å; F98-V175 HydrophobicContact CE2-CG2 3.93Å |
| 99 | W | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.6 | 177.3 | -74.5 | 87.7 | 0 | 0 | 0 | 111.3 | V83 C101 H134 Y135 T151 I153 F162 P171 L172 V198 | V83-W99 HydrophobicContact CG2-CH2 4.03Å; W99-C101 VanDerWaalsContact C-N 3.32Å; W99-C101 PolarHBondContact O-N 3.16Å; W99-H134 PolarHBondContact O-N 2.84Å; W99-Y135 AromaticContact CD1-CD1 3.75Å; W99-Y135 HydrophobicContact CG-CD1 4.42Å; W99-Y135 PolarHBondContact N-O 2.99Å; W99-Y135 PolarHBondContact O-N 3.24Å; W99-T151 HydrophobicContact CZ2-CG2 4.01Å; W99-T151 WeakPolarHBondContact CZ2-O 3.34Å; W99-T151 PolarHBondContact NE1-OG1 2.95Å; W99-I153 HydrophobicContact CB-CD1 3.91Å; W99-I153 HydrophobicContact CB-CG1 3.74Å; W99-I153 HydrophobicContact CD2-CD1 4.02Å; W99-I153 HydrophobicContact CD2-CG1 3.49Å; W99-I153 VanDerWaalsContact CD2-CG1 3.49Å; W99-I153 HydrophobicContact CE3-CD1 3.66Å; W99-I153 HydrophobicContact CE3-CG1 3.58Å; W99-I153 HydrophobicContact CG-CD1 4.17Å; W99-I153 HydrophobicContact CG-CG1 3.59Å; W99-I153 HydrophobicContact CZ3-CD1 4.42Å; W99-I153 HydrophobicContact CZ3-CG1 4.3Å; W99-F162 HydrophobicContact CE3-CZ 4.3Å; W99-P171 WeakPolarHBondContact CA-O 3.29Å; W99-L172 HydrophobicContact CD2-CD1 4.1Å; W99-L172 HydrophobicContact CE3-CB 4.4Å; W99-L172 HydrophobicContact CG-CD1 4.23Å; W99-L172 HydrophobicContact CZ2-CD1 4.41Å; W99-L172 HydrophobicContact CZ2-CD2 4.31Å; W99-V198 HydrophobicContact CH2-CG1 4.1Å; W99-V198 HydrophobicContact CH2-CG2 4.12Å; W99-V198 HydrophobicContact CZ3-CB 4.23Å; W99-V198 HydrophobicContact CZ3-CG1 4.1Å; W99-V198 HydrophobicContact CZ3-CG2 4.04Å |
| 100 | G | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.8 | 37.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E102 H169 Y170 P171 | G100-E102 PolarHBondContact O-N 2.74Å; G100-H169 PolarHBondContact O-CD2 3.48Å; G100-H169 VanDerWaalsContact O-CD2 3.25Å; G100-Y170 CarbonylContact C-O 3.31Å; G100-Y170 WeakPolarHBondContact CA-O 3.4Å; G100-Y170 PolarHBondContact N-O 2.89Å; G100-P171 PolarHBondContact N-O 3.43Å |
| 101 | C | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | F98 W99 V103 H169 Y170 V173 | F98-C101 HydrophobicContact CB-CB 4.36Å; W99-C101 VanDerWaalsContact C-N 3.32Å; W99-C101 PolarHBondContact O-N 3.16Å; C101-V103 PolarHBondContact O-N 2.97Å; C101-H169 CarbonylContact O-C 3.58Å; C101-H169 VanDerWaalsContact O-CA 3.29Å; C101-H169 WeakPolarHBondContact O-CA 2.99Å; C101-Y170 PolarHBondContact N-O 3.43Å; C101-Y170 VanDerWaalsContact N-O 3.13Å; C101-Y170 PolarHBondContact O-N 2.89Å; C101-V173 HydrophobicContact CB-CB 4.26Å; C101-V173 HydrophobicContact CB-CG2 3.68Å |
| 102 | E | 96.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 24 Ų | 24 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 130.9 | 178.3 | -168.5 | -178.8 | 163 | 0 | 0 | 111.1 | G100 G104 A105 L106 R132 | G100-E102 PolarHBondContact O-N 2.74Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.37Å; E102-A105 HydrophobicContact CB-CB 3.97Å; E102-A105 PolarHBondContact O-N 3.38Å; E102-L106 PolarHBondContact O-N 2.85Å; E102-R132 HydrophobicContact CB-CB 4.22Å; E102-R132 PolarHBondContact N-O 2.7Å; E102-R132 IonicContact OE1-CZ 3.6Å; E102-R132 IonicContact OE1-NH2 2.73Å; E102-R132 PolarHBondContact OE1-NH2 2.8Å; E102-R132 IonicContact OE2-CZ 2.87Å; E102-R132 IonicContact OE2-NE 2.66Å; E102-R132 PolarHBondContact OE2-NE 3.49Å; E102-R132 IonicContact OE2-NH2 2.77Å; E102-R132 PolarHBondContact OE2-NH2 3.22Å |
| 103 | V | 95.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 23.3 Ų | 23.3 | 21% | 0.206 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | -176.4 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | C101 L106 Q107 K168 Y170 | C101-V103 PolarHBondContact O-N 2.97Å; V103-L106 PolarHBondContact O-N 2.84Å; V103-Q107 VanDerWaalsContact O-CG 3.3Å; V103-Q107 WeakPolarHBondContact O-CG 3.33Å; V103-Q107 PolarHBondContact O-N 2.96Å; V103-Q107 VanDerWaalsContact O-N 3.14Å; V103-K168 WeakPolarHBondContact CG2-O 3.31Å; V103-K168 PolarHBondContact N-O 3.49Å; V103-Y170 HydrophobicContact CB-CD2 4.39Å; V103-Y170 HydrophobicContact CB-CE2 3.97Å; V103-Y170 HydrophobicContact CG1-CE2 3.79Å; V103-Y170 HydrophobicContact CG2-CD1 4.16Å; V103-Y170 HydrophobicContact CG2-CD2 3.79Å; V103-Y170 HydrophobicContact CG2-CE1 4.01Å; V103-Y170 HydrophobicContact CG2-CE2 3.64Å; V103-Y170 HydrophobicContact CG2-CG 4.05Å |
| 104 | G | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 32% | 0.32 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E102 L106 Q107 D108 | E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.37Å; G104-L106 PolarHBondContact O-N 3.22Å; G104-Q107 PolarHBondContact O-N 2.86Å; G104-D108 VanDerWaalsContact O-CG 3.25Å; G104-D108 PolarHBondContact O-N 2.79Å |
| 105 | A | 95.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E102 Q107 D108 V109 L129 R132 | E102-A105 HydrophobicContact CB-CB 3.97Å; E102-A105 PolarHBondContact O-N 3.38Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.85Å; A105-D108 PolarHBondContact O-N 2.81Å; A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.32Å; A105-V109 PolarHBondContact O-N 2.85Å; A105-L129 HydrophobicContact CB-CD2 4.35Å; A105-R132 HydrophobicContact CB-CB 3.75Å; A105-R132 HydrophobicContact CB-CG 4.36Å |
| 106 | L | 95.5 | Very high | 92 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 177.1 | -177.3 | 63.9 | 0 | 0 | 0 | 111.8 | E102 V103 G104 D108 V109 L110 Y170 V173 V193 V195 | E102-L106 PolarHBondContact O-N 2.85Å; V103-L106 PolarHBondContact O-N 2.84Å; G104-L106 PolarHBondContact O-N 3.22Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-D108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.39Å; L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.41Å; L106-L110 HydrophobicContact CG-CD1 4.11Å; L106-L110 HydrophobicContact CG-CG 4.45Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 2.88Å; L106-Y170 HydrophobicContact CD2-CD2 3.9Å; L106-Y170 HydrophobicContact CD2-CE2 3.88Å; L106-V173 HydrophobicContact CD1-CG1 4.15Å; L106-V173 HydrophobicContact CD2-CG1 4.23Å; L106-V173 HydrophobicContact CD2-CG2 4Å; L106-V193 HydrophobicContact CD1-CG1 4.14Å; L106-V195 HydrophobicContact CD2-CG2 3.69Å |
| 107 | Q | 93.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 178.1 | -72.1 | -70.7 | -31 | 0 | 0 | 112.1 | V103 G104 A105 L110 R111 | V103-Q107 VanDerWaalsContact O-CG 3.3Å; V103-Q107 WeakPolarHBondContact O-CG 3.33Å; V103-Q107 PolarHBondContact O-N 2.96Å; V103-Q107 VanDerWaalsContact O-N 3.14Å; G104-Q107 PolarHBondContact O-N 2.86Å; A105-Q107 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.85Å; Q107-L110 PolarHBondContact O-N 2.82Å; Q107-R111 WeakPolarHBondContact O-CB 3.37Å; Q107-R111 PolarHBondContact O-N 2.77Å |
| 108 | D | 92.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.3 | -68.4 | -26.6 | 0 | 0 | 0 | 111.3 | G104 A105 L106 R111 T112 | G104-D108 VanDerWaalsContact O-CG 3.25Å; G104-D108 PolarHBondContact O-N 2.79Å; A105-D108 PolarHBondContact O-N 2.81Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-D108 PolarHBondContact O-N 2.88Å; D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 IonicContact OD1-NH1 3.46Å; D108-T112 WeakPolarHBondContact O-CB 3.49Å; D108-T112 PolarHBondContact O-N 2.82Å; D108-T112 PolarHBondContact O-OG1 2.76Å |
| 109 | V | 93 | Very high | 89.5 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 174.5 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | A105 L106 R111 T112 H113 L119 F125 A128 L129 | A105-V109 VanDerWaalsContact O-CG2 3.29Å; A105-V109 WeakPolarHBondContact O-CG2 3.32Å; A105-V109 PolarHBondContact O-N 2.85Å; L106-V109 PolarHBondContact O-N 3.39Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.8Å; V109-T112 PolarHBondContact O-N 3.12Å; V109-H113 PolarHBondContact O-N 2.91Å; V109-L119 HydrophobicContact CG1-CD1 3.38Å; V109-L119 HydrophobicContact CG1-CD2 4.31Å; V109-F125 HydrophobicContact CG1-CD1 4.13Å; V109-F125 HydrophobicContact CG1-CE1 4.24Å; V109-A128 HydrophobicContact CB-CB 4.47Å; V109-A128 HydrophobicContact CG1-CB 4.06Å; V109-A128 VanDerWaalsContact CG2-C 3.42Å; V109-A128 HydrophobicContact CG2-CB 3.72Å; V109-A128 VanDerWaalsContact CG2-O 3.24Å; V109-A128 WeakPolarHBondContact CG2-O 3.31Å; V109-L129 HydrophobicContact CG2-CD2 3.87Å; V109-L129 HydrophobicContact CG2-CG 4.15Å |
| 110 | L | 92.3 | Very high | 89 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.5 | -69.3 | 174.5 | 0 | 0 | 0 | 112.1 | L106 Q107 H113 V193 Y213 L215 M221 | L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.41Å; L106-L110 HydrophobicContact CG-CD1 4.11Å; L106-L110 HydrophobicContact CG-CG 4.45Å; L106-L110 WeakPolarHBondContact O-CB 3.3Å; L106-L110 VanDerWaalsContact O-CG 3.27Å; L106-L110 WeakPolarHBondContact O-CG 3.14Å; L106-L110 PolarHBondContact O-N 2.88Å; Q107-L110 PolarHBondContact O-N 2.82Å; L110-H113 WeakPolarHBondContact O-CB 3.36Å; L110-H113 PolarHBondContact O-N 2.89Å; L110-V193 HydrophobicContact CD2-CG2 4.33Å; L110-Y213 HydrophobicContact CD1-CD2 4.07Å; L110-Y213 HydrophobicContact CD1-CE2 4.17Å; L110-Y213 HydrophobicContact CD1-CG 4.42Å; L110-L215 HydrophobicContact CD2-CD1 4.49Å; L110-L215 HydrophobicContact CD2-CD2 3.97Å; L110-M221 HydrophobicContact CB-SD 3.85Å; L110-M221 HydrophobicContact CD1-SD 4.1Å; L110-M221 HydrophobicContact CD2-SD 4.09Å; L110-M221 HydrophobicContact CG-SD 4.23Å |
| 111 | R | 90.3 | Very high | 88.6 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 175 | -171 | -174.3 | -60.2 | 143.7 | 6.6 | 112.2 | Q107 D108 V109 H113 Q114 Q115 | Q107-R111 WeakPolarHBondContact O-CB 3.37Å; Q107-R111 PolarHBondContact O-N 2.77Å; D108-R111 PolarHBondContact O-N 2.93Å; D108-R111 IonicContact OD1-NH1 3.46Å; V109-R111 VanDerWaalsContact C-N 3.32Å; V109-R111 PolarHBondContact O-N 2.8Å; R111-H113 PolarHBondContact O-N 2.88Å; R111-Q114 WeakPolarHBondContact O-CB 3.35Å; R111-Q114 PolarHBondContact O-N 3.42Å; R111-Q115 PolarHBondContact O-N 2.97Å |
| 112 | T | 87.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -32.1 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | D108 V109 Q114 Q115 N116 L117 | D108-T112 WeakPolarHBondContact O-CB 3.49Å; D108-T112 PolarHBondContact O-N 2.82Å; D108-T112 PolarHBondContact O-OG1 2.76Å; V109-T112 PolarHBondContact O-N 3.12Å; T112-Q114 VanDerWaalsContact C-N 3.26Å; T112-Q114 PolarHBondContact O-N 2.83Å; T112-Q115 PolarHBondContact O-N 2.96Å; T112-N116 PolarHBondContact O-N 3.15Å; T112-L117 HydrophobicContact CG2-CB 3.96Å; T112-L117 PolarHBondContact O-N 3.13Å |
| 113 | H | 87.1 | Confident | 88 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | 172.9 | -174.5 | 53.3 | 0 | 0 | 0 | 113.6 | V109 L110 R111 Q115 L117 L119 T216 | V109-H113 PolarHBondContact O-N 2.91Å; L110-H113 WeakPolarHBondContact O-CB 3.36Å; L110-H113 PolarHBondContact O-N 2.89Å; R111-H113 PolarHBondContact O-N 2.88Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 3.15Å; H113-L117 VanDerWaalsContact CA-O 3.26Å; H113-L117 WeakPolarHBondContact CA-O 3.19Å; H113-L117 PolarHBondContact ND1-O 2.81Å; H113-L117 VanDerWaalsContact ND1-O 3.11Å; H113-L119 HydrophobicContact CB-CD1 3.78Å; H113-L119 HydrophobicContact CB-CG 4.12Å; H113-L119 PolarHBondContact ND1-N 3.41Å; H113-T216 PolarHBondContact NE2-O 3.49Å |
| 114 | Q | 84.6 | Confident | 87.7 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.2 | -22.8 | -179.7 | -60.5 | 179.7 | -49.2 | 0 | 0 | 113.5 | R111 T112 G219 M221 | R111-Q114 WeakPolarHBondContact O-CB 3.35Å; R111-Q114 PolarHBondContact O-N 3.42Å; T112-Q114 VanDerWaalsContact C-N 3.26Å; T112-Q114 PolarHBondContact O-N 2.83Å; Q114-G219 VanDerWaalsContact CA-O 3.25Å; Q114-G219 WeakPolarHBondContact CA-O 3.41Å; Q114-M221 HydrophobicContact CG-CB 4.39Å |
| 115 | Q | 81.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 59% | 0.593 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -103.4 | -51.7 | -170.2 | -65.4 | -178.3 | -14.5 | 0 | 0 | 112.6 | R111 T112 H113 | R111-Q115 PolarHBondContact O-N 2.97Å; T112-Q115 PolarHBondContact O-N 2.96Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 3.15Å |
| 116 | N | 69.7 | Low | 87.3 | Confident | 143 Ų | 143 | 59.8 Ų | 59.8 | 77% | 0.765 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | -21.4 | -160.9 | -66.3 | -47.2 | 0 | 0 | 0 | 115.8 | T112 | T112-N116 PolarHBondContact O-N 3.15Š|
| 117 | L | 73.2 | Confident | 87.1 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | trans | -128.4 | 123.6 | -171.8 | -166.4 | 73.8 | 0 | 0 | 0 | 113.1 | T112 H113 L119 A128 | T112-L117 HydrophobicContact CG2-CB 3.96Å; T112-L117 PolarHBondContact O-N 3.13Å; H113-L117 VanDerWaalsContact CA-O 3.26Å; H113-L117 WeakPolarHBondContact CA-O 3.19Å; H113-L117 PolarHBondContact ND1-O 2.81Å; H113-L117 VanDerWaalsContact ND1-O 3.11Å; L117-L119 HydrophobicContact CD2-CD2 4.03Å; L117-L119 PolarHBondContact O-N 3.22Å; L117-A128 HydrophobicContact CD2-CB 4.48Å | ||
| 118 | R | 82.1 | Confident | 87 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | trans | -83.6 | 106.5 | 176.8 | -65.3 | -172.1 | -179.7 | -170.3 | -2.7 | 110.8 | T120 H124 S217 | R118-T120 HydrophobicContact CB-CG2 3.99Å; R118-T120 PolarHBondContact O-N 3.15Å; R118-H124 PolarHBondContact O-ND1 2.88Å; R118-S217 PolarHBondContact NE-O 3.26Å; R118-S217 PolarHBondContact NH1-O 3.15Å | ||
| 119 | L | 84.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -78.3 | 71 | 177.7 | -60.6 | 177.1 | 0 | 0 | 0 | 110.5 | V109 H113 L117 H124 F125 A128 L215 | V109-L119 HydrophobicContact CG1-CD1 3.38Å; V109-L119 HydrophobicContact CG1-CD2 4.31Å; H113-L119 HydrophobicContact CB-CD1 3.78Å; H113-L119 HydrophobicContact CB-CG 4.12Å; H113-L119 PolarHBondContact ND1-N 3.41Å; L117-L119 HydrophobicContact CD2-CD2 4.03Å; L117-L119 PolarHBondContact O-N 3.22Å; L119-H124 HydrophobicContact CD2-CB 4.13Å; L119-F125 HydrophobicContact CB-CD2 4.04Å; L119-F125 HydrophobicContact CB-CE1 4.36Å; L119-F125 HydrophobicContact CB-CE2 3.55Å; L119-F125 HydrophobicContact CB-CZ 3.75Å; L119-F125 HydrophobicContact CD1-CD1 4.23Å; L119-F125 HydrophobicContact CD1-CE1 3.74Å; L119-F125 HydrophobicContact CD1-CE2 4.43Å; L119-F125 HydrophobicContact CD1-CZ 3.87Å; L119-F125 HydrophobicContact CG-CZ 4.4Å; L119-A128 HydrophobicContact CD2-CB 4.06Å; L119-L215 HydrophobicContact CB-CD1 4.02Å; L119-L215 HydrophobicContact CD1-CD1 3.92Å | ||
| 120 | T | 85.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | trans | -100.8 | -8.2 | -175.2 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | R118 R184 V190 | R118-T120 HydrophobicContact CB-CG2 3.99Å; R118-T120 PolarHBondContact O-N 3.15Å; T120-R184 VanDerWaalsContact O-CZ 3.32Å; T120-R184 PolarHBondContact O-NE 3.46Å; T120-V190 HydrophobicContact CG2-CB 4.04Å; T120-V190 HydrophobicContact CG2-CG1 4.13Å; T120-V190 HydrophobicContact CG2-CG2 4.13Å | ||
| 121 | S | 88.6 | Confident | 86.6 | Confident | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -135.8 | 156.2 | -175.1 | 80 | 0 | 0 | 0 | 0 | 111.5 | Q123 H124 F125 | S121-Q123 PolarHBondContact O-N 3.46Å; S121-H124 PolarHBondContact O-N 3.31Å; S121-H124 PolarHBondContact OG-CD2 3.23Å; S121-H124 PolarHBondContact OG-N 3.27Å; S121-H124 PolarHBondContact OG-ND1 3.07Å; S121-F125 PolarHBondContact O-N 3.31Å |
| 122 | P | 89.8 | Confident | 86.8 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.9 | -38.3 | 174.6 | -23.9 | 33.2 | 0 | 0 | 0 | 112.9 | V94 F125 L126 T177 | V94-P122 HydrophobicContact CB-CG 3.74Å; V94-P122 HydrophobicContact CG1-CB 4.32Å; V94-P122 HydrophobicContact CG1-CG 3.67Å; V94-P122 HydrophobicContact CG2-CG 4.22Å; P122-F125 PolarHBondContact O-N 3.49Å; P122-L126 PolarHBondContact O-N 3.3Å; P122-T177 VanDerWaalsContact CD-OG1 3.25Å; P122-T177 WeakPolarHBondContact CD-OG1 3.39Å; P122-T177 VanDerWaalsContact CG-OG1 3.3Å; P122-T177 WeakPolarHBondContact CG-OG1 3.48Å |
| 123 | Q | 90 | Very high | 87.2 | Confident | 138 Ų | 138 | 70.8 Ų | 70.8 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | -178.8 | -68.6 | 174.3 | -12.3 | 0 | 0 | 111.4 | S121 F125 L126 E127 | S121-Q123 PolarHBondContact O-N 3.46Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.16Å; Q123-L126 PolarHBondContact O-N 2.79Å; Q123-L126 VanDerWaalsContact O-N 3.13Å; Q123-E127 WeakPolarHBondContact O-CG 3.15Å; Q123-E127 PolarHBondContact O-N 3.42Å |
| 124 | H | 89.9 | Confident | 87.5 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 176.8 | -62 | 166.4 | 0 | 0 | 0 | 111.6 | R118 L119 S121 A128 | R118-H124 PolarHBondContact O-ND1 2.88Å; L119-H124 HydrophobicContact CD2-CB 4.13Å; S121-H124 PolarHBondContact O-N 3.31Å; S121-H124 PolarHBondContact OG-CD2 3.23Å; S121-H124 PolarHBondContact OG-N 3.27Å; S121-H124 PolarHBondContact OG-ND1 3.07Å; H124-A128 WeakPolarHBondContact O-CB 3.03Å; H124-A128 PolarHBondContact O-N 2.85Å |
| 125 | F | 90.6 | Very high | 88 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.7 | -88.4 | -83.3 | 0 | 0 | 0 | 112.4 | V109 L119 S121 P122 Q123 A128 L129 V175 T177 A191 V193 L215 | V109-F125 HydrophobicContact CG1-CD1 4.13Å; V109-F125 HydrophobicContact CG1-CE1 4.24Å; L119-F125 HydrophobicContact CB-CD2 4.04Å; L119-F125 HydrophobicContact CB-CE1 4.36Å; L119-F125 HydrophobicContact CB-CE2 3.55Å; L119-F125 HydrophobicContact CB-CZ 3.75Å; L119-F125 HydrophobicContact CD1-CD1 4.23Å; L119-F125 HydrophobicContact CD1-CE1 3.74Å; L119-F125 HydrophobicContact CD1-CE2 4.43Å; L119-F125 HydrophobicContact CD1-CZ 3.87Å; L119-F125 HydrophobicContact CG-CZ 4.4Å; S121-F125 PolarHBondContact O-N 3.31Å; P122-F125 PolarHBondContact O-N 3.49Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.16Å; F125-A128 PolarHBondContact O-N 3.18Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.45Å; F125-L129 PolarHBondContact O-N 2.88Å; F125-V175 HydrophobicContact CD1-CG1 4.15Å; F125-V175 HydrophobicContact CD1-CG2 4.26Å; F125-V175 HydrophobicContact CD2-CG1 3.77Å; F125-V175 HydrophobicContact CE1-CG1 3.97Å; F125-V175 HydrophobicContact CE1-CG2 4.29Å; F125-V175 HydrophobicContact CE2-CG1 3.56Å; F125-V175 HydrophobicContact CG-CG1 4.04Å; F125-V175 HydrophobicContact CZ-CG1 3.66Å; F125-T177 HydrophobicContact CD2-CG2 4.21Å; F125-T177 HydrophobicContact CE2-CG2 4.02Å; F125-A191 HydrophobicContact CE2-CB 3.8Å; F125-A191 HydrophobicContact CZ-CB 4.01Å; F125-V193 HydrophobicContact CE1-CG2 3.69Å; F125-V193 HydrophobicContact CZ-CG2 3.61Å; F125-L215 HydrophobicContact CE1-CD1 4.33Å; F125-L215 HydrophobicContact CE2-CD1 4.43Å; F125-L215 HydrophobicContact CZ-CD1 3.58Å |
| 126 | L | 91.7 | Very high | 88.6 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | -178.1 | -158.4 | 144.4 | 0 | 0 | 0 | 111.9 | F98 P122 Q123 H136 | F98-L126 HydrophobicContact CE1-CG 4.46Å; P122-L126 PolarHBondContact O-N 3.3Å; Q123-L126 PolarHBondContact O-N 2.79Å; Q123-L126 VanDerWaalsContact O-N 3.13Å; L126-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L126-H136 WeakPolarHBondContact CD1-ND1 3.46Å |
| 127 | E | 91.4 | Very high | 89.9 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 58% | 0.579 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.3 | -47.2 | 173.1 | -71.7 | 174.8 | -175.1 | 0 | 0 | 111.6 | Q123 L129 H130 | Q123-E127 WeakPolarHBondContact O-CG 3.15Å; Q123-E127 PolarHBondContact O-N 3.42Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.75Å; E127-H130 PolarHBondContact O-N 3.27Å; E127-H130 PolarHBondContact O-ND1 2.58Å |
| 128 | A | 90.5 | Very high | 90.9 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -30.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V109 L117 L119 H124 F125 H130 | V109-A128 HydrophobicContact CB-CB 4.47Å; V109-A128 HydrophobicContact CG1-CB 4.06Å; V109-A128 VanDerWaalsContact CG2-C 3.42Å; V109-A128 HydrophobicContact CG2-CB 3.72Å; V109-A128 VanDerWaalsContact CG2-O 3.24Å; V109-A128 WeakPolarHBondContact CG2-O 3.31Å; L117-A128 HydrophobicContact CD2-CB 4.48Å; L119-A128 HydrophobicContact CD2-CB 4.06Å; H124-A128 WeakPolarHBondContact O-CB 3.03Å; H124-A128 PolarHBondContact O-N 2.85Å; F125-A128 PolarHBondContact O-N 3.18Å; A128-H130 PolarHBondContact O-CD2 3.16Å; A128-H130 PolarHBondContact O-N 3.05Å |
| 129 | L | 92 | Very high | 91.6 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.1 | 174 | -75.8 | 171.8 | 0 | 0 | 0 | 113.3 | F98 A105 V109 F125 E127 H131 R132 F133 | F98-L129 HydrophobicContact CD1-CD1 3.71Å; F98-L129 HydrophobicContact CD2-CD1 4.18Å; F98-L129 HydrophobicContact CE1-CD1 3.73Å; F98-L129 HydrophobicContact CE2-CD1 4.2Å; F98-L129 HydrophobicContact CG-CD1 3.95Å; F98-L129 HydrophobicContact CZ-CD1 3.99Å; A105-L129 HydrophobicContact CB-CD2 4.35Å; V109-L129 HydrophobicContact CG2-CD2 3.87Å; V109-L129 HydrophobicContact CG2-CG 4.15Å; F125-L129 WeakPolarHBondContact O-CB 3.49Å; F125-L129 WeakPolarHBondContact O-CG 3.45Å; F125-L129 PolarHBondContact O-N 2.88Å; E127-L129 VanDerWaalsContact C-N 3.3Å; E127-L129 PolarHBondContact O-N 2.75Å; L129-H131 PolarHBondContact O-N 3.44Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 3.46Å; L129-F133 HydrophobicContact CB-CD1 4.21Å; L129-F133 HydrophobicContact CB-CE1 4.41Å; L129-F133 HydrophobicContact CD1-CD1 4.34Å |
| 130 | H | 89 | Confident | 92 | Very high | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.685 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 37.6 | 178.2 | -63.9 | -65.7 | 0 | 0 | 0 | 114.2 | E127 A128 R132 | E127-H130 PolarHBondContact O-N 3.27Å; E127-H130 PolarHBondContact O-ND1 2.58Å; A128-H130 PolarHBondContact O-CD2 3.16Å; A128-H130 PolarHBondContact O-N 3.05Å; H130-R132 PolarHBondContact O-N 2.8Å |
| 131 | H | 89.4 | Confident | 92.4 | Very high | 139 Ų | 139 | 63.3 Ų | 63.3 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 24.4 | -178.1 | -54.5 | -7.9 | 0 | 0 | 0 | 114.5 | L129 F133 | L129-H131 PolarHBondContact O-N 3.44Å; H131-F133 PolarHBondContact O-N 2.99Å |
| 132 | R | 95 | Very high | 92.3 | Very high | 99 Ų | 99 | 67.4 Ų | 67.4 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -83.6 | 53.4 | 175.6 | -59.7 | 174.3 | 72.3 | 172.2 | 4.1 | 111.4 | E102 A105 L129 H130 | E102-R132 HydrophobicContact CB-CB 4.22Å; E102-R132 PolarHBondContact N-O 2.7Å; E102-R132 IonicContact OE1-CZ 3.6Å; E102-R132 IonicContact OE1-NH2 2.73Å; E102-R132 PolarHBondContact OE1-NH2 2.8Å; E102-R132 IonicContact OE2-CZ 2.87Å; E102-R132 IonicContact OE2-NE 2.66Å; E102-R132 PolarHBondContact OE2-NE 3.49Å; E102-R132 IonicContact OE2-NH2 2.77Å; E102-R132 PolarHBondContact OE2-NH2 3.22Å; A105-R132 HydrophobicContact CB-CB 3.75Å; A105-R132 HydrophobicContact CB-CG 4.36Å; L129-R132 VanDerWaalsContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CB 3.31Å; L129-R132 WeakPolarHBondContact O-CG 3.45Å; L129-R132 PolarHBondContact O-N 3.46Å; H130-R132 PolarHBondContact O-N 2.8Å | ||
| 133 | F | 94.8 | Very high | 91.7 | Very high | 39 Ų | 39 | 69 Ų | 69 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -149.3 | 164.2 | 176.7 | 58.3 | -99.1 | 0 | 0 | 0 | 109.5 | F98 L129 H131 H136 | F98-F133 AromaticContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD1 3.86Å; F98-F133 HydrophobicContact CD1-CD2 4.41Å; F98-F133 AromaticContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CE1 4Å; F98-F133 HydrophobicContact CD1-CG 4.07Å; F98-F133 HydrophobicContact CD1-CZ 4.37Å; F98-F133 HydrophobicContact CE1-CD1 4.39Å; F98-F133 HydrophobicContact CE1-CE1 4.12Å; F98-F133 HydrophobicContact CE1-CZ 4.46Å; L129-F133 HydrophobicContact CB-CD1 4.21Å; L129-F133 HydrophobicContact CB-CE1 4.41Å; L129-F133 HydrophobicContact CD1-CD1 4.34Å; H131-F133 PolarHBondContact O-N 2.99Å; F133-H136 HydrophobicContact CD2-CB 4.02Å; F133-H136 HydrophobicContact CE2-CB 3.4Å; F133-H136 VanDerWaalsContact CE2-CB 3.4Å; F133-H136 HydrophobicContact CZ-CB 3.91Å |
| 134 | H | 93.8 | Very high | 91 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 37% | 0.366 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -92.3 | -40.1 | -178.1 | -65.1 | -40.1 | 0 | 0 | 0 | 113.6 | W99 Q157 I159 | W99-H134 PolarHBondContact O-N 2.84Å; H134-Q157 PolarHBondContact O-NE2 2.92Å; H134-Q157 PolarHBondContact O-OE1 3.46Å; H134-I159 HydrophobicContact CB-CD1 3.62Å |
| 135 | Y | 94.5 | Very high | 90.1 | Very high | 59 Ų | 59 | 70.7 Ų | 70.7 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.5 | -179.9 | 176.9 | -110.1 | 0 | 0 | 0 | 111 | W99 Q137 C152 P154 | W99-Y135 AromaticContact CD1-CD1 3.75Å; W99-Y135 HydrophobicContact CG-CD1 4.42Å; W99-Y135 PolarHBondContact N-O 2.99Å; W99-Y135 PolarHBondContact O-N 3.24Å; Y135-Q137 HydrophobicContact CE1-CB 3.82Å; Y135-C152 WeakPolarHBondContact CE1-O 3.47Å; Y135-P154 HydrophobicContact CD1-CG 4.47Å; Y135-P154 HydrophobicContact CD2-CG 3.7Å; Y135-P154 HydrophobicContact CE1-CG 4.23Å; Y135-P154 HydrophobicContact CE2-CG 3.42Å; Y135-P154 VanDerWaalsContact CE2-CG 3.42Å; Y135-P154 HydrophobicContact CG-CG 4.22Å |
| 136 | H | 95.3 | Very high | 89.1 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.6 | -178.8 | 166.8 | -105.4 | 0 | 0 | 0 | 110.6 | C97 F98 L126 F133 T138 | C97-H136 WeakPolarHBondContact O-CA 3.34Å; F98-H136 HydrophobicContact CD1-CB 4.17Å; F98-H136 AromaticContact CD1-CD2 3.54Å; F98-H136 HydrophobicContact CE1-CB 4.39Å; F98-H136 AromaticContact CE1-CD2 3.18Å; F98-H136 WeakPolarHBondContact CE1-CD2 3.41Å; F98-H136 AromaticContact CE1-CG 3.91Å; F98-H136 AromaticContact CE1-NE2 3.8Å; F98-H136 AromaticContact CZ-CD2 3.6Å; F98-H136 AromaticContact CZ-NE2 3.83Å; L126-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L126-H136 WeakPolarHBondContact CD1-ND1 3.46Å; F133-H136 HydrophobicContact CD2-CB 4.02Å; F133-H136 HydrophobicContact CE2-CB 3.4Å; F133-H136 VanDerWaalsContact CE2-CB 3.4Å; F133-H136 HydrophobicContact CZ-CB 3.91Å; H136-T138 WeakPolarHBondContact CE1-CG2 3.33Å; H136-T138 VanDerWaalsContact NE2-CG2 3.31Å; H136-T138 WeakPolarHBondContact NE2-CG2 3.28Å |
| 137 | Q | 95.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 23% | 0.229 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 141.3 | 178.6 | -173 | 178.1 | 19.2 | 0 | 0 | 110 | C97 Y135 F139 T151 | C97-Q137 PolarHBondContact N-O 3.14Å; C97-Q137 PolarHBondContact O-N 3.39Å; Y135-Q137 HydrophobicContact CE1-CB 3.82Å; Q137-F139 HydrophobicContact CB-CE2 4.44Å; Q137-F139 HydrophobicContact CG-CE1 4.47Å; Q137-F139 HydrophobicContact CG-CE2 3.81Å; Q137-F139 HydrophobicContact CG-CZ 3.74Å; Q137-F139 VanDerWaalsContact NE2-CZ 3.29Å; Q137-T151 PolarHBondContact OE1-OG1 3.22Å |
| 138 | T | 96.1 | Very high | 88.8 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.3 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | L95 H136 | L95-T138 CarbonylContact O-C 3.57Å; L95-T138 VanDerWaalsContact O-CA 3.24Å; L95-T138 WeakPolarHBondContact O-CA 3.47Å; H136-T138 WeakPolarHBondContact CE1-CG2 3.33Å; H136-T138 VanDerWaalsContact NE2-CG2 3.31Å; H136-T138 WeakPolarHBondContact NE2-CG2 3.28Å |
| 139 | F | 94.8 | Very high | 88.9 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.5 | 172.8 | -54.7 | -90.4 | 0 | 0 | 0 | 109.7 | V94 L95 Q137 I141 C149 H150 | V94-F139 WeakPolarHBondContact CA-O 3.32Å; L95-F139 HydrophobicContact CB-CB 4.31Å; L95-F139 HydrophobicContact CD2-CD2 4.15Å; L95-F139 HydrophobicContact CG-CD2 4.34Å; L95-F139 PolarHBondContact N-O 3.24Å; L95-F139 PolarHBondContact O-N 2.77Å; Q137-F139 HydrophobicContact CB-CE2 4.44Å; Q137-F139 HydrophobicContact CG-CE1 4.47Å; Q137-F139 HydrophobicContact CG-CE2 3.81Å; Q137-F139 HydrophobicContact CG-CZ 3.74Å; Q137-F139 VanDerWaalsContact NE2-CZ 3.29Å; F139-I141 HydrophobicContact CB-CD1 3.91Å; F139-C149 HydrophobicContact CD1-CB 4.25Å; F139-C149 HydrophobicContact CD2-CB 4.27Å; F139-C149 HydrophobicContact CE1-CB 4.43Å; F139-C149 HydrophobicContact CE2-CB 4.46Å; F139-C149 HydrophobicContact CG-CB 4.16Å; F139-H150 WeakPolarHBondContact CZ-O 3.4Å |
| 140 | Y | 94.1 | Very high | 89 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.4 | 169.7 | -166.8 | -86.8 | 0 | 0 | 0 | 108.5 | P92 V94 H142 A179 | P92-Y140 HydrophobicContact CB-CE1 4.35Å; V94-Y140 HydrophobicContact CG2-CD2 4.23Å; Y140-H142 AromaticContact CD1-CD2 3.91Å; Y140-H142 AromaticContact CD1-CE1 3.74Å; Y140-H142 AromaticContact CD1-NE2 3.52Å; Y140-H142 AromaticContact CE1-CE1 3.4Å; Y140-H142 WeakPolarHBondContact CE1-CE1 3.33Å; Y140-H142 AromaticContact CE1-ND1 3.69Å; Y140-H142 AromaticContact CE1-NE2 3.7Å; Y140-A179 HydrophobicContact CD2-CB 4.45Å; Y140-A179 HydrophobicContact CE2-CB 3.56Å |
| 141 | I | 92.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.4 | -176.2 | -49.6 | -52.6 | 0 | 0 | 0 | 108 | P87 P92 C93 L95 F139 C149 | P87-I141 HydrophobicContact CB-CD1 4.41Å; P87-I141 HydrophobicContact CB-CG1 4.19Å; P87-I141 HydrophobicContact CB-CG2 4.01Å; P87-I141 HydrophobicContact CG-CD1 3.62Å; P87-I141 HydrophobicContact CG-CG1 3.93Å; P87-I141 HydrophobicContact CG-CG2 3.87Å; P92-I141 CarbonylContact C-O 3.57Å; P92-I141 VanDerWaalsContact CA-O 3.28Å; P92-I141 WeakPolarHBondContact CA-O 3.46Å; C93-I141 HydrophobicContact CB-CB 4.43Å; C93-I141 PolarHBondContact N-O 2.91Å; C93-I141 PolarHBondContact O-N 3.2Å; L95-I141 HydrophobicContact CB-CD1 4.29Å; L95-I141 HydrophobicContact CB-CG1 4.03Å; F139-I141 HydrophobicContact CB-CD1 3.91Å; I141-C149 WeakPolarHBondContact CD1-SG 3.36Å |
| 142 | H | 87.3 | Confident | 89.4 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | trans | -83.4 | 148.8 | 169.1 | -64 | -86.3 | 0 | 0 | 0 | 109.8 | Y140 E144 D145 | Y140-H142 AromaticContact CD1-CD2 3.91Å; Y140-H142 AromaticContact CD1-CE1 3.74Å; Y140-H142 AromaticContact CD1-NE2 3.52Å; Y140-H142 AromaticContact CE1-CE1 3.4Å; Y140-H142 WeakPolarHBondContact CE1-CE1 3.33Å; Y140-H142 AromaticContact CE1-ND1 3.69Å; Y140-H142 AromaticContact CE1-NE2 3.7Å; H142-E144 PolarHBondContact O-N 2.79Å; H142-D145 HydrophobicContact CB-CB 4.17Å; H142-D145 IonicContact CD2-OD2 3.61Å; H142-D145 PolarHBondContact CD2-OD2 3.07Å; H142-D145 IonicContact CG-OD2 3.69Å; H142-D145 PolarHBondContact O-N 3.02Å; H142-D145 VanDerWaalsContact O-N 3.15Å | ||
| 143 | S | 76.9 | Confident | 89.3 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.2 | -179.7 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | L90 | L90-S143 WeakPolarHBondContact O-CB 3.41Š|
| 144 | E | 75.5 | Confident | 89 | Confident | 185 Ų | 185 | 67.6 Ų | 67.6 | 86% | 0.864 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -8.8 | 179 | -59.4 | -178.5 | 175.6 | 0 | 0 | 113.5 | H142 E146 | H142-E144 PolarHBondContact O-N 2.79Å; E144-E146 PolarHBondContact O-N 3.44Å |
| 145 | D | 70.3 | Confident | 88.5 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | trans | -88 | 106.5 | -175.3 | -89.4 | -34.5 | 0 | 0 | 0 | 111.1 | H142 K147 | H142-D145 HydrophobicContact CB-CB 4.17Å; H142-D145 IonicContact CD2-OD2 3.61Å; H142-D145 PolarHBondContact CD2-OD2 3.07Å; H142-D145 IonicContact CG-OD2 3.69Å; H142-D145 PolarHBondContact O-N 3.02Å; H142-D145 VanDerWaalsContact O-N 3.15Å; D145-K147 HydrophobicContact CB-CG 4.48Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 3.16Å; D145-K147 IonicContact OD2-NZ 3.53Å | ||
| 146 | E | 71.5 | Confident | 88 | Confident | 140 Ų | 140 | 71.7 Ų | 71.7 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | trans | -78.6 | 17.3 | 167.1 | -78.8 | -156.8 | -150.4 | 0 | 0 | 113.7 | K86 E144 E148 | K86-E146 IonicContact NZ-OE2 2.74Å; K86-E146 PolarHBondContact NZ-OE2 3.04Å; E144-E146 PolarHBondContact O-N 3.44Å; E146-E148 PolarHBondContact O-N 3.03Å | ||
| 147 | K | 84 | Confident | 87.4 | Confident | 136 Ų | 136 | 72.6 Ų | 72.6 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 131.6 | -173.1 | -67.4 | -176.4 | -176.4 | 115.1 | 0 | 111.5 | D145 | D145-K147 HydrophobicContact CB-CG 4.48Å; D145-K147 PolarHBondContact O-N 3.15Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 3.16Å; D145-K147 IonicContact OD2-NZ 3.53Å |
| 148 | E | 91.2 | Very high | 86.9 | Confident | 87 Ų | 87 | 81 Ų | 81 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 134.5 | 169.7 | -61.8 | -170.2 | 159.9 | 0 | 0 | 110.5 | L84 L85 K86 E146 | L84-E148 HydrophobicContact CD2-CB 4.24Å; L85-E148 CarbonylContact O-C 3.53Å; L85-E148 WeakPolarHBondContact O-CA 3.4Å; K86-E148 HydrophobicContact CB-CG 4.26Å; K86-E148 HydrophobicContact CG-CG 4.41Å; E146-E148 PolarHBondContact O-N 3.03Å |
| 149 | C | 92.5 | Very high | 86.5 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 10% | 0.095 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.8 | 175.8 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | L85 L95 F139 I141 | L85-C149 PolarHBondContact N-O 2.86Å; L85-C149 PolarHBondContact O-N 3.42Å; L95-C149 HydrophobicContact CD2-CB 4.15Å; F139-C149 HydrophobicContact CD1-CB 4.25Å; F139-C149 HydrophobicContact CD2-CB 4.27Å; F139-C149 HydrophobicContact CE1-CB 4.43Å; F139-C149 HydrophobicContact CE2-CB 4.46Å; F139-C149 HydrophobicContact CG-CB 4.16Å; I141-C149 WeakPolarHBondContact CD1-SG 3.36Å |
| 150 | H | 94.3 | Very high | 86.2 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 40% | 0.398 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.2 | 173 | -176.2 | -110.4 | 0 | 0 | 0 | 110.4 | D81 L84 F139 | D81-H150 PolarHBondContact O-CE1 2.81Å; D81-H150 VanDerWaalsContact O-CE1 3.27Å; D81-H150 PolarHBondContact O-NE2 3.02Å; L84-H150 HydrophobicContact CD2-CB 3.64Å; F139-H150 WeakPolarHBondContact CZ-O 3.4Å |
| 151 | T | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.3 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 110 | G82 V83 L85 C97 W99 Q137 L172 | G82-T151 CarbonylContact C-O 3.57Å; G82-T151 WeakPolarHBondContact CA-O 3.23Å; V83-T151 PolarHBondContact N-O 3.43Å; V83-T151 PolarHBondContact O-N 2.94Å; L85-T151 HydrophobicContact CD1-CG2 3.98Å; L85-T151 HydrophobicContact CG-CG2 4.44Å; C97-T151 HydrophobicContact CB-CG2 4.2Å; W99-T151 HydrophobicContact CZ2-CG2 4.01Å; W99-T151 WeakPolarHBondContact CZ2-O 3.34Å; W99-T151 PolarHBondContact NE1-OG1 2.95Å; Q137-T151 PolarHBondContact OE1-OG1 3.22Å; T151-L172 HydrophobicContact CG2-CD2 4.3Å |
| 152 | C | 93.6 | Very high | 86 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 29% | 0.291 | 40% | 0.402 | S | S | . | . | trans | -145.8 | 154.7 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | Y135 | Y135-C152 WeakPolarHBondContact CE1-O 3.47Š| ||
| 153 | I | 91.6 | Very high | 86.2 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | trans | -75 | 131.2 | 169.7 | -56.6 | -177.7 | 0 | 0 | 0 | 107.9 | V79 W99 A155 Q157 I159 F162 | V79-I153 HydrophobicContact CG1-CD1 4.1Å; W99-I153 HydrophobicContact CB-CD1 3.91Å; W99-I153 HydrophobicContact CB-CG1 3.74Å; W99-I153 HydrophobicContact CD2-CD1 4.02Å; W99-I153 HydrophobicContact CD2-CG1 3.49Å; W99-I153 VanDerWaalsContact CD2-CG1 3.49Å; W99-I153 HydrophobicContact CE3-CD1 3.66Å; W99-I153 HydrophobicContact CE3-CG1 3.58Å; W99-I153 HydrophobicContact CG-CD1 4.17Å; W99-I153 HydrophobicContact CG-CG1 3.59Å; W99-I153 HydrophobicContact CZ3-CD1 4.42Å; W99-I153 HydrophobicContact CZ3-CG1 4.3Å; I153-A155 PolarHBondContact O-N 3.45Å; I153-Q157 HydrophobicContact CG2-CB 3.97Å; I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 VanDerWaalsContact CG2-OE1 3.27Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.44Å; I153-I159 HydrophobicContact CD1-CG2 4.37Å; I153-I159 HydrophobicContact CG2-CD1 4.43Å; I153-F162 HydrophobicContact CD1-CE1 4.49Å; I153-F162 HydrophobicContact CD1-CZ 3.94Å | ||
| 154 | P | 89.8 | Confident | 86.8 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 24% | 0.24 | 40% | 0.397 | C | S | . | . | trans | -53.6 | 135.7 | 173.1 | -30.5 | 39 | 0 | 0 | 0 | 112.8 | Y135 D156 Q157 | Y135-P154 HydrophobicContact CD1-CG 4.47Å; Y135-P154 HydrophobicContact CD2-CG 3.7Å; Y135-P154 HydrophobicContact CE1-CG 4.23Å; Y135-P154 HydrophobicContact CE2-CG 3.42Å; Y135-P154 VanDerWaalsContact CE2-CG 3.42Å; Y135-P154 HydrophobicContact CG-CG 4.22Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 3.09Å; P154-D156 VanDerWaalsContact O-N 3.12Å; P154-Q157 PolarHBondContact O-N 3.03Å; P154-Q157 VanDerWaalsContact O-N 3.1Å | ||
| 155 | A | 83.1 | Confident | 87.4 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 79% | 0.793 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I153 Q157 R158 | I153-A155 PolarHBondContact O-N 3.45Å; A155-Q157 VanDerWaalsContact C-N 3.3Å; A155-Q157 PolarHBondContact O-N 3.44Å; A155-R158 PolarHBondContact O-N 2.98Å |
| 156 | D | 84.1 | Confident | 88.3 | Confident | 128 Ų | 128 | 76.5 Ų | 76.5 | 68% | 0.684 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -68.1 | -24.8 | 176.3 | 61.3 | -42.9 | 0 | 0 | 0 | 113.3 | P154 R158 | P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 3.09Å; P154-D156 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.3Å |
| 157 | Q | 82.3 | Confident | 89.3 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -74.8 | -16.1 | 178.3 | -64 | -166 | -7.4 | 0 | 0 | 113.7 | H134 I153 P154 A155 I159 | H134-Q157 PolarHBondContact O-NE2 2.92Å; H134-Q157 PolarHBondContact O-OE1 3.46Å; I153-Q157 HydrophobicContact CG2-CB 3.97Å; I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 VanDerWaalsContact CG2-OE1 3.27Å; P154-Q157 PolarHBondContact O-N 3.03Å; P154-Q157 VanDerWaalsContact O-N 3.1Å; A155-Q157 VanDerWaalsContact C-N 3.3Å; A155-Q157 PolarHBondContact O-N 3.44Å; Q157-I159 HydrophobicContact CB-CD1 4.2Å; Q157-I159 HydrophobicContact CB-CG1 4.17Å; Q157-I159 PolarHBondContact O-N 3.48Å; Q157-I159 VanDerWaalsContact O-N 3.08Å |
| 158 | R | 83.6 | Confident | 89.8 | Confident | 224 Ų | 224 | 72.9 Ų | 72.9 | 85% | 0.845 | 39% | 0.391 | S | S | * | . | trans | 50.6 | 30.8 | 177.4 | -59.8 | -176.8 | 178.5 | 177.7 | 0.1 | 115 | A155 D156 | A155-R158 PolarHBondContact O-N 2.98Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 3.3Å | ||
| 159 | I | 88.4 | Confident | 90 | Very high | 41 Ų | 41 | 71 Ų | 71 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | trans | -81.8 | 119.2 | 177 | -60 | 174.2 | 0 | 0 | 0 | 108.8 | V79 H134 I153 Q157 F162 | V79-I159 WeakPolarHBondContact CG1-O 3.39Å; H134-I159 HydrophobicContact CB-CD1 3.62Å; I153-I159 HydrophobicContact CD1-CB 4.39Å; I153-I159 HydrophobicContact CD1-CD1 4.44Å; I153-I159 HydrophobicContact CD1-CG2 4.37Å; I153-I159 HydrophobicContact CG2-CD1 4.43Å; Q157-I159 HydrophobicContact CB-CD1 4.2Å; Q157-I159 HydrophobicContact CB-CG1 4.17Å; Q157-I159 PolarHBondContact O-N 3.48Å; Q157-I159 VanDerWaalsContact O-N 3.08Å; I159-F162 HydrophobicContact CG2-CE1 4.23Å; I159-F162 HydrophobicContact CG2-CZ 4.4Å | ||
| 160 | T | 87.9 | Confident | 90.2 | Very high | 96 Ų | 96 | 72 Ų | 72 | 59% | 0.589 | 38% | 0.384 | S | S | * | . | trans | -109.8 | -20.4 | -179.8 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | G201 | T160-G201 PolarHBondContact O-N 2.98Å; T160-G201 VanDerWaalsContact O-N 3.11Å | ||
| 161 | D | 92.2 | Very high | 90.2 | Very high | 42 Ų | 42 | 68 Ų | 68 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | trans | -158.6 | 165.7 | 179 | 72.4 | 84.4 | 0 | 0 | 0 | 111.9 | G163 D200 K202 | D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.46Å; D161-D200 HydrophobicContact CB-CB 4.34Å; D161-K202 HydrophobicContact CB-CB 4.33Å; D161-K202 HydrophobicContact CB-CD 4.16Å; D161-K202 HydrophobicContact CB-CG 4.04Å; D161-K202 WeakPolarHBondContact OD1-CD 3.06Å; D161-K202 VanDerWaalsContact OD1-CE 3.32Å; D161-K202 WeakPolarHBondContact OD1-CE 3.4Å; D161-K202 IonicContact OD1-NZ 2.71Å; D161-K202 PolarHBondContact OD1-NZ 3.45Å; D161-K202 WeakPolarHBondContact OD2-CE 3.18Å; D161-K202 IonicContact OD2-NZ 3.11Å; D161-K202 PolarHBondContact OD2-NZ 2.92Å | ||
| 162 | F | 92.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.057 | 37% | 0.366 | C | S | . | . | trans | -110.1 | 28.4 | 178.3 | -56.8 | -88.2 | 0 | 0 | 0 | 114 | V79 W99 I153 I159 H169 P171 D200 | V79-F162 HydrophobicContact CG1-CE2 4.38Å; V79-F162 HydrophobicContact CG2-CD2 4.41Å; V79-F162 HydrophobicContact CG2-CE2 3.6Å; V79-F162 HydrophobicContact CG2-CZ 4.43Å; W99-F162 HydrophobicContact CE3-CZ 4.3Å; I153-F162 HydrophobicContact CD1-CE1 4.49Å; I153-F162 HydrophobicContact CD1-CZ 3.94Å; I159-F162 HydrophobicContact CG2-CE1 4.23Å; I159-F162 HydrophobicContact CG2-CZ 4.4Å; F162-H169 HydrophobicContact CB-CB 4.36Å; F162-H169 HydrophobicContact CD1-CB 4.11Å; F162-P171 HydrophobicContact CD2-CB 3.85Å; F162-P171 HydrophobicContact CD2-CG 3.81Å; F162-P171 VanDerWaalsContact CE2-CA 3.47Å; F162-P171 HydrophobicContact CE2-CB 3.53Å; F162-P171 HydrophobicContact CE2-CG 4.04Å; F162-P171 HydrophobicContact CZ-CB 4.17Å; F162-D200 PolarHBondContact N-OD2 3.31Å | ||
| 163 | G | 89.6 | Confident | 90.6 | Very high | 16 Ų | 16 | 66 Ų | 66 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | trans | 84.6 | 179.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D161 | D161-G163 WeakPolarHBondContact OD1-CA 3.44Å; D161-G163 PolarHBondContact OD1-N 3.46Å | ||
| 164 | P | 90.3 | Very high | 90.9 | Very high | 90 Ų | 90 | 65.5 Ų | 65.5 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -75.3 | 166.2 | -179.3 | 32.9 | -35.8 | 0 | 0 | 0 | 112.7 | P166 R167 | P164-P166 CarbonylContact O-C 3.59Å; P164-P166 VanDerWaalsContact O-C 3.31Å; P164-R167 WeakPolarHBondContact O-CA 3.2Å; P164-R167 PolarHBondContact O-N 2.91Å |
| 165 | L | 87.7 | Confident | 91.2 | Very high | 112 Ų | 112 | 63.9 Ų | 63.9 | 59% | 0.586 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -76.4 | 143.1 | 169.3 | -71 | 169.6 | 0 | 0 | 0 | 111.8 | R167 Y203 | L165-R167 HydrophobicContact CD2-CG 4.1Å; L165-Y203 HydrophobicContact CD1-CD1 4.13Å; L165-Y203 HydrophobicContact CD1-CE1 3.35Å; L165-Y203 HydrophobicContact CG-CD1 4.49Å; L165-Y203 HydrophobicContact CG-CE1 3.65Å; L165-Y203 HydrophobicContact CG-CE2 4.28Å; L165-Y203 WeakPolarHBondContact CG-OH 3.26Å; L165-Y203 PolarHBondContact N-OH 3.35Å |
| 166 | P | 90.4 | Very high | 91.8 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 81% | 0.812 | 30% | 0.301 | S | S | * | . | S | Bend | cis | -68 | 131.7 | -10 | 28.4 | -33.3 | 0 | 0 | 0 | 111.3 | P164 | P164-P166 CarbonylContact O-C 3.59Å; P164-P166 VanDerWaalsContact O-C 3.31Å |
| 167 | R | 91.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 142.5 | -175.1 | -76.1 | 177.1 | -178.2 | -127.1 | 1 | 111 | P164 L165 D200 Y203 | P164-R167 WeakPolarHBondContact O-CA 3.2Å; P164-R167 PolarHBondContact O-N 2.91Å; L165-R167 HydrophobicContact CD2-CG 4.1Å; R167-D200 IonicContact CZ-OD2 3.76Å; R167-D200 IonicContact NH1-OD2 3.39Å; R167-D200 PolarHBondContact NH1-OD2 2.96Å; R167-D200 VanDerWaalsContact NH2-CG 3.27Å; R167-D200 IonicContact NH2-OD1 3.63Å; R167-D200 PolarHBondContact NH2-OD1 3.19Å; R167-D200 VanDerWaalsContact NH2-OD1 3.16Å; R167-D200 IonicContact NH2-OD2 3.7Å; R167-D200 PolarHBondContact NH2-OD2 3.29Å; R167-Y203 VanDerWaalsContact NH2-CB 3.28Å |
| 168 | K | 94.3 | Very high | 92.9 | Very high | 160 Ų | 160 | 50 Ų | 50 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -87 | -20.4 | 171.7 | -65.4 | -171.9 | 178.2 | -175.2 | 0 | 113.3 | V103 | V103-K168 WeakPolarHBondContact CG2-O 3.31Å; V103-K168 PolarHBondContact N-O 3.49Å |
| 169 | H | 95.4 | Very high | 93.2 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.6 | -178.7 | -56.9 | 89.5 | 0 | 0 | 0 | 110.5 | G100 C101 F162 | G100-H169 PolarHBondContact O-CD2 3.48Å; G100-H169 VanDerWaalsContact O-CD2 3.25Å; C101-H169 CarbonylContact O-C 3.58Å; C101-H169 VanDerWaalsContact O-CA 3.29Å; C101-H169 WeakPolarHBondContact O-CA 2.99Å; F162-H169 HydrophobicContact CB-CB 4.36Å; F162-H169 HydrophobicContact CD1-CB 4.11Å |
| 170 | Y | 96.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 133 | 166 | -69 | -55.6 | 0 | 0 | 0 | 109.4 | G100 C101 V103 L106 L172 V173 V195 F211 | G100-Y170 CarbonylContact C-O 3.31Å; G100-Y170 WeakPolarHBondContact CA-O 3.4Å; G100-Y170 PolarHBondContact N-O 2.89Å; C101-Y170 PolarHBondContact N-O 3.43Å; C101-Y170 VanDerWaalsContact N-O 3.13Å; C101-Y170 PolarHBondContact O-N 2.89Å; V103-Y170 HydrophobicContact CB-CD2 4.39Å; V103-Y170 HydrophobicContact CB-CE2 3.97Å; V103-Y170 HydrophobicContact CG1-CE2 3.79Å; V103-Y170 HydrophobicContact CG2-CD1 4.16Å; V103-Y170 HydrophobicContact CG2-CD2 3.79Å; V103-Y170 HydrophobicContact CG2-CE1 4.01Å; V103-Y170 HydrophobicContact CG2-CE2 3.64Å; V103-Y170 HydrophobicContact CG2-CG 4.05Å; L106-Y170 HydrophobicContact CD2-CD2 3.9Å; L106-Y170 HydrophobicContact CD2-CE2 3.88Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 2.91Å; Y170-V173 HydrophobicContact CD2-CG2 4.27Å; Y170-V173 HydrophobicContact CG-CG2 4.46Å; Y170-V195 HydrophobicContact CD1-CG1 3.41Å; Y170-V195 VanDerWaalsContact CD1-CG1 3.41Å; Y170-V195 HydrophobicContact CD2-CG1 3.9Å; Y170-V195 HydrophobicContact CE1-CG1 3.74Å; Y170-V195 HydrophobicContact CE2-CG1 4.18Å; Y170-V195 HydrophobicContact CG-CG1 3.51Å; Y170-F211 HydrophobicContact CE1-CE2 4.4Å |
| 171 | P | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | -48.2 | 178.2 | -29.3 | 36.8 | 0 | 0 | 0 | 112.8 | W99 G100 F162 V198 | W99-P171 WeakPolarHBondContact CA-O 3.29Å; G100-P171 PolarHBondContact N-O 3.43Å; F162-P171 HydrophobicContact CD2-CB 3.85Å; F162-P171 HydrophobicContact CD2-CG 3.81Å; F162-P171 VanDerWaalsContact CE2-CA 3.47Å; F162-P171 HydrophobicContact CE2-CB 3.53Å; F162-P171 HydrophobicContact CE2-CG 4.04Å; F162-P171 HydrophobicContact CZ-CB 4.17Å; P171-V198 HydrophobicContact CB-CB 3.86Å; P171-V198 HydrophobicContact CB-CG2 4.06Å |
| 172 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 133.5 | -179.6 | 177 | 61.4 | 0 | 0 | 0 | 110.6 | V83 L85 C97 F98 W99 T151 Y170 I196 V198 | V83-L172 HydrophobicContact CB-CD2 4.46Å; L85-L172 HydrophobicContact CD1-CD2 4.43Å; L85-L172 HydrophobicContact CD2-CD2 4.46Å; C97-L172 HydrophobicContact CB-CD1 4.03Å; F98-L172 WeakPolarHBondContact O-CA 3.34Å; W99-L172 HydrophobicContact CD2-CD1 4.1Å; W99-L172 HydrophobicContact CE3-CB 4.4Å; W99-L172 HydrophobicContact CG-CD1 4.23Å; W99-L172 HydrophobicContact CZ2-CD1 4.41Å; W99-L172 HydrophobicContact CZ2-CD2 4.31Å; T151-L172 HydrophobicContact CG2-CD2 4.3Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 2.91Å; L172-I196 HydrophobicContact CB-CB 4.2Å; L172-I196 HydrophobicContact CD2-CB 4.28Å; L172-I196 HydrophobicContact CD2-CD1 4.02Å; L172-I196 HydrophobicContact CD2-CG2 4.4Å; L172-I196 HydrophobicContact CG-CB 4.32Å; L172-I196 HydrophobicContact CG-CD1 4.41Å; L172-I196 PolarHBondContact N-O 3.42Å; L172-I196 PolarHBondContact O-N 2.77Å; L172-V198 HydrophobicContact CB-CG2 3.81Å; L172-V198 HydrophobicContact CD2-CG2 4.27Å |
| 173 | V | 98 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.3 | 167.6 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | F98 C101 L106 Y170 V175 V193 I194 V195 | F98-V173 HydrophobicContact CB-CB 4.42Å; F98-V173 PolarHBondContact N-O 2.99Å; F98-V173 PolarHBondContact O-N 3.15Å; C101-V173 HydrophobicContact CB-CB 4.26Å; C101-V173 HydrophobicContact CB-CG2 3.68Å; L106-V173 HydrophobicContact CD1-CG1 4.15Å; L106-V173 HydrophobicContact CD2-CG1 4.23Å; L106-V173 HydrophobicContact CD2-CG2 4Å; Y170-V173 HydrophobicContact CD2-CG2 4.27Å; Y170-V173 HydrophobicContact CG-CG2 4.46Å; V173-V175 HydrophobicContact CG1-CG2 4.23Å; V173-V193 HydrophobicContact CG1-CG1 4.01Å; V173-I194 CarbonylContact C-O 3.43Å; V173-I194 WeakPolarHBondContact CA-O 3.22Å; V173-V195 HydrophobicContact CG2-CG2 4.49Å |
| 174 | A | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L70 L85 L95 S96 I194 I196 | L70-A174 HydrophobicContact CD2-CB 3.68Å; L85-A174 HydrophobicContact CD1-CB 4.42Å; L95-A174 HydrophobicContact CD1-CB 4.01Å; S96-A174 CarbonylContact O-C 3.51Å; S96-A174 WeakPolarHBondContact O-CA 3.49Å; A174-I194 HydrophobicContact CB-CB 4.41Å; A174-I194 PolarHBondContact N-O 3.49Å; A174-I194 PolarHBondContact O-N 3.3Å; A174-I196 HydrophobicContact CB-CD1 4.16Å |
| 175 | V | 97.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.1 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 109 | S96 F98 F125 V173 T177 N192 V193 | S96-V175 PolarHBondContact N-O 3.27Å; S96-V175 PolarHBondContact O-N 2.9Å; F98-V175 HydrophobicContact CD2-CG2 4.17Å; F98-V175 HydrophobicContact CE2-CB 4.33Å; F98-V175 HydrophobicContact CE2-CG2 3.93Å; F125-V175 HydrophobicContact CD1-CG1 4.15Å; F125-V175 HydrophobicContact CD1-CG2 4.26Å; F125-V175 HydrophobicContact CD2-CG1 3.77Å; F125-V175 HydrophobicContact CE1-CG1 3.97Å; F125-V175 HydrophobicContact CE1-CG2 4.29Å; F125-V175 HydrophobicContact CE2-CG1 3.56Å; F125-V175 HydrophobicContact CG-CG1 4.04Å; F125-V175 HydrophobicContact CZ-CG1 3.66Å; V173-V175 HydrophobicContact CG1-CG2 4.23Å; V175-T177 HydrophobicContact CG1-CG2 4.17Å; V175-N192 WeakPolarHBondContact CA-O 3.26Å; V175-V193 HydrophobicContact CG1-CG2 4.22Å; V175-V193 HydrophobicContact CG2-CG1 4.3Å; V175-V193 HydrophobicContact CG2-CG2 4.27Å |
| 176 | L | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.3 | 171 | -74 | 164.3 | 0 | 0 | 0 | 109.6 | F68 L70 C93 V94 L95 A191 N192 | F68-L176 HydrophobicContact CB-CB 4.24Å; F68-L176 HydrophobicContact CB-CD1 4.04Å; F68-L176 HydrophobicContact CD1-CB 3.73Å; F68-L176 HydrophobicContact CE1-CB 4.28Å; F68-L176 HydrophobicContact CG-CB 4.08Å; L70-L176 HydrophobicContact CB-CD1 4Å; L70-L176 HydrophobicContact CD1-CD1 4.4Å; C93-L176 HydrophobicContact CB-CD2 4.26Å; V94-L176 WeakPolarHBondContact O-CA 3.29Å; L95-L176 HydrophobicContact CB-CD2 3.76Å; L95-L176 HydrophobicContact CD1-CD2 3.91Å; L95-L176 HydrophobicContact CD1-CG 4.04Å; L95-L176 HydrophobicContact CG-CD2 4.39Å; L176-A191 CarbonylContact O-C 3.58Å; L176-A191 VanDerWaalsContact O-CA 3.23Å; L176-A191 WeakPolarHBondContact O-CA 3.48Å; L176-N192 HydrophobicContact CB-CB 4.31Å; L176-N192 PolarHBondContact N-O 3.32Å; L176-N192 PolarHBondContact O-N 2.87Å |
| 177 | T | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 150.4 | 172.8 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | C93 V94 P122 F125 V175 A179 A191 | C93-T177 CarbonylContact C-O 3.57Å; C93-T177 WeakPolarHBondContact CA-O 3.35Å; V94-T177 PolarHBondContact N-O 3.47Å; V94-T177 PolarHBondContact O-N 3.36Å; V94-T177 VanDerWaalsContact O-N 3.12Å; P122-T177 VanDerWaalsContact CD-OG1 3.25Å; P122-T177 WeakPolarHBondContact CD-OG1 3.39Å; P122-T177 VanDerWaalsContact CG-OG1 3.3Å; P122-T177 WeakPolarHBondContact CG-OG1 3.48Å; F125-T177 HydrophobicContact CD2-CG2 4.21Å; F125-T177 HydrophobicContact CE2-CG2 4.02Å; V175-T177 HydrophobicContact CG1-CG2 4.17Å; T177-A179 PolarHBondContact O-N 3.46Å; T177-A191 HydrophobicContact CG2-CB 3.9Å |
| 178 | L | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131.3 | 175.5 | -68.2 | 168.6 | 0 | 0 | 0 | 110.7 | P67 F68 E91 A183 R184 Y187 | P67-L178 HydrophobicContact CB-CD2 4.34Å; P67-L178 HydrophobicContact CG-CD2 4.41Å; F68-L178 HydrophobicContact CE1-CD2 4.04Å; F68-L178 HydrophobicContact CE1-CG 4.03Å; F68-L178 HydrophobicContact CZ-CD2 4.23Å; F68-L178 HydrophobicContact CZ-CG 3.8Å; E91-L178 HydrophobicContact CB-CD2 3.63Å; E91-L178 HydrophobicContact CG-CD2 4.08Å; L178-A183 HydrophobicContact CD1-CB 4.2Å; L178-A183 HydrophobicContact CD2-CB 4.3Å; L178-R184 HydrophobicContact CB-CG 3.89Å; L178-R184 HydrophobicContact CD1-CB 4.43Å; L178-R184 HydrophobicContact CD1-CG 3.98Å; L178-R184 PolarHBondContact O-NE 3.49Å; L178-R184 PolarHBondContact O-NH2 3.3Å; L178-Y187 HydrophobicContact CD1-CD2 4.05Å |
| 179 | A | 90.8 | Very high | 90.1 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -70 | -44.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P92 V94 Y140 T177 | P92-A179 HydrophobicContact CB-CB 4.27Å; P92-A179 WeakPolarHBondContact O-CB 3.34Å; P92-A179 PolarHBondContact O-N 2.9Å; V94-A179 HydrophobicContact CG2-CB 3.98Å; Y140-A179 HydrophobicContact CD2-CB 4.45Å; Y140-A179 HydrophobicContact CE2-CB 3.56Å; T177-A179 PolarHBondContact O-N 3.46Å |
| 180 | E | 86.8 | Confident | 89.9 | Confident | 97 Ų | 97 | 38 Ų | 38 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -95.4 | 142.9 | -173.9 | -61.8 | -178 | -172.2 | 0 | 0 | 112.1 | R184 | E180-R184 WeakPolarHBondContact O-CG 3.38Š|
| 181 | T | 79.6 | Confident | 89.9 | Confident | 89 Ų | 89 | 36.4 Ų | 36.4 | 55% | 0.546 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -33.2 | -178.9 | -51.1 | 0 | 0 | 0 | 0 | 112.4 | R184 | T181-R184 WeakPolarHBondContact O-CB 3.38Å; T181-R184 PolarHBondContact O-N 2.75Å; T181-R184 VanDerWaalsContact O-N 3.15Å |
| 182 | E | 79.8 | Confident | 89.9 | Confident | 140 Ų | 140 | 36.3 Ų | 36.3 | 65% | 0.654 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -43.1 | -179.2 | -58.9 | -53 | 144.1 | 0 | 0 | 111.6 | R184 N185 | E182-R184 PolarHBondContact O-N 2.9Å; E182-N185 PolarHBondContact O-N 2.9Å; E182-N185 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 75.6 | Confident | 89.9 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.7 | -30.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E91 L178 N185 L186 Y187 | E91-A183 HydrophobicContact CG-CB 4.36Å; L178-A183 HydrophobicContact CD1-CB 4.2Å; L178-A183 HydrophobicContact CD2-CB 4.3Å; A183-N185 PolarHBondContact O-N 3.26Å; A183-N185 VanDerWaalsContact O-N 3.15Å; A183-L186 WeakPolarHBondContact O-CB 3.43Å; A183-L186 PolarHBondContact O-N 2.8Å; A183-Y187 WeakPolarHBondContact O-CD2 3.3Å |
| 184 | R | 76.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.2 | 179.8 | -64.7 | 174.7 | -174.4 | 169.9 | 3 | 113.6 | T120 L178 E180 T181 E182 | T120-R184 VanDerWaalsContact O-CZ 3.32Å; T120-R184 PolarHBondContact O-NE 3.46Å; L178-R184 HydrophobicContact CB-CG 3.89Å; L178-R184 HydrophobicContact CD1-CB 4.43Å; L178-R184 HydrophobicContact CD1-CG 3.98Å; L178-R184 PolarHBondContact O-NE 3.49Å; L178-R184 PolarHBondContact O-NH2 3.3Å; E180-R184 WeakPolarHBondContact O-CG 3.38Å; T181-R184 WeakPolarHBondContact O-CB 3.38Å; T181-R184 PolarHBondContact O-N 2.75Å; T181-R184 VanDerWaalsContact O-N 3.15Å; E182-R184 PolarHBondContact O-N 2.9Å |
| 185 | N | 79.3 | Confident | 89.9 | Confident | 130 Ų | 130 | 36.2 Ų | 36.2 | 70% | 0.695 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -85.9 | -15 | 176.8 | -62.8 | -34.5 | 0 | 0 | 0 | 112.7 | E182 A183 | E182-N185 PolarHBondContact O-N 2.9Å; E182-N185 VanDerWaalsContact O-N 3.15Å; A183-N185 PolarHBondContact O-N 3.26Å; A183-N185 VanDerWaalsContact O-N 3.15Å |
| 186 | L | 86 | Confident | 89.9 | Confident | 129 Ų | 129 | 36.2 Ų | 36.2 | 68% | 0.675 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -28.6 | -178.2 | -62.2 | 174 | 0 | 0 | 0 | 112.7 | A183 | A183-L186 WeakPolarHBondContact O-CB 3.43Å; A183-L186 PolarHBondContact O-N 2.8Å |
| 187 | Y | 89.6 | Confident | 89.8 | Confident | 41 Ų | 41 | 37.1 Ų | 37.1 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | trans | -114.6 | 137.2 | -174 | -59 | -84.9 | 0 | 0 | 0 | 111.5 | T65 P67 E91 L178 A183 I189 | T65-Y187 HydrophobicContact CG2-CD1 4.29Å; T65-Y187 HydrophobicContact CG2-CE1 3.89Å; P67-Y187 HydrophobicContact CB-CD1 3.99Å; P67-Y187 HydrophobicContact CB-CD2 4.35Å; P67-Y187 HydrophobicContact CB-CE1 3.97Å; P67-Y187 HydrophobicContact CB-CE2 4.38Å; P67-Y187 HydrophobicContact CB-CG 4.18Å; P67-Y187 HydrophobicContact CG-CD1 3.99Å; P67-Y187 HydrophobicContact CG-CD2 4.38Å; P67-Y187 HydrophobicContact CG-CE1 4.48Å; P67-Y187 HydrophobicContact CG-CG 3.93Å; E91-Y187 HydrophobicContact CG-CD2 4.48Å; E91-Y187 HydrophobicContact CG-CE2 3.49Å; E91-Y187 VanDerWaalsContact CG-CE2 3.49Å; E91-Y187 PolarHBondContact OE1-OH 3.07Å; L178-Y187 HydrophobicContact CD1-CD2 4.05Å; A183-Y187 WeakPolarHBondContact O-CD2 3.3Å; Y187-I189 VanDerWaalsContact C-N 3.35Å | ||
| 188 | N | 91.1 | Very high | 89.9 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -72.5 | -32.6 | 170.4 | -171.9 | 22.3 | 0 | 0 | 0 | 111.4 | V190 T216 S217 | N188-V190 PolarHBondContact O-N 3.44Å; N188-T216 CarbonylContact O-C 3.56Å; N188-T216 WeakPolarHBondContact O-CA 3.16Å; N188-S217 PolarHBondContact O-N 2.98Å; N188-S217 PolarHBondContact OD1-OG 3.38Å |
| 189 | I | 93.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.9 | 177.8 | -61.9 | 166.6 | 0 | 0 | 0 | 108.8 | N66 F68 Y187 L214 L215 | N66-I189 HydrophobicContact CB-CD1 3.79Å; F68-I189 HydrophobicContact CD2-CG2 3.95Å; F68-I189 HydrophobicContact CE2-CG2 3.93Å; Y187-I189 VanDerWaalsContact C-N 3.35Å; I189-L214 HydrophobicContact CD1-CD1 4.09Å; I189-L214 HydrophobicContact CG2-CB 4.33Å; I189-L214 HydrophobicContact CG2-CD2 4.15Å; I189-L215 CarbonylContact C-O 3.57Å; I189-L215 WeakPolarHBondContact CA-O 3.43Å |
| 190 | V | 93.2 | Very high | 90 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -25.1 | -173.7 | -62.9 | 0 | 0 | 0 | 0 | 113.7 | T120 N188 L215 | T120-V190 HydrophobicContact CG2-CB 4.04Å; T120-V190 HydrophobicContact CG2-CG1 4.13Å; T120-V190 HydrophobicContact CG2-CG2 4.13Å; N188-V190 PolarHBondContact O-N 3.44Å; V190-L215 HydrophobicContact CG2-CB 4.18Å; V190-L215 WeakPolarHBondContact CG2-O 3.18Å; V190-L215 PolarHBondContact N-O 3.5Å |
| 191 | A | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F125 L176 T177 L215 | F125-A191 HydrophobicContact CE2-CB 3.8Å; F125-A191 HydrophobicContact CZ-CB 4.01Å; L176-A191 CarbonylContact O-C 3.58Å; L176-A191 VanDerWaalsContact O-CA 3.23Å; L176-A191 WeakPolarHBondContact O-CA 3.48Å; T177-A191 HydrophobicContact CG2-CB 3.9Å; A191-L215 HydrophobicContact CB-CB 4.09Å; A191-L215 HydrophobicContact CB-CD1 4.19Å; A191-L215 HydrophobicContact CB-CG 4.26Å; A191-L215 PolarHBondContact N-O 3.28Å; A191-L215 PolarHBondContact O-N 3.19Å |
| 192 | N | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.3 | 172.1 | -178.8 | 10.6 | 0 | 0 | 0 | 109.1 | F68 V175 L176 I194 Q212 Y213 L214 | F68-N192 HydrophobicContact CB-CB 3.64Å; F68-N192 HydrophobicContact CD2-CB 3.73Å; F68-N192 HydrophobicContact CG-CB 3.89Å; V175-N192 WeakPolarHBondContact CA-O 3.26Å; L176-N192 HydrophobicContact CB-CB 4.31Å; L176-N192 PolarHBondContact N-O 3.32Å; L176-N192 PolarHBondContact O-N 2.87Å; N192-I194 WeakPolarHBondContact OD1-CG1 3.15Å; N192-Q212 PolarHBondContact ND2-NE2 3.11Å; N192-Q212 VanDerWaalsContact OD1-CG 3.31Å; N192-Q212 WeakPolarHBondContact OD1-CG 3.28Å; N192-Q212 PolarHBondContact OD1-NE2 2.85Å; N192-Y213 WeakPolarHBondContact CA-O 3.36Å; N192-L214 HydrophobicContact CB-CD2 3.93Å |
| 193 | V | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.6 | -177.1 | -180 | 0 | 0 | 0 | 0 | 109.1 | L106 L110 F125 V173 V175 Q212 Y213 L215 | L106-V193 HydrophobicContact CD1-CG1 4.14Å; L110-V193 HydrophobicContact CD2-CG2 4.33Å; F125-V193 HydrophobicContact CE1-CG2 3.69Å; F125-V193 HydrophobicContact CZ-CG2 3.61Å; V173-V193 HydrophobicContact CG1-CG1 4.01Å; V175-V193 HydrophobicContact CG1-CG2 4.22Å; V175-V193 HydrophobicContact CG2-CG1 4.3Å; V175-V193 HydrophobicContact CG2-CG2 4.27Å; V193-Q212 CarbonylContact O-C 3.56Å; V193-Q212 WeakPolarHBondContact O-CA 3.49Å; V193-Y213 PolarHBondContact N-O 2.89Å; V193-Y213 PolarHBondContact O-N 2.85Å; V193-L215 HydrophobicContact CG2-CD1 4.23Å; V193-L215 HydrophobicContact CG2-CG 4.35Å |
| 194 | I | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117.8 | -170.2 | -54.9 | 171.2 | 0 | 0 | 0 | 108.5 | L70 V173 A174 N192 I196 I209 F211 Q212 | L70-I194 HydrophobicContact CB-CD1 3.4Å; L70-I194 HydrophobicContact CD2-CD1 3.55Å; L70-I194 HydrophobicContact CG-CD1 4.09Å; V173-I194 CarbonylContact C-O 3.43Å; V173-I194 WeakPolarHBondContact CA-O 3.22Å; A174-I194 HydrophobicContact CB-CB 4.41Å; A174-I194 PolarHBondContact N-O 3.49Å; A174-I194 PolarHBondContact O-N 3.3Å; N192-I194 WeakPolarHBondContact OD1-CG1 3.15Å; I194-I196 HydrophobicContact CG2-CD1 4.17Å; I194-I196 HydrophobicContact CG2-CG1 3.79Å; I194-I209 HydrophobicContact CG2-CB 4.4Å; I194-I209 HydrophobicContact CG2-CD1 4.12Å; I194-I209 HydrophobicContact CG2-CG1 3.93Å; I194-I209 HydrophobicContact CG2-CG2 3.7Å; I194-F211 WeakPolarHBondContact CA-O 3.12Å; I194-Q212 HydrophobicContact CG1-CG 4.09Å |
| 195 | V | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.2 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | L106 Y170 V173 L210 F211 Y213 | L106-V195 HydrophobicContact CD2-CG2 3.69Å; Y170-V195 HydrophobicContact CD1-CG1 3.41Å; Y170-V195 VanDerWaalsContact CD1-CG1 3.41Å; Y170-V195 HydrophobicContact CD2-CG1 3.9Å; Y170-V195 HydrophobicContact CE1-CG1 3.74Å; Y170-V195 HydrophobicContact CE2-CG1 4.18Å; Y170-V195 HydrophobicContact CG-CG1 3.51Å; V173-V195 HydrophobicContact CG2-CG2 4.49Å; V195-L210 HydrophobicContact CG1-CB 4.39Å; V195-L210 HydrophobicContact CG1-CD1 4.27Å; V195-L210 PolarHBondContact O-N 2.76Å; V195-F211 HydrophobicContact CB-CB 4.15Å; V195-F211 HydrophobicContact CB-CD2 4Å; V195-F211 HydrophobicContact CG1-CD2 4.16Å; V195-F211 HydrophobicContact CG2-CB 4.22Å; V195-F211 HydrophobicContact CG2-CD2 4.27Å; V195-F211 PolarHBondContact N-O 2.78Å; V195-F211 PolarHBondContact O-N 2.82Å; V195-Y213 HydrophobicContact CG2-CE2 4.36Å |
| 196 | I | 97 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.6 | -173 | -57.6 | 173.9 | 0 | 0 | 0 | 109 | L70 L72 L85 L172 A174 I194 V198 I209 | L70-I196 HydrophobicContact CD2-CD1 4.39Å; L72-I196 HydrophobicContact CD2-CD1 4.16Å; L72-I196 HydrophobicContact CD2-CG2 3.85Å; L85-I196 HydrophobicContact CD2-CD1 3.72Å; L172-I196 HydrophobicContact CB-CB 4.2Å; L172-I196 HydrophobicContact CD2-CB 4.28Å; L172-I196 HydrophobicContact CD2-CD1 4.02Å; L172-I196 HydrophobicContact CD2-CG2 4.4Å; L172-I196 HydrophobicContact CG-CB 4.32Å; L172-I196 HydrophobicContact CG-CD1 4.41Å; L172-I196 PolarHBondContact N-O 3.42Å; L172-I196 PolarHBondContact O-N 2.77Å; A174-I196 HydrophobicContact CB-CD1 4.16Å; I194-I196 HydrophobicContact CG2-CD1 4.17Å; I194-I196 HydrophobicContact CG2-CG1 3.79Å; I196-V198 HydrophobicContact CG2-CG2 4.18Å; I196-I209 HydrophobicContact CG1-CG1 4.37Å |
| 197 | H | 95.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.3 | 163.5 | 176.9 | 53 | 0 | 0 | 0 | 109.2 | L205 A207 R208 L210 | H197-L205 PolarHBondContact CD2-O 3.29Å; H197-L205 VanDerWaalsContact CD2-O 3.31Å; H197-L205 PolarHBondContact NE2-O 3.36Å; H197-A207 WeakPolarHBondContact O-CA 3.22Å; H197-A207 WeakPolarHBondContact O-CB 3.36Å; H197-R208 HydrophobicContact CB-CG 4.11Å; H197-R208 PolarHBondContact N-O 2.91Å; H197-R208 PolarHBondContact O-N 2.77Å; H197-L210 HydrophobicContact CB-CD1 4.01Å; H197-L210 HydrophobicContact CB-CD2 3.96Å; H197-L210 HydrophobicContact CB-CG 3.93Å |
| 198 | V | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -119.5 | 133.2 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | V79 V83 W99 P171 L172 I196 D200 | V79-V198 HydrophobicContact CG2-CG1 4.24Å; V83-V198 HydrophobicContact CG2-CB 4.2Å; V83-V198 HydrophobicContact CG2-CG1 3.5Å; V83-V198 VanDerWaalsContact CG2-CG1 3.5Å; V83-V198 HydrophobicContact CG2-CG2 3.65Å; W99-V198 HydrophobicContact CH2-CG1 4.1Å; W99-V198 HydrophobicContact CH2-CG2 4.12Å; W99-V198 HydrophobicContact CZ3-CB 4.23Å; W99-V198 HydrophobicContact CZ3-CG1 4.1Å; W99-V198 HydrophobicContact CZ3-CG2 4.04Å; P171-V198 HydrophobicContact CB-CB 3.86Å; P171-V198 HydrophobicContact CB-CG2 4.06Å; L172-V198 HydrophobicContact CB-CG2 3.81Å; L172-V198 HydrophobicContact CD2-CG2 4.27Å; I196-V198 HydrophobicContact CG2-CG2 4.18Å; V198-D200 PolarHBondContact O-N 2.84Å | ||
| 199 | P | 94.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | trans | -58.2 | 134.6 | 176.6 | -21.6 | 29.5 | 0 | 0 | 0 | 111.9 | A77 C78 V79 Y203 L205 | A77-P199 WeakPolarHBondContact O-CD 3.37Å; A77-P199 WeakPolarHBondContact O-CG 3.2Å; C78-P199 CarbonylContact C-O 3.53Å; C78-P199 WeakPolarHBondContact CA-O 3.44Å; V79-P199 WeakPolarHBondContact CG2-O 3.17Å; V79-P199 PolarHBondContact N-O 2.74Å; P199-Y203 WeakPolarHBondContact CA-O 3.32Å; P199-L205 VanDerWaalsContact CG-O 3.3Å; P199-L205 WeakPolarHBondContact CG-O 3.44Å | ||
| 200 | D | 93.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | trans | -134.4 | 179.9 | 177.8 | 72.6 | 21.2 | 0 | 0 | 0 | 112.2 | V79 D161 F162 R167 V198 K202 Y203 | V79-D200 HydrophobicContact CB-CB 4.34Å; V79-D200 HydrophobicContact CG2-CB 3.54Å; D161-D200 HydrophobicContact CB-CB 4.34Å; F162-D200 PolarHBondContact N-OD2 3.31Å; R167-D200 IonicContact CZ-OD2 3.76Å; R167-D200 IonicContact NH1-OD2 3.39Å; R167-D200 PolarHBondContact NH1-OD2 2.96Å; R167-D200 VanDerWaalsContact NH2-CG 3.27Å; R167-D200 IonicContact NH2-OD1 3.63Å; R167-D200 PolarHBondContact NH2-OD1 3.19Å; R167-D200 VanDerWaalsContact NH2-OD1 3.16Å; R167-D200 IonicContact NH2-OD2 3.7Å; R167-D200 PolarHBondContact NH2-OD2 3.29Å; V198-D200 PolarHBondContact O-N 2.84Å; D200-K202 PolarHBondContact O-N 3.03Å; D200-K202 VanDerWaalsContact O-N 3.15Å; D200-K202 PolarHBondContact OD1-N 3.11Å; D200-Y203 PolarHBondContact N-O 2.82Å; D200-Y203 CarbonylContact O-C 3.48Å; D200-Y203 PolarHBondContact O-N 3.32Å; D200-Y203 PolarHBondContact OD1-N 3.08Å | ||
| 201 | G | 89.1 | Confident | 94.3 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 74% | 0.742 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -63.2 | -19.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T160 | T160-G201 PolarHBondContact O-N 2.98Å; T160-G201 VanDerWaalsContact O-N 3.11Å |
| 202 | K | 89.7 | Confident | 94.3 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -100.4 | -33.4 | 178.2 | -75 | -177.5 | -177.5 | 149.3 | 0 | 112.8 | D161 D200 | D161-K202 HydrophobicContact CB-CB 4.33Å; D161-K202 HydrophobicContact CB-CD 4.16Å; D161-K202 HydrophobicContact CB-CG 4.04Å; D161-K202 WeakPolarHBondContact OD1-CD 3.06Å; D161-K202 VanDerWaalsContact OD1-CE 3.32Å; D161-K202 WeakPolarHBondContact OD1-CE 3.4Å; D161-K202 IonicContact OD1-NZ 2.71Å; D161-K202 PolarHBondContact OD1-NZ 3.45Å; D161-K202 WeakPolarHBondContact OD2-CE 3.18Å; D161-K202 IonicContact OD2-NZ 3.11Å; D161-K202 PolarHBondContact OD2-NZ 2.92Å; D200-K202 PolarHBondContact O-N 3.03Å; D200-K202 VanDerWaalsContact O-N 3.15Å; D200-K202 PolarHBondContact OD1-N 3.11Å |
| 203 | Y | 90.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | trans | -134.8 | 109.3 | -177.9 | -56.9 | -93.2 | 0 | 0 | 0 | 109.7 | L165 R167 P199 D200 | L165-Y203 HydrophobicContact CD1-CD1 4.13Å; L165-Y203 HydrophobicContact CD1-CE1 3.35Å; L165-Y203 HydrophobicContact CG-CD1 4.49Å; L165-Y203 HydrophobicContact CG-CE1 3.65Å; L165-Y203 HydrophobicContact CG-CE2 4.28Å; L165-Y203 WeakPolarHBondContact CG-OH 3.26Å; L165-Y203 PolarHBondContact N-OH 3.35Å; R167-Y203 VanDerWaalsContact NH2-CB 3.28Å; P199-Y203 WeakPolarHBondContact CA-O 3.32Å; D200-Y203 PolarHBondContact N-O 2.82Å; D200-Y203 CarbonylContact O-C 3.48Å; D200-Y203 PolarHBondContact O-N 3.32Å; D200-Y203 PolarHBondContact OD1-N 3.08Å | ||
| 204 | N | 90.9 | Very high | 94.2 | Very high | 138 Ų | 138 | 49.6 Ų | 49.6 | 74% | 0.738 | 27% | 0.267 | S | S | * | . | trans | -101.9 | 19.3 | -171.5 | 66 | -7.4 | 0 | 0 | 0 | 113.7 | ||||
| 205 | L | 91.6 | Very high | 94.1 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 136.8 | 177 | -69 | 178.5 | 0 | 0 | 0 | 109.7 | H197 P199 A207 | H197-L205 PolarHBondContact CD2-O 3.29Å; H197-L205 VanDerWaalsContact CD2-O 3.31Å; H197-L205 PolarHBondContact NE2-O 3.36Å; P199-L205 VanDerWaalsContact CG-O 3.3Å; P199-L205 WeakPolarHBondContact CG-O 3.44Å; L205-A207 PolarHBondContact O-N 3.42Å |
| 206 | S | 92.7 | Very high | 93.8 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 60% | 0.601 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 141 | -179.5 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | R208 | S206-R208 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-NE 2.83Å; S206-R208 VanDerWaalsContact O-NE 3.11Å |
| 207 | A | 95.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 136.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | L72 A77 H197 L205 | L72-A207 HydrophobicContact CD1-CB 4.23Å; A77-A207 HydrophobicContact CB-CB 3.52Å; H197-A207 WeakPolarHBondContact O-CA 3.22Å; H197-A207 WeakPolarHBondContact O-CB 3.36Å; L205-A207 PolarHBondContact O-N 3.42Å |
| 208 | R | 94.6 | Very high | 93.1 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 150.4 | -177.2 | 66.2 | -171.1 | 72.7 | 178.5 | -2 | 111 | H197 S206 L210 | H197-R208 HydrophobicContact CB-CG 4.11Å; H197-R208 PolarHBondContact N-O 2.91Å; H197-R208 PolarHBondContact O-N 2.77Å; S206-R208 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-NE 2.83Å; S206-R208 VanDerWaalsContact O-NE 3.11Å; R208-L210 HydrophobicContact CG-CD2 4.05Å; R208-L210 PolarHBondContact O-N 3.48Å |
| 209 | I | 95.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.4 | 168.7 | -61.9 | 170.8 | 0 | 0 | 0 | 107.8 | I194 I196 Q212 | I194-I209 HydrophobicContact CG2-CB 4.4Å; I194-I209 HydrophobicContact CG2-CD1 4.12Å; I194-I209 HydrophobicContact CG2-CG1 3.93Å; I194-I209 HydrophobicContact CG2-CG2 3.7Å; I196-I209 HydrophobicContact CG1-CG1 4.37Å; I209-Q212 HydrophobicContact CG2-CB 4.46Å |
| 210 | L | 94.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -47.9 | 176.7 | -62.9 | -179.9 | 0 | 0 | 0 | 110.7 | V195 H197 R208 | V195-L210 HydrophobicContact CG1-CB 4.39Å; V195-L210 HydrophobicContact CG1-CD1 4.27Å; V195-L210 PolarHBondContact O-N 2.76Å; H197-L210 HydrophobicContact CB-CD1 4.01Å; H197-L210 HydrophobicContact CB-CD2 3.96Å; H197-L210 HydrophobicContact CB-CG 3.93Å; R208-L210 HydrophobicContact CG-CD2 4.05Å; R208-L210 PolarHBondContact O-N 3.48Å |
| 211 | F | 95.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147 | -176.6 | -50.3 | -68.8 | 0 | 0 | 0 | 109.7 | Y170 I194 V195 Y213 E223 | Y170-F211 HydrophobicContact CE1-CE2 4.4Å; I194-F211 WeakPolarHBondContact CA-O 3.12Å; V195-F211 HydrophobicContact CB-CB 4.15Å; V195-F211 HydrophobicContact CB-CD2 4Å; V195-F211 HydrophobicContact CG1-CD2 4.16Å; V195-F211 HydrophobicContact CG2-CB 4.22Å; V195-F211 HydrophobicContact CG2-CD2 4.27Å; V195-F211 PolarHBondContact N-O 2.78Å; V195-F211 PolarHBondContact O-N 2.82Å; F211-Y213 HydrophobicContact CB-CD2 4.27Å; F211-Y213 HydrophobicContact CB-CE2 3.45Å; F211-Y213 VanDerWaalsContact CB-CE2 3.45Å; F211-Y213 HydrophobicContact CG-CE2 4.24Å; F211-E223 WeakPolarHBondContact CD1-OE1 3.17Å |
| 212 | Q | 96.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 121.7 | 173.9 | 178.6 | 168.3 | 5.2 | 0 | 0 | 108.2 | N192 V193 I194 I209 E223 L224 | N192-Q212 PolarHBondContact ND2-NE2 3.11Å; N192-Q212 VanDerWaalsContact OD1-CG 3.31Å; N192-Q212 WeakPolarHBondContact OD1-CG 3.28Å; N192-Q212 PolarHBondContact OD1-NE2 2.85Å; V193-Q212 CarbonylContact O-C 3.56Å; V193-Q212 WeakPolarHBondContact O-CA 3.49Å; I194-Q212 HydrophobicContact CG1-CG 4.09Å; I209-Q212 HydrophobicContact CG2-CB 4.46Å; Q212-E223 CarbonylContact O-C 3.56Å; Q212-E223 WeakPolarHBondContact O-CA 3.45Å; Q212-L224 HydrophobicContact CB-CB 4.21Å; Q212-L224 HydrophobicContact CG-CB 4.04Å; Q212-L224 HydrophobicContact CG-CD2 4.21Å; Q212-L224 PolarHBondContact O-N 2.83Å |
| 213 | Y | 96.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 63.8 Ų | 63.8 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.9 | -178.3 | -55.9 | -81.2 | 0 | 0 | 0 | 109.8 | L110 N192 V193 V195 F211 M221 H222 E223 | L110-Y213 HydrophobicContact CD1-CD2 4.07Å; L110-Y213 HydrophobicContact CD1-CE2 4.17Å; L110-Y213 HydrophobicContact CD1-CG 4.42Å; N192-Y213 WeakPolarHBondContact CA-O 3.36Å; V193-Y213 PolarHBondContact N-O 2.89Å; V193-Y213 PolarHBondContact O-N 2.85Å; V195-Y213 HydrophobicContact CG2-CE2 4.36Å; F211-Y213 HydrophobicContact CB-CD2 4.27Å; F211-Y213 HydrophobicContact CB-CE2 3.45Å; F211-Y213 VanDerWaalsContact CB-CE2 3.45Å; F211-Y213 HydrophobicContact CG-CE2 4.24Å; Y213-M221 HydrophobicContact CD1-CE 4.26Å; Y213-M221 HydrophobicContact CD1-CG 4.18Å; Y213-M221 HydrophobicContact CD1-SD 3.87Å; Y213-M221 HydrophobicContact CE1-CE 4.42Å; Y213-M221 HydrophobicContact CE1-SD 4.4Å; Y213-M221 HydrophobicContact CG-SD 4.33Å; Y213-H222 CarbonylContact C-O 3.42Å; Y213-H222 WeakPolarHBondContact CA-O 3.44Å; Y213-E223 HydrophobicContact CD1-CB 3.92Å; Y213-E223 HydrophobicContact CD1-CG 4.04Å; Y213-E223 HydrophobicContact CE1-CB 3.93Å; Y213-E223 HydrophobicContact CE1-CG 3.78Å |
| 214 | L | 95.1 | Very high | 93 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.6 | 171.2 | -60.3 | 178.2 | 0 | 0 | 0 | 108.7 | I189 N192 M221 H222 L224 | I189-L214 HydrophobicContact CD1-CD1 4.09Å; I189-L214 HydrophobicContact CG2-CB 4.33Å; I189-L214 HydrophobicContact CG2-CD2 4.15Å; N192-L214 HydrophobicContact CB-CD2 3.93Å; L214-M221 WeakPolarHBondContact O-CA 2.87Å; L214-H222 PolarHBondContact N-O 3.41Å; L214-H222 PolarHBondContact O-N 3.05Å; L214-L224 HydrophobicContact CD1-CD1 4.12Å |
| 215 | L | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.8 | 175.3 | -55.8 | -165.4 | 0 | 0 | 0 | 109.1 | L110 L119 F125 I189 V190 A191 V193 M221 | L110-L215 HydrophobicContact CD2-CD1 4.49Å; L110-L215 HydrophobicContact CD2-CD2 3.97Å; L119-L215 HydrophobicContact CB-CD1 4.02Å; L119-L215 HydrophobicContact CD1-CD1 3.92Å; F125-L215 HydrophobicContact CE1-CD1 4.33Å; F125-L215 HydrophobicContact CE2-CD1 4.43Å; F125-L215 HydrophobicContact CZ-CD1 3.58Å; I189-L215 CarbonylContact C-O 3.57Å; I189-L215 WeakPolarHBondContact CA-O 3.43Å; V190-L215 HydrophobicContact CG2-CB 4.18Å; V190-L215 WeakPolarHBondContact CG2-O 3.18Å; V190-L215 PolarHBondContact N-O 3.5Å; A191-L215 HydrophobicContact CB-CB 4.09Å; A191-L215 HydrophobicContact CB-CD1 4.19Å; A191-L215 HydrophobicContact CB-CG 4.26Å; A191-L215 PolarHBondContact N-O 3.28Å; A191-L215 PolarHBondContact O-N 3.19Å; V193-L215 HydrophobicContact CG2-CD1 4.23Å; V193-L215 HydrophobicContact CG2-CG 4.35Å; L215-M221 HydrophobicContact CD2-CB 3.94Å; L215-M221 HydrophobicContact CD2-CG 3.71Å |
| 216 | T | 92 | Very high | 92.8 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.5 | -179.6 | 74 | 0 | 0 | 0 | 0 | 112.1 | H113 N188 Q218 G219 Y220 | H113-T216 PolarHBondContact NE2-O 3.49Å; N188-T216 CarbonylContact O-C 3.56Å; N188-T216 WeakPolarHBondContact O-CA 3.16Å; T216-Q218 PolarHBondContact O-N 2.74Å; T216-Q218 VanDerWaalsContact O-N 3.13Å; T216-G219 PolarHBondContact O-N 2.73Å; T216-Y220 PolarHBondContact N-O 2.9Å; T216-Y220 WeakPolarHBondContact OG1-CB 3.32Å; T216-Y220 PolarHBondContact OG1-N 2.95Å; T216-Y220 PolarHBondContact OG1-O 3.27Å |
| 217 | S | 88.9 | Confident | 92.7 | Very high | 35 Ų | 35 | 60.3 Ų | 60.3 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.2 | 175.8 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | R118 N188 G219 | R118-S217 PolarHBondContact NE-O 3.26Å; R118-S217 PolarHBondContact NH1-O 3.15Å; N188-S217 PolarHBondContact O-N 2.98Å; N188-S217 PolarHBondContact OD1-OG 3.38Å; S217-G219 VanDerWaalsContact C-N 3.31Å |
| 218 | Q | 87.8 | Confident | 92.4 | Very high | 118 Ų | 118 | 63.4 Ų | 63.4 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.1 | 179.6 | -58.2 | 176.8 | 17.4 | 0 | 0 | 112.8 | T216 Y220 | T216-Q218 PolarHBondContact O-N 2.74Å; T216-Q218 VanDerWaalsContact O-N 3.13Å; Q218-Y220 HydrophobicContact CB-CD2 3.73Å; Q218-Y220 HydrophobicContact CB-CE2 3.84Å |
| 219 | G | 89.1 | Confident | 91.9 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 90.2 | 7.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q114 T216 S217 | Q114-G219 VanDerWaalsContact CA-O 3.25Å; Q114-G219 WeakPolarHBondContact CA-O 3.41Å; T216-G219 PolarHBondContact O-N 2.73Å; S217-G219 VanDerWaalsContact C-N 3.31Å |
| 220 | Y | 90.2 | Very high | 90.5 | Very high | 134 Ų | 134 | 60.6 Ų | 60.6 | 53% | 0.525 | 30% | 0.299 | S | S | . | . | trans | -81.3 | 146.2 | 174.3 | -59.7 | -67.7 | 0 | 0 | 0 | 111.1 | T216 Q218 H222 | T216-Y220 PolarHBondContact N-O 2.9Å; T216-Y220 WeakPolarHBondContact OG1-CB 3.32Å; T216-Y220 PolarHBondContact OG1-N 2.95Å; T216-Y220 PolarHBondContact OG1-O 3.27Å; Q218-Y220 HydrophobicContact CB-CD2 3.73Å; Q218-Y220 HydrophobicContact CB-CE2 3.84Å; Y220-H222 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 221 | M | 92.6 | Very high | 88.8 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.3 | 172.3 | 178.8 | -165.3 | 73.8 | 0 | 0 | 108.1 | L110 Q114 Y213 L214 L215 | L110-M221 HydrophobicContact CB-SD 3.85Å; L110-M221 HydrophobicContact CD1-SD 4.1Å; L110-M221 HydrophobicContact CD2-SD 4.09Å; L110-M221 HydrophobicContact CG-SD 4.23Å; Q114-M221 HydrophobicContact CG-CB 4.39Å; Y213-M221 HydrophobicContact CD1-CE 4.26Å; Y213-M221 HydrophobicContact CD1-CG 4.18Å; Y213-M221 HydrophobicContact CD1-SD 3.87Å; Y213-M221 HydrophobicContact CE1-CE 4.42Å; Y213-M221 HydrophobicContact CE1-SD 4.4Å; Y213-M221 HydrophobicContact CG-SD 4.33Å; L214-M221 WeakPolarHBondContact O-CA 2.87Å; L215-M221 HydrophobicContact CD2-CB 3.94Å; L215-M221 HydrophobicContact CD2-CG 3.71Å |
| 222 | H | 92.5 | Very high | 86.6 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.9 | 177.2 | -61.1 | -69.2 | 0 | 0 | 0 | 110 | Y213 L214 Y220 | Y213-H222 CarbonylContact C-O 3.42Å; Y213-H222 WeakPolarHBondContact CA-O 3.44Å; L214-H222 PolarHBondContact N-O 3.41Å; L214-H222 PolarHBondContact O-N 3.05Å; Y220-H222 WeakPolarHBondContact CB-NE2 3.45Å |
| 223 | E | 94.1 | Very high | 84.3 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.2 | 170.8 | -169 | -177.2 | -168.9 | 0 | 0 | 109.5 | F211 Q212 Y213 K225 | F211-E223 WeakPolarHBondContact CD1-OE1 3.17Å; Q212-E223 CarbonylContact O-C 3.56Å; Q212-E223 WeakPolarHBondContact O-CA 3.45Å; Y213-E223 HydrophobicContact CD1-CB 3.92Å; Y213-E223 HydrophobicContact CD1-CG 4.04Å; Y213-E223 HydrophobicContact CE1-CB 3.93Å; Y213-E223 HydrophobicContact CE1-CG 3.78Å; E223-K225 HydrophobicContact CG-CD 4.46Å; E223-K225 PolarHBondContact O-N 2.81Å; E223-K225 VanDerWaalsContact OE1-CE 3.31Å; E223-K225 WeakPolarHBondContact OE1-CE 3.38Å; E223-K225 IonicContact OE1-NZ 3.16Å; E223-K225 PolarHBondContact OE1-NZ 3.29Å; E223-K225 WeakPolarHBondContact OE2-CE 3.16Å; E223-K225 IonicContact OE2-NZ 2.73Å; E223-K225 PolarHBondContact OE2-NZ 3.14Å; E223-K225 VanDerWaalsContact OE2-NZ 3.16Å |
| 224 | L | 92.6 | Very high | 81.5 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | trans | -76.3 | 124 | 178.9 | -165.6 | 67.1 | 0 | 0 | 0 | 109.6 | Q212 L214 | Q212-L224 HydrophobicContact CB-CB 4.21Å; Q212-L224 HydrophobicContact CG-CB 4.04Å; Q212-L224 HydrophobicContact CG-CD2 4.21Å; Q212-L224 PolarHBondContact O-N 2.83Å; L214-L224 HydrophobicContact CD1-CD1 4.12Å | ||
| 225 | K | 90.1 | Very high | 78.5 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | trans | -126.4 | 134.2 | 179.4 | -65.6 | -64.5 | -170 | -165.3 | 0 | 110.4 | E223 | E223-K225 HydrophobicContact CG-CD 4.46Å; E223-K225 PolarHBondContact O-N 2.81Å; E223-K225 VanDerWaalsContact OE1-CE 3.31Å; E223-K225 WeakPolarHBondContact OE1-CE 3.38Å; E223-K225 IonicContact OE1-NZ 3.16Å; E223-K225 PolarHBondContact OE1-NZ 3.29Å; E223-K225 WeakPolarHBondContact OE2-CE 3.16Å; E223-K225 IonicContact OE2-NZ 2.73Å; E223-K225 PolarHBondContact OE2-NZ 3.14Å; E223-K225 VanDerWaalsContact OE2-NZ 3.16Å | ||
| 226 | P | 88.6 | Confident | 75.4 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | trans | -67.8 | 151.1 | 173.8 | 30 | -34.7 | 0 | 0 | 0 | 110.5 | R277 | P226-R277 PolarHBondContact O-NE 3.26Å; P226-R277 VanDerWaalsContact O-NE 3.08Å | ||
| 227 | L | 89.9 | Confident | 72.8 | Confident | 71 Ų | 71 | 88.7 Ų | 88.7 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | trans | -88.1 | 145.7 | 167 | -57.3 | -178.1 | 0 | 0 | 0 | 109.2 | V272 R277 F303 L305 | L227-V272 HydrophobicContact CD1-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG1 3.91Å; L227-R277 HydrophobicContact CD2-CB 4.08Å; L227-F303 HydrophobicContact CD1-CZ 4.22Å; L227-F303 HydrophobicContact CD2-CZ 4.16Å; L227-L305 HydrophobicContact CD1-CD2 4.03Å | ||
| 228 | F | 88.3 | Confident | 70.1 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 111.6 | 178.6 | -60.6 | -71.9 | 0 | 0 | 0 | 109.4 | R277 H278 A279 | F228-R277 HydrophobicContact CD2-CB 4.17Å; F228-R277 PolarHBondContact N-O 3.11Å; F228-H278 WeakPolarHBondContact CB-CD2 3.4Å; F228-H278 CarbonylContact O-C 3.55Å; F228-H278 WeakPolarHBondContact O-CA 3.35Å; F228-A279 PolarHBondContact O-N 2.81Å |
| 229 | M | 83.8 | Confident | 67.2 | Low | 90 Ų | 90 | 89.7 Ų | 89.7 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.3 | 175.6 | -56.2 | -173.7 | 75.1 | 0 | 0 | 109.1 | A231 R259 A279 L305 | M229-A231 PolarHBondContact O-N 2.75Å; M229-R259 VanDerWaalsContact CB-NH1 3.35Å; M229-R259 PolarHBondContact O-NH1 2.86Å; M229-A279 HydrophobicContact CG-CB 4.18Å; M229-L305 HydrophobicContact CE-CD1 4.12Å |
| 230 | S | 67.1 | Low | 64.6 | Low | 26 Ų | 26 | 97.7 Ų | 97.7 | 18% | 0.182 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -64.4 | 117.5 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | R259 | S230-R259 WeakPolarHBondContact O-CD 3.28Å; S230-R259 PolarHBondContact O-NE 3.43Å; S230-R259 PolarHBondContact O-NH1 2.81Å |
| 231 | A | 58.4 | Low | 61.7 | Low | 83 Ų | 83 | 99.3 Ų | 99.3 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 124.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | M229 | M229-A231 PolarHBondContact O-N 2.75Š|
| 232 | E | 50.1 | Low | 58.7 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 129.1 | 161.7 | -75.8 | -173.8 | 180 | 0 | 0 | 107.9 | S234 | E232-S234 PolarHBondContact O-N 2.92Š|
| 233 | G | 47.8 | Very low | 55.8 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 87% | 0.866 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -70 | 120.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 234 | S | 37.9 | Very low | 52.8 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 137.9 | 139.2 | 50.3 | 0 | 0 | 0 | 0 | 107.5 | E232 | E232-S234 PolarHBondContact O-N 2.92Š|
| 235 | G | 31.4 | Very low | 49.8 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 163.8 | -158.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 236 | E | 29.7 | Very low | 47.7 | Very low | 188 Ų | 188 | 118.3 Ų | 118.3 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | trans | 3 | 150.1 | 169.5 | -64.2 | -174.1 | 151.1 | 0 | 0 | 122.8 | A238 | E236-A238 PolarHBondContact O-N 2.9Š| ||
| 237 | P | 38.8 | Very low | 44.7 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | trans | -81.8 | 110.2 | 170.2 | 33.8 | -28.8 | 0 | 0 | 0 | 110.8 | ||||
| 238 | A | 31.7 | Very low | 41.9 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -106.6 | 127.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E236 | E236-A238 PolarHBondContact O-N 2.9Š| ||
| 239 | G | 27.8 | Very low | 39 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -72.7 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 240 | E | 32.7 | Very low | 36.9 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 65.7 | 116.9 | 147.7 | -66.7 | -174.1 | -177 | 0 | 0 | 121 | ||||
| 241 | Q | 31 | Very low | 35.1 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 79.8 | 113.2 | 145.7 | -60.8 | 175.5 | 15.8 | 0 | 0 | 119.8 | ||||
| 242 | M | 29.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | 178.4 | 145.7 | 113.5 | -170.4 | 61.6 | 75.4 | 0 | 0 | 111.5 | |||||
| 243 | E | 31.2 | Very low | 32.7 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 160.8 | -164.7 | -48.1 | -175.6 | 127.7 | 0 | 0 | 117.4 | ||||
| 244 | R | 31.3 | Very low | 32.2 | Very low | 222 Ų | 222 | 143.7 Ų | 143.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 53.2 | 121.9 | 143.5 | -110.8 | 168.5 | 175.6 | 122.3 | 0.5 | 119.4 | ||||
| 245 | S | 29.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | -177.2 | 161.5 | 80.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 246 | P | 45.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -102.5 | 140.9 | -171.6 | 37.4 | -27.3 | 0 | 0 | 0 | 113.4 | ||||
| 247 | D | 26.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 172.8 | 146 | 135.2 | -164.9 | 22.4 | 0 | 0 | 0 | 110.9 | ||||
| 248 | R | 30.8 | Very low | 34.3 | Very low | 225 Ų | 225 | 145.4 Ų | 145.4 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | 66.5 | 115.4 | 164 | -82.3 | 168.6 | -164.6 | -95.7 | -5.3 | 121.2 | ||||
| 249 | G | 27.8 | Very low | 36.4 | Very low | 63 Ų | 63 | 144.5 Ų | 144.5 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | 148.6 | 99.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S251 | G249-S251 VanDerWaalsContact C-N 3.31Å; G249-S251 PolarHBondContact O-N 2.75Å | ||
| 250 | E | 38.8 | Very low | 39.3 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 95% | 0.953 | 72% | 0.72 | S | S | * | * | trans | -48.9 | 96.5 | 163 | -65.9 | 173.6 | 157 | 0 | 0 | 109 | N252 | E250-N252 VanDerWaalsContact C-N 3.34Å; E250-N252 PolarHBondContact O-N 3.1Å | ||
| 251 | S | 29.4 | Very low | 42.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -88.5 | 83.4 | 176.2 | 36.2 | 0 | 0 | 0 | 0 | 107.8 | G249 W253 | G249-S251 VanDerWaalsContact C-N 3.31Å; G249-S251 PolarHBondContact O-N 2.75Å; S251-W253 PolarHBondContact O-N 3.26Å; S251-W253 VanDerWaalsContact O-N 3.15Å | ||
| 252 | N | 27.4 | Very low | 45 | Very low | 109 Ų | 109 | 129 Ų | 129 | 58% | 0.583 | 66% | 0.656 | S | S | * | * | trans | 5.2 | 96.6 | 140.2 | -164.4 | 36.7 | 0 | 0 | 0 | 114.5 | E250 S254 | E250-N252 VanDerWaalsContact C-N 3.34Å; E250-N252 PolarHBondContact O-N 3.1Å; N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 WeakPolarHBondContact OD1-CB 3.44Å; N252-S254 PolarHBondContact OD1-OG 2.79Å | ||
| 253 | W | 32.2 | Very low | 48 | Very low | 264 Ų | 264 | 124 Ų | 124 | 100% | 1 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 32.8 | 172.8 | -75.4 | 101.9 | 0 | 0 | 0 | 113.9 | S251 | S251-W253 PolarHBondContact O-N 3.26Å; S251-W253 VanDerWaalsContact O-N 3.15Å |
| 254 | S | 36 | Very low | 50.9 | Low | 82 Ų | 82 | 119 Ų | 119 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 0.2 | -164.3 | -47.8 | 0 | 0 | 0 | 0 | 115.5 | N252 | N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 WeakPolarHBondContact OD1-CB 3.44Å; N252-S254 PolarHBondContact OD1-OG 2.79Å |
| 255 | E | 39.4 | Very low | 53.8 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | trans | -144.8 | 57.6 | -170.9 | -67.1 | -176.5 | 161.5 | 0 | 0 | 113.1 | ||||
| 256 | E | 41.3 | Very low | 56.6 | Low | 191 Ų | 191 | 116.9 Ų | 116.9 | 89% | 0.893 | 61% | 0.609 | S | S | * | * | trans | -92.8 | 95.5 | 158.5 | -136.2 | -179.2 | -164.9 | 0 | 0 | 108 | G258 | E256-G258 PolarHBondContact O-N 3.44Å; E256-G258 VanDerWaalsContact O-N 3.15Å | ||
| 257 | M | 43.8 | Very low | 58.7 | Low | 152 Ų | 152 | 112.8 Ų | 112.8 | 75% | 0.749 | 59% | 0.585 | S | S | * | * | trans | -12.7 | 106.6 | 170.8 | -160.4 | 72.9 | 159.6 | 0 | 0 | 113.1 | R259 | M257-R259 PolarHBondContact O-N 2.87Š| ||
| 258 | G | 57.2 | Low | 61.8 | Low | 38 Ų | 38 | 108 Ų | 108 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | trans | -54.7 | 109.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | E256 N260 | E256-G258 PolarHBondContact O-N 3.44Å; E256-G258 VanDerWaalsContact O-N 3.15Å; G258-N260 PolarHBondContact O-N 3.13Å | ||
| 259 | R | 75.9 | Confident | 64.7 | Low | 82 Ų | 82 | 97.9 Ų | 97.9 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 141.5 | -176.8 | -71.3 | 149.7 | 177.1 | -145 | 11.8 | 109.8 | M229 S230 M257 V269 | M229-R259 VanDerWaalsContact CB-NH1 3.35Å; M229-R259 PolarHBondContact O-NH1 2.86Å; S230-R259 WeakPolarHBondContact O-CD 3.28Å; S230-R259 PolarHBondContact O-NE 3.43Å; S230-R259 PolarHBondContact O-NH1 2.81Å; M257-R259 PolarHBondContact O-N 2.87Å; R259-V269 HydrophobicContact CB-CG2 4.44Å; R259-V269 WeakPolarHBondContact O-CG2 3.23Å; R259-V269 PolarHBondContact O-N 2.66Å |
| 260 | N | 89.6 | Confident | 67.7 | Low | 46 Ų | 46 | 95.9 Ų | 95.9 | 25% | 0.246 | 51% | 0.505 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 146.7 | 179.9 | -67.3 | -45.9 | 0 | 0 | 0 | 110.6 | G258 V262 | G258-N260 PolarHBondContact O-N 3.13Å; N260-V262 PolarHBondContact O-N 2.86Å |
| 261 | C | 91.7 | Very high | 70.2 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 127 | 171.6 | 172.1 | 0 | 0 | 0 | 0 | 109.5 | V263 Q265 A267 C282 C285 | C261-V263 PolarHBondContact O-N 3.28Å; C261-V263 VanDerWaalsContact O-N 3.09Å; C261-Q265 WeakPolarHBondContact O-CA 3.48Å; C261-Q265 PolarHBondContact O-N 2.77Å; C261-A267 WeakPolarHBondContact CB-O 3.16Å; C261-A267 PolarHBondContact N-O 3.49Å; C261-C282 HydrophobicContact CB-CB 3.99Å; C261-C282 PolarHBondContact SG-N 3.05Å; C261-C282 VanDerWaalsContact SG-N 3.38Å; C261-C285 VanDerWaalsContact SG-SG 3.61Å |
| 262 | V | 92.1 | Very high | 73.3 | Confident | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.8 | -176.7 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | N260 C280 V281 P293 I294 | N260-V262 PolarHBondContact O-N 2.86Å; V262-C280 HydrophobicContact CG1-CB 4.21Å; V262-C280 HydrophobicContact CG2-CB 4.2Å; V262-C280 WeakPolarHBondContact CG2-O 3.38Å; V262-C280 PolarHBondContact N-O 2.93Å; V262-V281 HydrophobicContact CG2-CG1 4.37Å; V262-P293 HydrophobicContact CG2-CB 3.82Å; V262-P293 HydrophobicContact CG2-CG 4.27Å; V262-I294 HydrophobicContact CG1-CD1 4.23Å; V262-I294 HydrophobicContact CG2-CD1 4.39Å |
| 263 | V | 92 | Very high | 76.4 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -57.4 | -178.7 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | C261 V281 C285 F289 P293 | C261-V263 PolarHBondContact O-N 3.28Å; C261-V263 VanDerWaalsContact O-N 3.09Å; V263-V281 HydrophobicContact CG2-CG1 4.01Å; V263-C285 HydrophobicContact CB-CB 4Å; V263-C285 HydrophobicContact CG1-CB 4.17Å; V263-C285 HydrophobicContact CG2-CB 4.44Å; V263-F289 HydrophobicContact CG2-CE1 3.93Å; V263-P293 HydrophobicContact CG2-CG 4.01Å |
| 264 | C | 92.8 | Very high | 79.3 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -16.9 | -178 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | N266 A267 C285 | C264-N266 PolarHBondContact O-N 2.79Å; C264-A267 PolarHBondContact SG-N 3.08Å; C264-A267 VanDerWaalsContact SG-N 3.45Å; C264-C285 VanDerWaalsContact CB-SG 3.59Å |
| 265 | Q | 90.7 | Very high | 82.1 | Confident | 151 Ų | 151 | 66.6 Ų | 66.6 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 52.8 | 21.6 | -176.7 | -57.4 | 179.9 | 14.5 | 0 | 0 | 114.4 | C261 | C261-Q265 WeakPolarHBondContact O-CA 3.48Å; C261-Q265 PolarHBondContact O-N 2.77Å |
| 266 | N | 88.9 | Confident | 84.7 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -125.1 | -46.9 | -173 | -178.5 | 48.6 | 0 | 0 | 0 | 112.3 | C264 | C264-N266 PolarHBondContact O-N 2.79Š|
| 267 | A | 89.7 | Confident | 87.2 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 31% | 0.306 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -90.5 | 148.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C261 C264 C282 | C261-A267 WeakPolarHBondContact CB-O 3.16Å; C261-A267 PolarHBondContact N-O 3.49Å; C264-A267 PolarHBondContact SG-N 3.08Å; C264-A267 VanDerWaalsContact SG-N 3.45Å; A267-C282 HydrophobicContact CB-CB 3.78Å |
| 268 | A | 90.6 | Very high | 89.5 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 149.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | S270 C282 | A268-S270 PolarHBondContact O-N 2.92Å; A268-C282 WeakPolarHBondContact O-CB 3.4Å |
| 269 | V | 91.7 | Very high | 91.2 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.4 | 170.8 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | R259 A279 L305 | R259-V269 HydrophobicContact CB-CG2 4.44Å; R259-V269 WeakPolarHBondContact O-CG2 3.23Å; R259-V269 PolarHBondContact O-N 2.66Å; V269-A279 HydrophobicContact CG1-CB 3.93Å; V269-L305 HydrophobicContact CG1-CD1 3.81Å |
| 270 | S | 91.4 | Very high | 92 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | trans | -129.1 | -12.7 | -179.6 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | A268 V281 C282 D283 S304 L305 | A268-S270 PolarHBondContact O-N 2.92Å; S270-V281 PolarHBondContact N-O 3.26Å; S270-C282 WeakPolarHBondContact OG-CA 3.42Å; S270-D283 PolarHBondContact OG-N 3.1Å; S270-D283 PolarHBondContact OG-OD1 2.81Å; S270-S304 CarbonylContact O-C 3.43Å; S270-S304 WeakPolarHBondContact O-CA 3Å; S270-L305 PolarHBondContact O-N 3.02Å | ||
| 271 | R | 91.2 | Very high | 92.2 | Very high | 34 Ų | 34 | 40 Ų | 40 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.6 | -176.7 | -65.6 | -66.7 | -178.4 | 175.4 | -3.5 | 112.6 | E58 A279 V281 D283 M286 F303 | E58-R271 IonicContact OE1-CZ 3.16Å; E58-R271 IonicContact OE1-NH1 2.74Å; E58-R271 PolarHBondContact OE1-NH1 3.36Å; E58-R271 IonicContact OE1-NH2 3.38Å; E58-R271 IonicContact OE2-NH1 3.62Å; E58-R271 IonicContact OE2-NH2 3.92Å; R271-A279 VanDerWaalsContact O-CA 3.31Å; R271-A279 WeakPolarHBondContact O-CA 3.13Å; R271-V281 HydrophobicContact CB-CG2 4.02Å; R271-V281 PolarHBondContact N-O 2.68Å; R271-D283 VanDerWaalsContact CD-OD1 3.29Å; R271-D283 WeakPolarHBondContact CD-OD1 3.33Å; R271-D283 VanDerWaalsContact CG-OD1 3.25Å; R271-D283 WeakPolarHBondContact CG-OD1 3.36Å; R271-D283 IonicContact CZ-OD1 2.58Å; R271-D283 IonicContact NE-OD1 2.7Å; R271-D283 PolarHBondContact NE-OD1 2.76Å; R271-D283 IonicContact NH2-OD1 3.82Å; R271-M286 HydrophobicContact CG-CB 4.39Å; R271-F303 WeakPolarHBondContact CA-O 3.37Å |
| 272 | V | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | L227 A279 S302 F303 L305 | L227-V272 HydrophobicContact CD1-CG2 4.1Å; L227-V272 HydrophobicContact CD2-CG1 3.91Å; V272-A279 HydrophobicContact CG2-CB 3.89Å; V272-S302 WeakPolarHBondContact O-CA 3.08Å; V272-S302 WeakPolarHBondContact O-CB 3.34Å; V272-F303 HydrophobicContact CB-CD1 3.96Å; V272-F303 HydrophobicContact CB-CD2 4.17Å; V272-F303 HydrophobicContact CB-CE1 3.55Å; V272-F303 HydrophobicContact CB-CE2 3.78Å; V272-F303 HydrophobicContact CB-CG 4.25Å; V272-F303 HydrophobicContact CB-CZ 3.46Å; V272-F303 VanDerWaalsContact CB-CZ 3.46Å; V272-F303 HydrophobicContact CG1-CD1 4.35Å; V272-F303 HydrophobicContact CG1-CE1 3.57Å; V272-F303 HydrophobicContact CG1-CE2 4.39Å; V272-F303 HydrophobicContact CG1-CZ 3.6Å; V272-F303 HydrophobicContact CG2-CD2 4.06Å; V272-F303 HydrophobicContact CG2-CE1 4.12Å; V272-F303 HydrophobicContact CG2-CE2 3.44Å; V272-F303 VanDerWaalsContact CG2-CE2 3.44Å; V272-F303 HydrophobicContact CG2-CZ 3.48Å; V272-F303 VanDerWaalsContact CG2-CZ 3.48Å; V272-F303 PolarHBondContact N-O 3.15Å; V272-F303 PolarHBondContact O-N 2.87Å; V272-F303 VanDerWaalsContact O-N 3.14Å; V272-L305 HydrophobicContact CG2-CD2 3.28Å; V272-L305 HydrophobicContact CG2-CG 3.58Å |
| 273 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.4 | -178.9 | -52.9 | -179.6 | 0 | 0 | 0 | 110.5 | R277 H278 V281 M286 F289 C292 V299 | L273-R277 VanDerWaalsContact O-CA 3.23Å; L273-R277 WeakPolarHBondContact O-CA 3.2Å; L273-R277 PolarHBondContact O-N 3.13Å; L273-H278 PolarHBondContact N-O 3.39Å; L273-V281 HydrophobicContact CD1-CG2 4.32Å; L273-V281 HydrophobicContact CD2-CG2 4.02Å; L273-V281 HydrophobicContact CG-CG2 4.36Å; L273-M286 HydrophobicContact CD2-CG 4.41Å; L273-F289 HydrophobicContact CD1-CE2 4.32Å; L273-C292 HydrophobicContact CD1-CB 3.91Å; L273-V299 HydrophobicContact CB-CG1 4.17Å; L273-V299 HydrophobicContact CB-CG2 4.25Å; L273-V299 HydrophobicContact CD1-CG2 4.01Å; L273-V299 HydrophobicContact CD2-CG1 3.93Å; L273-V299 HydrophobicContact CD2-CG2 4.31Å; L273-V299 HydrophobicContact CG-CG2 4.41Å |
| 274 | L | 93.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.2 | 175.9 | -63.2 | 178.9 | 0 | 0 | 0 | 110.7 | K59 R277 L300 E301 F303 | K59-L274 HydrophobicContact CD-CD1 4.23Å; L274-R277 HydrophobicContact CD2-CG 4.33Å; L274-L300 PolarHBondContact O-N 2.79Å; L274-E301 HydrophobicContact CB-CB 4.08Å; L274-E301 WeakPolarHBondContact CB-O 3Å; L274-E301 HydrophobicContact CD1-CB 4.07Å; L274-E301 PolarHBondContact N-O 2.77Å; L274-F303 HydrophobicContact CD1-CD1 4.16Å; L274-F303 HydrophobicContact CD1-CE1 4.46Å; L274-F303 HydrophobicContact CD2-CE1 4.14Å; L274-F303 HydrophobicContact CG-CD1 4.31Å; L274-F303 HydrophobicContact CG-CE1 4.37Å |
| 275 | P | 93 | Very high | 92.1 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.9 | -1.2 | 8.2 | 35.1 | -35.4 | 0 | 0 | 0 | 114.6 | R277 L300 | P275-R277 VanDerWaalsContact C-N 3.29Å; P275-R277 PolarHBondContact O-N 3.02Å; P275-L300 HydrophobicContact CG-CD1 4.36Å |
| 276 | C | 93.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.4 | -171 | 69.7 | 0 | 0 | 0 | 0 | 115.1 | H278 C295 A297 | C276-H278 PolarHBondContact O-N 2.88Å; C276-C295 WeakPolarHBondContact CB-SG 3.25Å; C276-A297 HydrophobicContact CB-CB 4.03Å |
| 277 | R | 94.3 | Very high | 92 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 20 | 179.2 | -52.4 | -174.4 | -62.5 | -98.9 | -3.1 | 115.2 | P226 L227 F228 L273 L274 P275 | P226-R277 PolarHBondContact O-NE 3.26Å; P226-R277 VanDerWaalsContact O-NE 3.08Å; L227-R277 HydrophobicContact CD2-CB 4.08Å; F228-R277 HydrophobicContact CD2-CB 4.17Å; F228-R277 PolarHBondContact N-O 3.11Å; L273-R277 VanDerWaalsContact O-CA 3.23Å; L273-R277 WeakPolarHBondContact O-CA 3.2Å; L273-R277 PolarHBondContact O-N 3.13Å; L274-R277 HydrophobicContact CD2-CG 4.33Å; P275-R277 VanDerWaalsContact C-N 3.29Å; P275-R277 PolarHBondContact O-N 3.02Å |
| 278 | H | 93.1 | Very high | 92 | Very high | 32 Ų | 32 | 37 Ų | 37 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126 | 174.1 | -73.9 | 107.3 | 0 | 0 | 0 | 110.9 | F228 L273 C276 C295 | F228-H278 WeakPolarHBondContact CB-CD2 3.4Å; F228-H278 CarbonylContact O-C 3.55Å; F228-H278 WeakPolarHBondContact O-CA 3.35Å; L273-H278 PolarHBondContact N-O 3.39Å; C276-H278 PolarHBondContact O-N 2.88Å; H278-C295 PolarHBondContact ND1-SG 3.41Å; H278-C295 VanDerWaalsContact ND1-SG 3.41Å |
| 279 | A | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 95.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F228 M229 V269 R271 V272 L305 | F228-A279 PolarHBondContact O-N 2.81Å; M229-A279 HydrophobicContact CG-CB 4.18Å; V269-A279 HydrophobicContact CG1-CB 3.93Å; R271-A279 VanDerWaalsContact O-CA 3.31Å; R271-A279 WeakPolarHBondContact O-CA 3.13Å; V272-A279 HydrophobicContact CG2-CB 3.89Å; A279-L305 HydrophobicContact CB-CD1 3.83Å; A279-L305 HydrophobicContact CB-CD2 4.22Å; A279-L305 HydrophobicContact CB-CG 4.23Å |
| 280 | C | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -3.6 | -170.3 | 55.2 | 0 | 0 | 0 | 0 | 114 | V262 I294 | V262-C280 HydrophobicContact CG1-CB 4.21Å; V262-C280 HydrophobicContact CG2-CB 4.2Å; V262-C280 WeakPolarHBondContact CG2-O 3.38Å; V262-C280 PolarHBondContact N-O 2.93Å; C280-I294 HydrophobicContact CB-CD1 4.27Å; C280-I294 HydrophobicContact CB-CG1 3.76Å |
| 281 | V | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.9 | -171.3 | -60 | 0 | 0 | 0 | 0 | 112.4 | V262 V263 S270 R271 L273 M286 F289 P293 | V262-V281 HydrophobicContact CG2-CG1 4.37Å; V263-V281 HydrophobicContact CG2-CG1 4.01Å; S270-V281 PolarHBondContact N-O 3.26Å; R271-V281 HydrophobicContact CB-CG2 4.02Å; R271-V281 PolarHBondContact N-O 2.68Å; L273-V281 HydrophobicContact CD1-CG2 4.32Å; L273-V281 HydrophobicContact CD2-CG2 4.02Å; L273-V281 HydrophobicContact CG-CG2 4.36Å; V281-M286 HydrophobicContact CG2-CB 4.33Å; V281-F289 HydrophobicContact CB-CZ 3.9Å; V281-F289 HydrophobicContact CG1-CE1 4.2Å; V281-F289 HydrophobicContact CG1-CE2 4.39Å; V281-F289 HydrophobicContact CG1-CZ 3.56Å; V281-F289 HydrophobicContact CG2-CE2 4.48Å; V281-F289 HydrophobicContact CG2-CZ 3.88Å; V281-P293 HydrophobicContact CG1-CG 3.88Å |
| 282 | C | 92.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | trans | -89.3 | 166.5 | 171.6 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | C261 A267 A268 S270 S284 C285 M286 | C261-C282 HydrophobicContact CB-CB 3.99Å; C261-C282 PolarHBondContact SG-N 3.05Å; C261-C282 VanDerWaalsContact SG-N 3.38Å; A267-C282 HydrophobicContact CB-CB 3.78Å; A268-C282 WeakPolarHBondContact O-CB 3.4Å; S270-C282 WeakPolarHBondContact OG-CA 3.42Å; C282-S284 VanDerWaalsContact C-N 3.32Å; C282-S284 PolarHBondContact O-N 3.09Å; C282-C285 PolarHBondContact O-N 3.2Å; C282-C285 PolarHBondContact SG-N 3.49Å; C282-C285 PolarHBondContact SG-SG 3.38Å; C282-M286 PolarHBondContact O-N 2.94Å; C282-M286 VanDerWaalsContact O-N 3.09Å | ||
| 283 | D | 91.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 45 Ų | 45 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.5 | -45.5 | -178.4 | -61.7 | -20.7 | 0 | 0 | 0 | 112.4 | S270 R271 | S270-D283 PolarHBondContact OG-N 3.1Å; S270-D283 PolarHBondContact OG-OD1 2.81Å; R271-D283 VanDerWaalsContact CD-OD1 3.29Å; R271-D283 WeakPolarHBondContact CD-OD1 3.33Å; R271-D283 VanDerWaalsContact CG-OD1 3.25Å; R271-D283 WeakPolarHBondContact CG-OD1 3.36Å; R271-D283 IonicContact CZ-OD1 2.58Å; R271-D283 IonicContact NE-OD1 2.7Å; R271-D283 PolarHBondContact NE-OD1 2.76Å; R271-D283 IonicContact NH2-OD1 3.82Å |
| 284 | S | 91.4 | Very high | 91.7 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 57% | 0.573 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.6 | -41 | -179 | -46.8 | 0 | 0 | 0 | 0 | 112.1 | C282 H288 | C282-S284 VanDerWaalsContact C-N 3.32Å; C282-S284 PolarHBondContact O-N 3.09Å; S284-H288 PolarHBondContact O-CE1 2.63Å; S284-H288 PolarHBondContact O-ND1 2.93Å |
| 285 | C | 92.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.095 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.3 | -35.1 | -177.4 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | C261 V263 C264 C282 L287 H288 F289 | C261-C285 VanDerWaalsContact SG-SG 3.61Å; V263-C285 HydrophobicContact CB-CB 4Å; V263-C285 HydrophobicContact CG1-CB 4.17Å; V263-C285 HydrophobicContact CG2-CB 4.44Å; C264-C285 VanDerWaalsContact CB-SG 3.59Å; C282-C285 PolarHBondContact O-N 3.2Å; C282-C285 PolarHBondContact SG-N 3.49Å; C282-C285 PolarHBondContact SG-SG 3.38Å; C285-L287 PolarHBondContact O-N 3.38Å; C285-L287 VanDerWaalsContact O-N 3.1Å; C285-H288 PolarHBondContact O-N 3.33Å; C285-H288 PolarHBondContact O-ND1 3.07Å; C285-F289 HydrophobicContact CB-CE1 4.3Å; C285-F289 WeakPolarHBondContact O-CD1 3.31Å; C285-F289 WeakPolarHBondContact O-CE1 3.33Å |
| 286 | M | 90 | Very high | 91.7 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.2 | -35.3 | -178.3 | -176.4 | -81.4 | -134.4 | 0 | 0 | 113.3 | T56 R271 L273 V281 C282 H288 F289 S302 | T56-M286 VanDerWaalsContact CB-CE 3.45Å; T56-M286 HydrophobicContact CG2-CE 4.27Å; R271-M286 HydrophobicContact CG-CB 4.39Å; L273-M286 HydrophobicContact CD2-CG 4.41Å; V281-M286 HydrophobicContact CG2-CB 4.33Å; C282-M286 PolarHBondContact O-N 2.94Å; C282-M286 VanDerWaalsContact O-N 3.09Å; M286-H288 PolarHBondContact O-N 2.75Å; M286-H288 VanDerWaalsContact O-N 3.08Å; M286-F289 HydrophobicContact CB-CZ 4.47Å; M286-S302 WeakPolarHBondContact CE-OG 3.21Å |
| 287 | L | 88.1 | Confident | 91.7 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.2 | -178.3 | -57.6 | 176.9 | 0 | 0 | 0 | 114.5 | C285 | C285-L287 PolarHBondContact O-N 3.38Å; C285-L287 VanDerWaalsContact O-N 3.1Å |
| 288 | H | 88.5 | Confident | 91.7 | Very high | 153 Ų | 153 | 57.9 Ų | 57.9 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -0.6 | -170.4 | -56.9 | 88 | 0 | 0 | 0 | 113.9 | S284 C285 M286 | S284-H288 PolarHBondContact O-CE1 2.63Å; S284-H288 PolarHBondContact O-ND1 2.93Å; C285-H288 PolarHBondContact O-N 3.33Å; C285-H288 PolarHBondContact O-ND1 3.07Å; M286-H288 PolarHBondContact O-N 2.75Å; M286-H288 VanDerWaalsContact O-N 3.08Å |
| 289 | F | 85.1 | Confident | 91.7 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | trans | -150.6 | 155.9 | -179.1 | 54.1 | -97.1 | 0 | 0 | 0 | 112.7 | V263 L273 V281 C285 M286 H291 P293 | V263-F289 HydrophobicContact CG2-CE1 3.93Å; L273-F289 HydrophobicContact CD1-CE2 4.32Å; V281-F289 HydrophobicContact CB-CZ 3.9Å; V281-F289 HydrophobicContact CG1-CE1 4.2Å; V281-F289 HydrophobicContact CG1-CE2 4.39Å; V281-F289 HydrophobicContact CG1-CZ 3.56Å; V281-F289 HydrophobicContact CG2-CE2 4.48Å; V281-F289 HydrophobicContact CG2-CZ 3.88Å; C285-F289 HydrophobicContact CB-CE1 4.3Å; C285-F289 WeakPolarHBondContact O-CD1 3.31Å; C285-F289 WeakPolarHBondContact O-CE1 3.33Å; M286-F289 HydrophobicContact CB-CZ 4.47Å; F289-H291 WeakPolarHBondContact CD2-O 3.49Å; F289-P293 HydrophobicContact CE1-CG 4.41Å; F289-P293 HydrophobicContact CE2-CG 4.2Å; F289-P293 HydrophobicContact CZ-CG 4.16Å | ||
| 290 | Q | 88.7 | Confident | 91.6 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -109.2 | -3.3 | 176.8 | -64.9 | -179.4 | -10 | 0 | 0 | 113.1 | F298 V299 | Q290-F298 HydrophobicContact CB-CD2 4.42Å; Q290-F298 HydrophobicContact CB-CE2 3.86Å; Q290-F298 HydrophobicContact CB-CZ 4.35Å; Q290-V299 PolarHBondContact O-N 3.32Å |
| 291 | H | 92.7 | Very high | 91.7 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -121.2 | 141.5 | -179.6 | -64.6 | 86.4 | 0 | 0 | 0 | 110.3 | F289 P293 R296 A297 F298 | F289-H291 WeakPolarHBondContact CD2-O 3.49Å; H291-P293 WeakPolarHBondContact O-CD 3.29Å; H291-R296 PolarHBondContact CD2-O 3.34Å; H291-R296 VanDerWaalsContact CD2-O 3.27Å; H291-A297 CarbonylContact C-O 3.57Å; H291-A297 WeakPolarHBondContact CA-O 3.4Å; H291-F298 AromaticContact CE1-CD2 3.92Å; H291-F298 AromaticContact NE2-CD2 3.68Å |
| 292 | C | 93.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | trans | -60.4 | 125.8 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L273 I294 C295 R296 A297 | L273-C292 HydrophobicContact CD1-CB 3.91Å; C292-I294 PolarHBondContact O-N 3.09Å; C292-I294 VanDerWaalsContact O-N 3.13Å; C292-C295 VanDerWaalsContact SG-SG 3.66Å; C292-R296 WeakPolarHBondContact O-CA 3.36Å; C292-R296 PolarHBondContact O-N 3.01Å; C292-A297 PolarHBondContact N-O 3.45Å | ||
| 293 | P | 93.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.6 | 179.9 | -27.5 | 36.1 | 0 | 0 | 0 | 114.7 | V262 V263 V281 F289 H291 | V262-P293 HydrophobicContact CG2-CB 3.82Å; V262-P293 HydrophobicContact CG2-CG 4.27Å; V263-P293 HydrophobicContact CG2-CG 4.01Å; V281-P293 HydrophobicContact CG1-CG 3.88Å; F289-P293 HydrophobicContact CE1-CG 4.41Å; F289-P293 HydrophobicContact CE2-CG 4.2Å; F289-P293 HydrophobicContact CZ-CG 4.16Å; H291-P293 WeakPolarHBondContact O-CD 3.29Å |
| 294 | I | 91.8 | Very high | 91.6 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 41% | 0.41 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -55 | -177 | -56 | -59.4 | 0 | 0 | 0 | 111.5 | V262 C280 C292 | V262-I294 HydrophobicContact CG1-CD1 4.23Å; V262-I294 HydrophobicContact CG2-CD1 4.39Å; C280-I294 HydrophobicContact CB-CD1 4.27Å; C280-I294 HydrophobicContact CB-CG1 3.76Å; C292-I294 PolarHBondContact O-N 3.09Å; C292-I294 VanDerWaalsContact O-N 3.13Å |
| 295 | C | 93.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -1.6 | -172.5 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | C276 H278 C292 A297 | C276-C295 WeakPolarHBondContact CB-SG 3.25Å; H278-C295 PolarHBondContact ND1-SG 3.41Å; H278-C295 VanDerWaalsContact ND1-SG 3.41Å; C292-C295 VanDerWaalsContact SG-SG 3.66Å; C295-A297 PolarHBondContact O-N 3.45Å; C295-A297 VanDerWaalsContact SG-CB 3.59Å |
| 296 | R | 93.8 | Very high | 90.5 | Very high | 210 Ų | 210 | 69.2 Ų | 69.2 | 79% | 0.792 | 33% | 0.332 | S | S | * | . | trans | 60.3 | 10.7 | -178.5 | -51.3 | -179.8 | -178 | 174.4 | -0.5 | 115.2 | H291 C292 | H291-R296 PolarHBondContact CD2-O 3.34Å; H291-R296 VanDerWaalsContact CD2-O 3.27Å; C292-R296 WeakPolarHBondContact O-CA 3.36Å; C292-R296 PolarHBondContact O-N 3.01Å | ||
| 297 | A | 93.3 | Very high | 88.9 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -65.8 | 143.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | C276 H291 C292 C295 | C276-A297 HydrophobicContact CB-CB 4.03Å; H291-A297 CarbonylContact C-O 3.57Å; H291-A297 WeakPolarHBondContact CA-O 3.4Å; C292-A297 PolarHBondContact N-O 3.45Å; C295-A297 PolarHBondContact O-N 3.45Å; C295-A297 VanDerWaalsContact SG-CB 3.59Å | ||
| 298 | F | 94.1 | Very high | 87.2 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 134.3 | 173.8 | -167.1 | -91.5 | 0 | 0 | 0 | 110.5 | Q290 H291 L300 | Q290-F298 HydrophobicContact CB-CD2 4.42Å; Q290-F298 HydrophobicContact CB-CE2 3.86Å; Q290-F298 HydrophobicContact CB-CZ 4.35Å; H291-F298 AromaticContact CE1-CD2 3.92Å; H291-F298 AromaticContact NE2-CD2 3.68Å; F298-L300 HydrophobicContact CD1-CD2 3.61Å; F298-L300 HydrophobicContact CD1-CG 4.3Å; F298-L300 HydrophobicContact CE1-CD2 3.95Å |
| 299 | V | 93.8 | Very high | 84.9 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | trans | -88.1 | 111 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | T56 L273 Q290 | T56-V299 HydrophobicContact CG2-CG1 3.77Å; L273-V299 HydrophobicContact CB-CG1 4.17Å; L273-V299 HydrophobicContact CB-CG2 4.25Å; L273-V299 HydrophobicContact CD1-CG2 4.01Å; L273-V299 HydrophobicContact CD2-CG1 3.93Å; L273-V299 HydrophobicContact CD2-CG2 4.31Å; L273-V299 HydrophobicContact CG-CG2 4.41Å; Q290-V299 PolarHBondContact O-N 3.32Å | ||
| 300 | L | 92.1 | Very high | 82.6 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | trans | -88.2 | -43.6 | 179 | -63.4 | 175.5 | 0 | 0 | 0 | 111.6 | P57 L274 P275 F298 | P57-L300 VanDerWaalsContact CD-O 3.28Å; P57-L300 WeakPolarHBondContact CD-O 2.98Å; P57-L300 WeakPolarHBondContact CG-O 3.45Å; L274-L300 PolarHBondContact O-N 2.79Å; P275-L300 HydrophobicContact CG-CD1 4.36Å; F298-L300 HydrophobicContact CD1-CD2 3.61Å; F298-L300 HydrophobicContact CD1-CG 4.3Å; F298-L300 HydrophobicContact CE1-CD2 3.95Å | ||
| 301 | E | 92.7 | Very high | 79.9 | Confident | 76 Ų | 76 | 86.7 Ų | 86.7 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 162.7 | -177.4 | -70.3 | 173.5 | -173.9 | 0 | 0 | 108.9 | P57 K59 L274 | P57-E301 HydrophobicContact CG-CG 4.02Å; P57-E301 WeakPolarHBondContact O-CA 3.33Å; K59-E301 IonicContact NZ-OE2 3.16Å; L274-E301 HydrophobicContact CB-CB 4.08Å; L274-E301 WeakPolarHBondContact CB-O 3Å; L274-E301 HydrophobicContact CD1-CB 4.07Å; L274-E301 PolarHBondContact N-O 2.77Å |
| 302 | S | 92.5 | Very high | 79.3 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 160.2 | 170.1 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | P57 E58 K59 V272 M286 | P57-S302 PolarHBondContact O-N 3.5Å; P57-S302 VanDerWaalsContact O-N 3.1Å; E58-S302 CarbonylContact C-O 3.5Å; E58-S302 WeakPolarHBondContact CA-O 3.17Å; K59-S302 PolarHBondContact N-O 2.84Å; V272-S302 WeakPolarHBondContact O-CA 3.08Å; V272-S302 WeakPolarHBondContact O-CB 3.34Å; M286-S302 WeakPolarHBondContact CE-OG 3.21Å |
| 303 | F | 92.1 | Very high | 78.6 | Confident | 28 Ų | 28 | 90.6 Ų | 90.6 | 12% | 0.123 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.9 | 170.2 | 66.1 | -94 | 0 | 0 | 0 | 111.1 | K59 M61 L227 R271 V272 L274 | K59-F303 HydrophobicContact CB-CB 4.46Å; K59-F303 WeakPolarHBondContact O-CB 3.32Å; M61-F303 HydrophobicContact CB-CD2 3.94Å; M61-F303 HydrophobicContact CG-CD2 4.09Å; M61-F303 HydrophobicContact CG-CE2 4.25Å; M61-F303 HydrophobicContact SD-CD2 3.8Å; M61-F303 HydrophobicContact SD-CE2 3.63Å; L227-F303 HydrophobicContact CD1-CZ 4.22Å; L227-F303 HydrophobicContact CD2-CZ 4.16Å; R271-F303 WeakPolarHBondContact CA-O 3.37Å; V272-F303 HydrophobicContact CB-CD1 3.96Å; V272-F303 HydrophobicContact CB-CD2 4.17Å; V272-F303 HydrophobicContact CB-CE1 3.55Å; V272-F303 HydrophobicContact CB-CE2 3.78Å; V272-F303 HydrophobicContact CB-CG 4.25Å; V272-F303 HydrophobicContact CB-CZ 3.46Å; V272-F303 VanDerWaalsContact CB-CZ 3.46Å; V272-F303 HydrophobicContact CG1-CD1 4.35Å; V272-F303 HydrophobicContact CG1-CE1 3.57Å; V272-F303 HydrophobicContact CG1-CE2 4.39Å; V272-F303 HydrophobicContact CG1-CZ 3.6Å; V272-F303 HydrophobicContact CG2-CD2 4.06Å; V272-F303 HydrophobicContact CG2-CE1 4.12Å; V272-F303 HydrophobicContact CG2-CE2 3.44Å; V272-F303 VanDerWaalsContact CG2-CE2 3.44Å; V272-F303 HydrophobicContact CG2-CZ 3.48Å; V272-F303 VanDerWaalsContact CG2-CZ 3.48Å; V272-F303 PolarHBondContact N-O 3.15Å; V272-F303 PolarHBondContact O-N 2.87Å; V272-F303 VanDerWaalsContact O-N 3.14Å; L274-F303 HydrophobicContact CD1-CD1 4.16Å; L274-F303 HydrophobicContact CD1-CE1 4.46Å; L274-F303 HydrophobicContact CD2-CE1 4.14Å; L274-F303 HydrophobicContact CG-CD1 4.31Å; L274-F303 HydrophobicContact CG-CE1 4.37Å |
| 304 | S | 90.4 | Very high | 77.8 | Confident | 19 Ų | 19 | 92.7 Ų | 92.7 | 13% | 0.133 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.2 | 174.9 | 178 | 0 | 0 | 0 | 0 | 111.1 | M61 S270 R306 | M61-S304 WeakPolarHBondContact CE-O 3.44Å; S270-S304 CarbonylContact O-C 3.43Å; S270-S304 WeakPolarHBondContact O-CA 3Å; S304-R306 PolarHBondContact O-N 2.65Å; S304-R306 PolarHBondContact OG-N 2.82Å; S304-R306 PolarHBondContact OG-O 3.15Å |
| 305 | L | 84.8 | Confident | 76.9 | Confident | 41 Ų | 41 | 93.4 Ų | 93.4 | 22% | 0.215 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -64 | -28.7 | 174.7 | -87.5 | 179.5 | 0 | 0 | 0 | 113.1 | M61 L227 M229 V269 S270 V272 A279 | M61-L305 WeakPolarHBondContact CE-O 3.21Å; L227-L305 HydrophobicContact CD1-CD2 4.03Å; M229-L305 HydrophobicContact CE-CD1 4.12Å; V269-L305 HydrophobicContact CG1-CD1 3.81Å; S270-L305 PolarHBondContact O-N 3.02Å; V272-L305 HydrophobicContact CG2-CD2 3.28Å; V272-L305 HydrophobicContact CG2-CG 3.58Å; A279-L305 HydrophobicContact CB-CD1 3.83Å; A279-L305 HydrophobicContact CB-CD2 4.22Å; A279-L305 HydrophobicContact CB-CG 4.23Å |
| 306 | R | 74.9 | Confident | 75.9 | Confident | 172 Ų | 172 | 95.8 Ų | 95.8 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -102.4 | 126.2 | 176.4 | -66.6 | -177.6 | -176 | 168.8 | 0.7 | 107.6 | S304 T308 | S304-R306 PolarHBondContact O-N 2.65Å; S304-R306 PolarHBondContact OG-N 2.82Å; S304-R306 PolarHBondContact OG-O 3.15Å; R306-T308 PolarHBondContact O-N 2.82Å; R306-T308 VanDerWaalsContact O-N 3.13Å |
| 307 | P | 57.5 | Low | 74.7 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | trans | -55.7 | 123.2 | 168.4 | -14.1 | 25.1 | 0 | 0 | 0 | 107.6 | M61 L309 | M61-P307 HydrophobicContact CE-CG 3.8Å; P307-L309 PolarHBondContact O-N 3.17Å | ||
| 308 | T | 51.8 | Low | 73.3 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | trans | -60.9 | 109.3 | 160 | 29.2 | 0 | 0 | 0 | 0 | 106.1 | R306 Q310 | R306-T308 PolarHBondContact O-N 2.82Å; R306-T308 VanDerWaalsContact O-N 3.13Å; T308-Q310 VanDerWaalsContact C-N 3.32Å; T308-Q310 PolarHBondContact O-N 2.99Å | ||
| 309 | L | 40.7 | Very low | 71.7 | Confident | 158 Ų | 158 | 91.9 Ų | 91.9 | 83% | 0.827 | 47% | 0.465 | S | S | * | . | trans | -55.8 | 103.2 | 164.6 | -73.9 | 164.9 | 0 | 0 | 0 | 106.1 | P307 I311 | P307-L309 PolarHBondContact O-N 3.17Å; L309-I311 PolarHBondContact O-N 3.43Å; L309-I311 VanDerWaalsContact O-N 3.11Å | ||
| 310 | Q | 36.1 | Very low | 69.9 | Low | 180 Ų | 180 | 99 Ų | 99 | 84% | 0.841 | 50% | 0.5 | S | S | * | . | trans | -69.9 | 103.8 | 164.3 | -74.5 | -174.5 | -19.9 | 0 | 0 | 105.4 | T308 | T308-Q310 VanDerWaalsContact C-N 3.32Å; T308-Q310 PolarHBondContact O-N 2.99Å | ||
| 311 | I | 33.2 | Very low | 67.9 | Low | 230 Ų | 230 | 98.8 Ų | 98.8 | 100% | 1.179 | 50% | 0.497 | S | S | * | . | trans | -73.8 | 0 | 167.9 | -57.2 | 175.3 | 0 | 0 | 0 | 108 | L309 | L309-I311 PolarHBondContact O-N 3.43Å; L309-I311 VanDerWaalsContact O-N 3.11Å |
Retrieved 311 of 311 residues in 166.4 ms
(Link to these results)