| 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 | P | 31.4 | Very low | 53.8 | Low | 177 Ų | 177 | 112.9 Ų | 112.9 | 100% | 1.149 | 67% | 0.671 | S | S | * | * | 0 | 80.7 | 0 | 26.2 | -3.8 | 0 | 0 | 0 | 109.6 | T3 | P1-T3 PolarHBondContact O-N 2.99Å; P1-T3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | T | 29.7 | Very low | 56.6 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 82% | 0.816 | 62% | 0.619 | S | S | * | * | trans | -65.2 | 106 | 167.3 | 41.7 | 0 | 0 | 0 | 0 | 106.7 | D4 | T2-D4 PolarHBondContact O-N 2.97Š| ||
| 3 | T | 33.5 | Very low | 58.9 | Low | 118 Ų | 118 | 105.7 Ų | 105.7 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | trans | -60.8 | 106.8 | 166.4 | 44.2 | 0 | 0 | 0 | 0 | 106.5 | P1 T5 | P1-T3 PolarHBondContact O-N 2.99Å; P1-T3 VanDerWaalsContact O-N 3.09Å; T3-T5 PolarHBondContact O-N 2.97Å; T3-T5 PolarHBondContact O-OG1 2.97Å | ||
| 4 | D | 43.9 | Very low | 60.9 | Low | 154 Ų | 154 | 98.6 Ų | 98.6 | 82% | 0.824 | 58% | 0.575 | S | S | * | * | trans | -61.6 | 83.2 | 167.2 | -97.9 | -20.9 | 0 | 0 | 0 | 107.7 | T2 M6 | T2-D4 PolarHBondContact O-N 2.97Å; D4-M6 PolarHBondContact O-N 3.4Å | ||
| 5 | T | 43 | Very low | 62.6 | Low | 118 Ų | 118 | 93 Ų | 93 | 72% | 0.724 | 55% | 0.547 | S | S | * | . | trans | -63.2 | 113.7 | 170 | -11.5 | 0 | 0 | 0 | 0 | 106.4 | T3 S7 | T3-T5 PolarHBondContact O-N 2.97Å; T3-T5 PolarHBondContact O-OG1 2.97Å; T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.16Å | ||
| 6 | M | 52.4 | Low | 64 | Low | 110 Ų | 110 | 94.7 Ų | 94.7 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | trans | -68.2 | 91.7 | -178.3 | -57.9 | -114.2 | -68.8 | 0 | 0 | 108.7 | D4 Q9 | D4-M6 PolarHBondContact O-N 3.4Å; M6-Q9 VanDerWaalsContact CE-CD 3.45Å; M6-Q9 PolarHBondContact SD-NE2 2.77Å | ||
| 7 | S | 53.4 | Low | 65.2 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | trans | -91.2 | 129.8 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | T5 Q9 | T5-S7 VanDerWaalsContact C-N 3.33Å; T5-S7 PolarHBondContact O-N 3.16Å; S7-Q9 PolarHBondContact O-N 3.08Å | ||
| 8 | H | 67.1 | Low | 66.5 | Low | 176 Ų | 176 | 91.2 Ų | 91.2 | 82% | 0.815 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 50.1 | 47.5 | 169.6 | -53.6 | -71.4 | 0 | 0 | 0 | 116.6 | A109 | H8-A109 WeakPolarHBondContact O-CB 3.5Š|
| 9 | Q | 76.8 | Confident | 67.6 | Low | 58 Ų | 58 | 90.3 Ų | 90.3 | 27% | 0.271 | 52% | 0.518 | S | S | . | . | trans | -79.1 | 143.4 | 175.2 | -67.4 | -168.6 | -15.9 | 0 | 0 | 112.6 | M6 S7 G11 | M6-Q9 VanDerWaalsContact CE-CD 3.45Å; M6-Q9 PolarHBondContact SD-NE2 2.77Å; S7-Q9 PolarHBondContact O-N 3.08Å; Q9-G11 PolarHBondContact O-N 3.15Å | ||
| 10 | T | 79.6 | Confident | 68.6 | Low | 56 Ų | 56 | 92.3 Ų | 92.3 | 34% | 0.344 | 52% | 0.523 | S | S | . | . | trans | -70.8 | -17.2 | 176.8 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | I12 L106 A109 T110 | T10-I12 PolarHBondContact O-N 3.02Å; T10-I12 PolarHBondContact OG1-N 3.14Å; T10-L106 HydrophobicContact CG2-CD1 3.83Å; T10-A109 HydrophobicContact CG2-CB 3.52Å; T10-T110 PolarHBondContact OG1-OG1 3Å | ||
| 11 | G | 81.6 | Confident | 69.5 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | trans | 77.9 | 0.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q9 Q13 | Q9-G11 PolarHBondContact O-N 3.15Å; G11-Q13 PolarHBondContact O-N 2.94Å | ||
| 12 | I | 87.2 | Confident | 72.3 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 5% | 0.046 | 45% | 0.45 | C | S | . | . | trans | -63.3 | 125.4 | 176.2 | -67.1 | 177.8 | 0 | 0 | 0 | 109.4 | T10 I38 E41 L43 L106 T110 T113 | T10-I12 PolarHBondContact O-N 3.02Å; T10-I12 PolarHBondContact OG1-N 3.14Å; I12-I38 HydrophobicContact CD1-CG2 3.79Å; I12-I38 HydrophobicContact CG2-CG2 4.48Å; I12-E41 HydrophobicContact CG1-CB 4.41Å; I12-E41 WeakPolarHBondContact CG2-O 3.5Å; I12-L43 HydrophobicContact CG2-CG 4.11Å; I12-L106 HydrophobicContact CD1-CD1 3.5Å; I12-L106 VanDerWaalsContact CD1-CD1 3.5Å; I12-L106 HydrophobicContact CD1-CD2 4.4Å; I12-L106 HydrophobicContact CD1-CG 3.99Å; I12-T110 HydrophobicContact CB-CG2 3.89Å; I12-T110 HydrophobicContact CG2-CG2 3.87Å; I12-T113 WeakPolarHBondContact O-CG2 3.39Å | ||
| 13 | Q | 86.9 | Confident | 75.1 | Confident | 123 Ų | 123 | 76.3 Ų | 76.3 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | trans | -106.5 | 163.1 | -179.8 | -61.3 | -168.8 | 1.3 | 0 | 0 | 111.5 | G11 L43 | G11-Q13 PolarHBondContact O-N 2.94Å; Q13-L43 PolarHBondContact O-N 3.48Å; Q13-L43 VanDerWaalsContact O-N 3.14Å | ||
| 14 | A | 86.1 | Confident | 77.6 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 5% | 0.05 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 128.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V18 K19 L43 E117 | A14-V18 HydrophobicContact CB-CG1 4.47Å; A14-K19 HydrophobicContact CB-CG 3.95Å; A14-K19 VanDerWaalsContact O-CE 3.27Å; A14-K19 WeakPolarHBondContact O-CE 3.42Å; A14-L43 HydrophobicContact CB-CD1 4.32Å; A14-E117 HydrophobicContact CB-CB 4.18Å; A14-E117 HydrophobicContact CB-CG 3.99Å |
| 15 | G | 86.6 | Confident | 79.6 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | trans | -59.6 | 155.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | D17 V18 K19 L43 | G15-D17 PolarHBondContact O-N 3.46Å; G15-V18 PolarHBondContact O-N 3.34Å; G15-V18 VanDerWaalsContact O-N 3.13Å; G15-K19 PolarHBondContact O-N 2.84Å; G15-K19 VanDerWaalsContact O-N 3.15Å; G15-L43 PolarHBondContact N-O 3.37Å | ||
| 16 | N | 84.7 | Confident | 81.6 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.6 | -39.3 | -177.3 | -68.9 | -26.8 | 0 | 0 | 0 | 111.8 | V18 K19 E20 | N16-V18 VanDerWaalsContact C-N 3.31Å; N16-V18 PolarHBondContact O-N 3.12Å; N16-K19 WeakPolarHBondContact O-CB 3.36Å; N16-K19 PolarHBondContact O-N 2.84Å; N16-K19 VanDerWaalsContact O-N 3.13Å; N16-E20 PolarHBondContact O-N 3Å; N16-E20 VanDerWaalsContact O-N 3.07Å |
| 17 | D | 85.4 | Confident | 82.7 | Confident | 122 Ų | 122 | 65.8 Ų | 65.8 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.6 | -40.7 | 177.9 | -54.5 | -12.2 | 0 | 0 | 0 | 112 | G15 E20 I21 | G15-D17 PolarHBondContact O-N 3.46Å; D17-E20 PolarHBondContact O-N 2.99Å; D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 VanDerWaalsContact O-CG1 3.28Å; D17-I21 WeakPolarHBondContact O-CG1 3.34Å; D17-I21 PolarHBondContact O-N 3.43Å; D17-I21 VanDerWaalsContact O-N 3.1Å |
| 18 | V | 87.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | A14 G15 N16 I21 F22 I36 L43 L45 | A14-V18 HydrophobicContact CB-CG1 4.47Å; G15-V18 PolarHBondContact O-N 3.34Å; G15-V18 VanDerWaalsContact O-N 3.13Å; N16-V18 VanDerWaalsContact C-N 3.31Å; N16-V18 PolarHBondContact O-N 3.12Å; V18-I21 PolarHBondContact O-N 2.99Å; V18-F22 HydrophobicContact CG1-CD1 4.12Å; V18-F22 HydrophobicContact CG1-CD2 4.03Å; V18-F22 HydrophobicContact CG1-CE1 3.64Å; V18-F22 HydrophobicContact CG1-CE2 3.52Å; V18-F22 HydrophobicContact CG1-CG 4.31Å; V18-F22 HydrophobicContact CG1-CZ 3.3Å; V18-F22 WeakPolarHBondContact O-CB 3.36Å; V18-F22 WeakPolarHBondContact O-CG 3.39Å; V18-F22 PolarHBondContact O-N 2.71Å; V18-I36 HydrophobicContact CG1-CD1 4.16Å; V18-L43 VanDerWaalsContact CG2-O 3.24Å; V18-L43 WeakPolarHBondContact CG2-O 3.15Å; V18-L45 HydrophobicContact CG2-CB 4.43Å |
| 19 | K | 87.8 | Confident | 83.5 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 176.2 | -69.2 | 178.3 | 178.1 | 172.4 | 0 | 112 | A14 G15 N16 F22 A23 E117 | A14-K19 HydrophobicContact CB-CG 3.95Å; A14-K19 VanDerWaalsContact O-CE 3.27Å; A14-K19 WeakPolarHBondContact O-CE 3.42Å; G15-K19 PolarHBondContact O-N 2.84Å; G15-K19 VanDerWaalsContact O-N 3.15Å; N16-K19 WeakPolarHBondContact O-CB 3.36Å; N16-K19 PolarHBondContact O-N 2.84Å; N16-K19 VanDerWaalsContact O-N 3.13Å; K19-F22 PolarHBondContact O-N 3.43Å; K19-A23 PolarHBondContact O-N 3.47Å; K19-E117 VanDerWaalsContact CE-OE2 3.24Å; K19-E117 WeakPolarHBondContact CE-OE2 3.47Å |
| 20 | E | 87.8 | Confident | 83.5 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 174.5 | -69.6 | -175.3 | -177.8 | 0 | 0 | 111.4 | N16 D17 F22 A23 N24 | N16-E20 PolarHBondContact O-N 3Å; N16-E20 VanDerWaalsContact O-N 3.07Å; D17-E20 PolarHBondContact O-N 2.99Å; E20-F22 VanDerWaalsContact C-N 3.34Å; E20-F22 PolarHBondContact O-N 3.06Å; E20-A23 WeakPolarHBondContact O-CB 3.35Å; E20-A23 PolarHBondContact O-N 3.13Å; E20-N24 PolarHBondContact O-N 3.1Å; E20-N24 PolarHBondContact O-ND2 2.92Å |
| 21 | I | 88.4 | Confident | 83.8 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 14% | 0.138 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176.2 | -66.4 | 162.2 | 0 | 0 | 0 | 111.2 | D17 V18 A23 N24 A25 L34 L45 | D17-I21 WeakPolarHBondContact O-CD1 3.5Å; D17-I21 VanDerWaalsContact O-CG1 3.28Å; D17-I21 WeakPolarHBondContact O-CG1 3.34Å; D17-I21 PolarHBondContact O-N 3.43Å; D17-I21 VanDerWaalsContact O-N 3.1Å; V18-I21 PolarHBondContact O-N 2.99Å; I21-A23 VanDerWaalsContact C-N 3.35Å; I21-N24 PolarHBondContact O-N 3.21Å; I21-A25 VanDerWaalsContact O-CB 3.27Å; I21-A25 WeakPolarHBondContact O-CB 3.17Å; I21-A25 PolarHBondContact O-N 3.45Å; I21-L34 HydrophobicContact CG2-CD1 4.31Å; I21-L34 HydrophobicContact CG2-CD2 3.99Å; I21-L45 HydrophobicContact CD1-CB 4.11Å; I21-L45 HydrophobicContact CD1-CD1 4.32Å; I21-L45 HydrophobicContact CD1-CD2 3.48Å; I21-L45 VanDerWaalsContact CD1-CD2 3.48Å; I21-L45 HydrophobicContact CD1-CG 4.16Å; I21-L45 HydrophobicContact CG2-CD1 4.49Å |
| 22 | F | 90.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.4 | -70.2 | -11 | 0 | 0 | 0 | 112.2 | V18 K19 E20 A25 R26 L34 I36 L76 L114 E117 F118 | V18-F22 HydrophobicContact CG1-CD1 4.12Å; V18-F22 HydrophobicContact CG1-CD2 4.03Å; V18-F22 HydrophobicContact CG1-CE1 3.64Å; V18-F22 HydrophobicContact CG1-CE2 3.52Å; V18-F22 HydrophobicContact CG1-CG 4.31Å; V18-F22 HydrophobicContact CG1-CZ 3.3Å; V18-F22 WeakPolarHBondContact O-CB 3.36Å; V18-F22 WeakPolarHBondContact O-CG 3.39Å; V18-F22 PolarHBondContact O-N 2.71Å; K19-F22 PolarHBondContact O-N 3.43Å; E20-F22 VanDerWaalsContact C-N 3.34Å; E20-F22 PolarHBondContact O-N 3.06Å; F22-A25 PolarHBondContact O-N 3.37Å; F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 VanDerWaalsContact O-CG 3.27Å; F22-R26 WeakPolarHBondContact O-CG 3.17Å; F22-R26 PolarHBondContact O-N 3.34Å; F22-R26 PolarHBondContact O-NE 2.96Å; F22-L34 HydrophobicContact CD1-CD1 4.24Å; F22-L34 HydrophobicContact CE1-CD1 4.34Å; F22-I36 HydrophobicContact CE1-CD1 3.78Å; F22-I36 HydrophobicContact CE1-CG1 4.21Å; F22-I36 HydrophobicContact CZ-CD1 4Å; F22-I36 HydrophobicContact CZ-CG1 4.17Å; F22-L76 HydrophobicContact CE1-CD1 3.87Å; F22-L76 HydrophobicContact CZ-CD1 4.24Å; F22-L114 HydrophobicContact CE2-CD1 4.05Å; F22-L114 HydrophobicContact CZ-CD1 3.68Å; F22-E117 HydrophobicContact CE2-CB 4.4Å; F22-F118 HydrophobicContact CB-CD2 4.15Å; F22-F118 AromaticContact CD1-CD2 3.61Å; F22-F118 HydrophobicContact CD1-CD2 3.61Å; F22-F118 HydrophobicContact CD1-CE2 4.04Å; F22-F118 HydrophobicContact CD2-CB 4.28Å; F22-F118 HydrophobicContact CD2-CD2 4.07Å; F22-F118 AromaticContact CE1-CD2 3.9Å; F22-F118 HydrophobicContact CE1-CD2 3.9Å; F22-F118 HydrophobicContact CE1-CE2 4.49Å; F22-F118 HydrophobicContact CE2-CB 4.23Å; F22-F118 HydrophobicContact CE2-CD2 4.34Å; F22-F118 AromaticContact CG-CD2 3.69Å; F22-F118 HydrophobicContact CG-CD2 3.69Å; F22-F118 HydrophobicContact CG-CE2 4.37Å; F22-F118 HydrophobicContact CZ-CD2 4.26Å |
| 23 | A | 87 | Confident | 84.5 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K19 E20 I21 A25 R26 S27 | K19-A23 PolarHBondContact O-N 3.47Å; E20-A23 WeakPolarHBondContact O-CB 3.35Å; E20-A23 PolarHBondContact O-N 3.13Å; I21-A23 VanDerWaalsContact C-N 3.35Å; A23-A25 PolarHBondContact O-N 2.89Å; A23-R26 PolarHBondContact O-N 3.33Å; A23-S27 PolarHBondContact O-N 3.41Å; A23-S27 PolarHBondContact O-OG 2.87Å |
| 24 | N | 86.9 | Confident | 84.8 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 178.8 | -67.7 | -26.4 | 0 | 0 | 0 | 113 | E20 I21 S27 G28 Y31 | E20-N24 PolarHBondContact O-N 3.1Å; E20-N24 PolarHBondContact O-ND2 2.92Å; I21-N24 PolarHBondContact O-N 3.21Å; N24-S27 PolarHBondContact O-N 2.8Å; N24-G28 PolarHBondContact O-N 2.88Å; N24-Y31 HydrophobicContact CB-CE2 4.18Å |
| 25 | A | 86.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I21 F22 A23 Y31 L34 W89 | I21-A25 VanDerWaalsContact O-CB 3.27Å; I21-A25 WeakPolarHBondContact O-CB 3.17Å; I21-A25 PolarHBondContact O-N 3.45Å; F22-A25 PolarHBondContact O-N 3.37Å; A23-A25 PolarHBondContact O-N 2.89Å; A25-Y31 HydrophobicContact CB-CD2 4.19Å; A25-L34 HydrophobicContact CB-CD1 3.76Å; A25-W89 HydrophobicContact CB-CH2 3.99Å; A25-W89 HydrophobicContact CB-CZ2 4Å; A25-W89 WeakPolarHBondContact O-CZ2 3.3Å |
| 26 | R | 83.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 52 Ų | 52 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 175.2 | -73.5 | -178.3 | -64 | -149.4 | 6.8 | 112.7 | F22 A23 F118 | F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 VanDerWaalsContact O-CG 3.27Å; F22-R26 WeakPolarHBondContact O-CG 3.17Å; F22-R26 PolarHBondContact O-N 3.34Å; F22-R26 PolarHBondContact O-NE 2.96Å; A23-R26 PolarHBondContact O-N 3.33Å; R26-F118 WeakPolarHBondContact CD-O 3.37Å; R26-F118 PolarHBondContact NH1-O 3.39Å |
| 27 | S | 76 | Confident | 86 | Confident | 113 Ų | 113 | 47.2 Ų | 47.2 | 79% | 0.79 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -94.1 | -11.7 | -173.3 | -59.2 | 0 | 0 | 0 | 0 | 114.9 | A23 N24 | A23-S27 PolarHBondContact O-N 3.41Å; A23-S27 PolarHBondContact O-OG 2.87Å; N24-S27 PolarHBondContact O-N 2.8Å |
| 28 | G | 68.1 | Low | 86.3 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | -130.5 | 154.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N24 Q30 | N24-G28 PolarHBondContact O-N 2.88Å; G28-Q30 PolarHBondContact O-N 2.91Å | ||
| 29 | D | 69.6 | Low | 86.3 | Confident | 99 Ų | 99 | 47.2 Ų | 47.2 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 6.4 | 173.5 | -169.8 | 24.4 | 0 | 0 | 0 | 113.1 | Y31 R78 | D29-Y31 PolarHBondContact O-N 3.32Å; D29-R78 PolarHBondContact O-NH1 3.27Å; D29-R78 IonicContact OD1-CZ 2.85Å; D29-R78 IonicContact OD1-NH1 3.44Å; D29-R78 PolarHBondContact OD1-NH1 2.85Å; D29-R78 IonicContact OD1-NH2 2.69Å; D29-R78 PolarHBondContact OD1-NH2 3.42Å |
| 30 | Q | 75.9 | Confident | 86.1 | Confident | 121 Ų | 121 | 51.3 Ų | 51.3 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -26.4 | -163.2 | -59 | -174.1 | 33.2 | 0 | 0 | 114.5 | G28 K50 | G28-Q30 PolarHBondContact O-N 2.91Å; Q30-K50 WeakPolarHBondContact O-CG 3.49Å |
| 31 | Y | 87.1 | Confident | 85.9 | Confident | 42 Ų | 42 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | trans | -119.7 | 130.9 | -173.4 | -57.8 | -74 | 0 | 0 | 0 | 111.3 | N24 A25 D29 L34 T48 R78 | N24-Y31 HydrophobicContact CB-CE2 4.18Å; A25-Y31 HydrophobicContact CB-CD2 4.19Å; D29-Y31 PolarHBondContact O-N 3.32Å; Y31-L34 HydrophobicContact CD1-CD2 3.98Å; Y31-L34 HydrophobicContact CG-CD2 3.89Å; Y31-T48 HydrophobicContact CD1-CG2 4.26Å; Y31-T48 HydrophobicContact CE1-CG2 4.21Å; Y31-R78 PolarHBondContact O-NH1 3.3Å; Y31-R78 VanDerWaalsContact O-NH1 3.14Å | ||
| 32 | R | 90.3 | Very high | 86 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -95.3 | -39.6 | 169.2 | -178 | 64.8 | 82.6 | -173.1 | 5 | 111.7 | R49 A51 K53 E58 L62 Y77 R78 D80 | R32-R49 PolarHBondContact N-O 3.11Å; R32-A51 HydrophobicContact CB-CB 3.99Å; R32-K53 PolarHBondContact NH2-O 2.96Å; R32-E58 IonicContact CZ-OE1 2.61Å; R32-E58 IonicContact NE-OE1 3.9Å; R32-E58 PolarHBondContact NE-OE1 3.06Å; R32-E58 IonicContact NH2-OE1 2.92Å; R32-E58 PolarHBondContact NH2-OE1 2.93Å; R32-L62 HydrophobicContact CB-CD1 4.22Å; R32-L62 HydrophobicContact CG-CD1 3.64Å; R32-Y77 WeakPolarHBondContact CD-OH 3.27Å; R32-Y77 HydrophobicContact CG-CE2 3.84Å; R32-Y77 WeakPolarHBondContact O-CA 3.23Å; R32-R78 VanDerWaalsContact CD-O 3.27Å; R32-R78 WeakPolarHBondContact CD-O 3.31Å; R32-R78 PolarHBondContact NH1-O 3.38Å; R32-R78 PolarHBondContact O-N 3.22Å; R32-D80 IonicContact CZ-OD1 2.68Å; R32-D80 VanDerWaalsContact CZ-OD1 3.23Å; R32-D80 IonicContact NH1-OD1 3.44Å; R32-D80 PolarHBondContact NH1-OD1 2.85Å; R32-D80 IonicContact NH2-OD1 2.73Å; R32-D80 PolarHBondContact NH2-OD1 2.84Å; R32-D80 IonicContact NH2-OD2 3.42Å |
| 33 | V | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.6 | -175.5 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | T48 R49 L62 L66 I75 L76 Y77 | V33-T48 WeakPolarHBondContact O-CA 3.44Å; V33-R49 HydrophobicContact CB-CB 4.09Å; V33-R49 HydrophobicContact CB-CG 4.44Å; V33-R49 HydrophobicContact CG2-CB 4.36Å; V33-R49 PolarHBondContact N-O 3.3Å; V33-R49 PolarHBondContact O-N 3.29Å; V33-L62 HydrophobicContact CG2-CB 3.82Å; V33-L62 HydrophobicContact CG2-CD1 4.04Å; V33-L66 HydrophobicContact CG1-CD1 3.68Å; V33-I75 HydrophobicContact CG1-CG2 3.42Å; V33-I75 VanDerWaalsContact CG1-CG2 3.42Å; V33-L76 CarbonylContact C-O 3.59Å; V33-L76 WeakPolarHBondContact CA-O 3.29Å; V33-Y77 HydrophobicContact CG2-CD2 3.53Å; V33-Y77 HydrophobicContact CG2-CE2 3.77Å |
| 34 | L | 93.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.3 | 169.2 | -50.9 | 172.6 | 0 | 0 | 0 | 108.9 | I21 F22 A25 Y31 L45 T48 I75 L76 W89 | I21-L34 HydrophobicContact CG2-CD1 4.31Å; I21-L34 HydrophobicContact CG2-CD2 3.99Å; F22-L34 HydrophobicContact CD1-CD1 4.24Å; F22-L34 HydrophobicContact CE1-CD1 4.34Å; A25-L34 HydrophobicContact CB-CD1 3.76Å; Y31-L34 HydrophobicContact CD1-CD2 3.98Å; Y31-L34 HydrophobicContact CG-CD2 3.89Å; L34-L45 HydrophobicContact CB-CD1 4.5Å; L34-L45 HydrophobicContact CD2-CD1 4.48Å; L34-T48 HydrophobicContact CD2-CG2 3.64Å; L34-I75 CarbonylContact O-C 3.58Å; L34-I75 WeakPolarHBondContact O-CA 3.36Å; L34-L76 HydrophobicContact CB-CB 4.24Å; L34-L76 HydrophobicContact CD1-CD1 4.4Å; L34-L76 PolarHBondContact N-O 3.45Å; L34-L76 PolarHBondContact O-N 3.24Å; L34-W89 HydrophobicContact CD1-CH2 4.47Å; L34-W89 HydrophobicContact CD1-CZ3 4.37Å; L34-W89 HydrophobicContact CG-CZ3 4.4Å |
| 35 | K | 94.5 | Very high | 86.3 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.4 | 168.9 | 177.5 | 178.7 | 178.2 | 170.6 | 0 | 108.5 | V37 G46 A47 L66 E68 C73 Y74 | K35-V37 HydrophobicContact CD-CG2 4.45Å; K35-V37 HydrophobicContact CG-CG2 4.09Å; K35-G46 PolarHBondContact O-N 2.78Å; K35-A47 HydrophobicContact CB-CB 4.09Å; K35-A47 HydrophobicContact CD-CB 4.41Å; K35-A47 PolarHBondContact N-O 2.93Å; K35-A47 PolarHBondContact O-N 3.41Å; K35-L66 HydrophobicContact CB-CD1 4.46Å; K35-L66 HydrophobicContact CD-CB 4.28Å; K35-L66 HydrophobicContact CD-CD2 4.37Å; K35-L66 PolarHBondContact NZ-O 3.39Å; K35-E68 IonicContact NZ-OE1 3.83Å; K35-E68 PolarHBondContact NZ-OE1 2.93Å; K35-C73 HydrophobicContact CG-CB 4.34Å; K35-Y74 CarbonylContact C-O 3.56Å; K35-Y74 WeakPolarHBondContact CA-O 3.41Å |
| 36 | I | 93.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.6 | 177.1 | -51.4 | -61.5 | 0 | 0 | 0 | 108.6 | V18 F22 L43 T44 L45 Y74 L114 | V18-I36 HydrophobicContact CG1-CD1 4.16Å; F22-I36 HydrophobicContact CE1-CD1 3.78Å; F22-I36 HydrophobicContact CE1-CG1 4.21Å; F22-I36 HydrophobicContact CZ-CD1 4Å; F22-I36 HydrophobicContact CZ-CG1 4.17Å; I36-L43 HydrophobicContact CG2-CB 4.03Å; I36-L43 HydrophobicContact CG2-CD2 3.85Å; I36-T44 WeakPolarHBondContact CA-O 3.46Å; I36-L45 HydrophobicContact CD1-CD1 3.91Å; I36-Y74 HydrophobicContact CB-CD2 4.39Å; I36-Y74 HydrophobicContact CG2-CD2 4.42Å; I36-Y74 PolarHBondContact N-O 3.49Å; I36-Y74 PolarHBondContact O-N 3.02Å; I36-L114 HydrophobicContact CG1-CD1 4.38Å; I36-L114 HydrophobicContact CG2-CD1 4.12Å |
| 37 | V | 93.4 | Very high | 86.7 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.8 | -176.7 | -163.8 | 0 | 0 | 0 | 0 | 107.5 | K35 E39 T44 Y107 | K35-V37 HydrophobicContact CD-CG2 4.45Å; K35-V37 HydrophobicContact CG-CG2 4.09Å; V37-E39 HydrophobicContact CG1-CG 4.29Å; V37-T44 PolarHBondContact N-O 3.18Å; V37-T44 PolarHBondContact O-N 2.91Å; V37-T44 PolarHBondContact O-OG1 2.71Å; V37-Y107 WeakPolarHBondContact CA-OH 3.46Å; V37-Y107 WeakPolarHBondContact CG1-OH 3.41Å |
| 38 | I | 91.7 | Very high | 87.4 | Confident | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.3 | 172.4 | -58.1 | 171.3 | 0 | 0 | 0 | 107.6 | I12 Q42 L43 Y74 L106 Y107 T110 | I12-I38 HydrophobicContact CD1-CG2 3.79Å; I12-I38 HydrophobicContact CG2-CG2 4.48Å; I38-Q42 WeakPolarHBondContact CA-O 3.23Å; I38-L43 HydrophobicContact CD1-CD2 4.4Å; I38-L43 HydrophobicContact CG1-CD2 3.73Å; I38-Y74 HydrophobicContact CD1-CE2 4.2Å; I38-Y74 HydrophobicContact CG1-CE2 4.39Å; I38-L106 HydrophobicContact CB-CD2 4.19Å; I38-L106 HydrophobicContact CD1-CD2 4.26Å; I38-L106 HydrophobicContact CD1-CG 3.97Å; I38-L106 HydrophobicContact CG2-CD2 3.62Å; I38-L106 HydrophobicContact CG2-CG 4.23Å; I38-Y107 HydrophobicContact CB-CE1 4.44Å; I38-Y107 HydrophobicContact CB-CE2 4.24Å; I38-Y107 HydrophobicContact CD1-CD1 3.93Å; I38-Y107 HydrophobicContact CD1-CD2 4.07Å; I38-Y107 HydrophobicContact CD1-CE1 3.97Å; I38-Y107 HydrophobicContact CD1-CE2 4.18Å; I38-Y107 HydrophobicContact CD1-CG 3.97Å; I38-Y107 HydrophobicContact CG1-CD1 4.33Å; I38-Y107 HydrophobicContact CG1-CE1 3.88Å; I38-Y107 HydrophobicContact CG1-CE2 4.35Å; I38-Y107 PolarHBondContact N-OH 3.37Å; I38-T110 HydrophobicContact CD1-CG2 4.11Å |
| 39 | E | 87.8 | Confident | 88.4 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.1 | 176.5 | -67.9 | 176.1 | 158.1 | 0 | 0 | 108 | V37 E41 Q42 T44 | V37-E39 HydrophobicContact CG1-CG 4.29Å; E39-E41 PolarHBondContact O-N 3.36Å; E39-E41 VanDerWaalsContact O-N 3.1Å; E39-Q42 PolarHBondContact N-O 3.01Å; E39-Q42 VanDerWaalsContact N-O 3.09Å; E39-Q42 PolarHBondContact O-N 2.98Å; E39-Q42 VanDerWaalsContact O-O 3.09Å; E39-T44 HydrophobicContact CB-CG2 4.22Å; E39-T44 PolarHBondContact OE2-OG1 2.67Å; E39-T44 VanDerWaalsContact OE2-OG1 3.05Å |
| 40 | D | 84.8 | Confident | 89.3 | Confident | 161 Ų | 161 | 58 Ų | 58 | 86% | 0.861 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 43.9 | 179 | -59.8 | -33.2 | 0 | 0 | 0 | 114.8 | Q42 | D40-Q42 PolarHBondContact O-N 3.26Š|
| 41 | E | 83.6 | Confident | 89.6 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 24.9 | -179.8 | -54.7 | -171.7 | 151.4 | 0 | 0 | 114.8 | I12 E39 | I12-E41 HydrophobicContact CG1-CB 4.41Å; I12-E41 WeakPolarHBondContact CG2-O 3.5Å; E39-E41 PolarHBondContact O-N 3.36Å; E39-E41 VanDerWaalsContact O-N 3.1Å |
| 42 | Q | 88.8 | Confident | 89.3 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.6 | 173.8 | -62.8 | -171.4 | 2.3 | 0 | 0 | 111.1 | I38 E39 D40 T44 | I38-Q42 WeakPolarHBondContact CA-O 3.23Å; E39-Q42 PolarHBondContact N-O 3.01Å; E39-Q42 VanDerWaalsContact N-O 3.09Å; E39-Q42 PolarHBondContact O-N 2.98Å; E39-Q42 VanDerWaalsContact O-O 3.09Å; D40-Q42 PolarHBondContact O-N 3.26Å; Q42-T44 PolarHBondContact O-N 3.07Å |
| 43 | L | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120.2 | 168.5 | -63.1 | 160.7 | 0 | 0 | 0 | 108.5 | I12 Q13 A14 G15 V18 I36 I38 Y74 T110 L114 | I12-L43 HydrophobicContact CG2-CG 4.11Å; Q13-L43 PolarHBondContact O-N 3.48Å; Q13-L43 VanDerWaalsContact O-N 3.14Å; A14-L43 HydrophobicContact CB-CD1 4.32Å; G15-L43 PolarHBondContact N-O 3.37Å; V18-L43 VanDerWaalsContact CG2-O 3.24Å; V18-L43 WeakPolarHBondContact CG2-O 3.15Å; I36-L43 HydrophobicContact CG2-CB 4.03Å; I36-L43 HydrophobicContact CG2-CD2 3.85Å; I38-L43 HydrophobicContact CD1-CD2 4.4Å; I38-L43 HydrophobicContact CG1-CD2 3.73Å; L43-Y74 HydrophobicContact CD2-CD2 4.46Å; L43-Y74 HydrophobicContact CD2-CE2 4.03Å; L43-T110 HydrophobicContact CD1-CG2 4.27Å; L43-T110 HydrophobicContact CD2-CG2 3.96Å; L43-T110 HydrophobicContact CG-CG2 4.25Å; L43-L114 HydrophobicContact CD1-CB 4.41Å; L43-L114 HydrophobicContact CD1-CD1 4.19Å |
| 44 | T | 91 | Very high | 88.8 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 158.7 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | I36 V37 E39 Q42 | I36-T44 WeakPolarHBondContact CA-O 3.46Å; V37-T44 PolarHBondContact N-O 3.18Å; V37-T44 PolarHBondContact O-N 2.91Å; V37-T44 PolarHBondContact O-OG1 2.71Å; E39-T44 HydrophobicContact CB-CG2 4.22Å; E39-T44 PolarHBondContact OE2-OG1 2.67Å; E39-T44 VanDerWaalsContact OE2-OG1 3.05Å; Q42-T44 PolarHBondContact O-N 3.07Å |
| 45 | L | 90.5 | Very high | 88.5 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.8 | 175 | -177 | 78.2 | 0 | 0 | 0 | 109.3 | V18 I21 L34 I36 T48 | V18-L45 HydrophobicContact CG2-CB 4.43Å; I21-L45 HydrophobicContact CD1-CB 4.11Å; I21-L45 HydrophobicContact CD1-CD1 4.32Å; I21-L45 HydrophobicContact CD1-CD2 3.48Å; I21-L45 VanDerWaalsContact CD1-CD2 3.48Å; I21-L45 HydrophobicContact CD1-CG 4.16Å; I21-L45 HydrophobicContact CG2-CD1 4.49Å; L34-L45 HydrophobicContact CB-CD1 4.5Å; L34-L45 HydrophobicContact CD2-CD1 4.48Å; I36-L45 HydrophobicContact CD1-CD1 3.91Å; L45-T48 HydrophobicContact CD1-CG2 3.67Å; L45-T48 HydrophobicContact CD2-CG2 3.5Å; L45-T48 VanDerWaalsContact CD2-CG2 3.5Å; L45-T48 HydrophobicContact CG-CG2 4Å |
| 46 | G | 87.3 | Confident | 88.2 | Confident | 45 Ų | 45 | 74.1 Ų | 74.1 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -50.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K35 | K35-G46 PolarHBondContact O-N 2.78Å |
| 47 | A | 89.7 | Confident | 87.9 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 151.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K35 L66 | K35-A47 HydrophobicContact CB-CB 4.09Å; K35-A47 HydrophobicContact CD-CB 4.41Å; K35-A47 PolarHBondContact N-O 2.93Å; K35-A47 PolarHBondContact O-N 3.41Å; A47-L66 HydrophobicContact CB-CD2 3.84Å |
| 48 | T | 90.6 | Very high | 87.7 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.2 | 171.7 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | Y31 V33 L34 L45 | Y31-T48 HydrophobicContact CD1-CG2 4.26Å; Y31-T48 HydrophobicContact CE1-CG2 4.21Å; V33-T48 WeakPolarHBondContact O-CA 3.44Å; L34-T48 HydrophobicContact CD2-CG2 3.64Å; L45-T48 HydrophobicContact CD1-CG2 3.67Å; L45-T48 HydrophobicContact CD2-CG2 3.5Å; L45-T48 VanDerWaalsContact CD2-CG2 3.5Å; L45-T48 HydrophobicContact CG-CG2 4Å |
| 49 | R | 89.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | 170.8 | -60.4 | -69.6 | -176.6 | -95.6 | 2.1 | 109.5 | R32 V33 L62 | R32-R49 PolarHBondContact N-O 3.11Å; V33-R49 HydrophobicContact CB-CB 4.09Å; V33-R49 HydrophobicContact CB-CG 4.44Å; V33-R49 HydrophobicContact CG2-CB 4.36Å; V33-R49 PolarHBondContact N-O 3.3Å; V33-R49 PolarHBondContact O-N 3.29Å; R49-L62 HydrophobicContact CB-CD2 3.99Å; R49-L62 HydrophobicContact CG-CD2 4Å |
| 50 | K | 87.6 | Confident | 87.7 | Confident | 157 Ų | 157 | 76.5 Ų | 76.5 | 68% | 0.683 | 39% | 0.392 | S | S | * | . | trans | -85.9 | 153.9 | 175.3 | -59.7 | -169.9 | 176 | -178.2 | 0 | 110.3 | Q30 | Q30-K50 WeakPolarHBondContact O-CG 3.49Š| ||
| 51 | A | 84.1 | Confident | 88 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | trans | -69.8 | 134.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R32 | R32-A51 HydrophobicContact CB-CB 3.99Š| ||
| 52 | S | 80.6 | Confident | 88.2 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | trans | -125.4 | -36.2 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 112.8 | E58 | S52-E58 WeakPolarHBondContact CA-OE2 3.42Å; S52-E58 WeakPolarHBondContact CB-OE2 3.46Å; S52-E58 PolarHBondContact N-OE1 3.35Å; S52-E58 PolarHBondContact N-OE2 2.98Å; S52-E58 PolarHBondContact OG-OE2 2.88Å | ||
| 53 | K | 84.3 | Confident | 88.3 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -132.3 | -175.3 | 179.9 | -63.5 | -177.5 | -177.2 | 178.1 | 0 | 110 | R32 E58 | R32-K53 PolarHBondContact NH2-O 2.96Å; K53-E58 PolarHBondContact N-OE2 3.14Å; K53-E58 VanDerWaalsContact O-OE1 3.13Å |
| 54 | K | 87.2 | Confident | 88.3 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | trans | -57.6 | 145.5 | 169.5 | -68 | -172.4 | 175.2 | -174 | 0 | 110.7 | D56 Q57 E58 D80 | K54-D56 WeakPolarHBondContact CB-OD1 3.4Å; K54-D56 PolarHBondContact O-N 3.46Å; K54-Q57 PolarHBondContact O-N 2.95Å; K54-Q57 VanDerWaalsContact O-N 3.17Å; K54-E58 PolarHBondContact O-N 3.01Å; K54-D80 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 55 | W | 87.6 | Confident | 88.4 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.6 | -38.4 | -174.2 | 78.8 | -89 | 0 | 0 | 0 | 113 | Q57 Y59 Y77 L79 D80 F137 Y140 | W55-Q57 PolarHBondContact O-N 3.34Å; W55-Y59 HydrophobicContact CE3-CD2 4.5Å; W55-Y59 WeakPolarHBondContact O-CB 3.29Å; W55-Y59 PolarHBondContact O-N 3.26Å; W55-Y77 VanDerWaalsContact CA-OH 3.31Å; W55-Y77 WeakPolarHBondContact CA-OH 3.47Å; W55-Y77 HydrophobicContact CB-CE1 4.05Å; W55-Y77 HydrophobicContact CE3-CE1 4.09Å; W55-Y77 PolarHBondContact O-OH 3.45Å; W55-L79 HydrophobicContact CD2-CD2 3.5Å; W55-L79 VanDerWaalsContact CD2-CD2 3.5Å; W55-L79 HydrophobicContact CE3-CD2 3.36Å; W55-L79 HydrophobicContact CG-CD2 4.11Å; W55-L79 HydrophobicContact CH2-CD2 4.12Å; W55-L79 HydrophobicContact CZ2-CD2 4.24Å; W55-L79 HydrophobicContact CZ3-CD2 3.68Å; W55-D80 VanDerWaalsContact CD1-OD2 3.29Å; W55-D80 PolarHBondContact N-OD2 2.84Å; W55-F137 AromaticContact CH2-CE2 3.86Å; W55-F137 HydrophobicContact CH2-CE2 3.86Å; W55-F137 HydrophobicContact CZ3-CD2 4.33Å; W55-F137 AromaticContact CZ3-CE2 3.72Å; W55-F137 HydrophobicContact CZ3-CE2 3.72Å; W55-Y140 HydrophobicContact CH2-CD1 4.01Å; W55-Y140 AromaticContact CH2-CE1 3.55Å; W55-Y140 HydrophobicContact CH2-CE1 3.55Å; W55-Y140 AromaticContact CZ3-CD1 3.87Å; W55-Y140 HydrophobicContact CZ3-CD1 3.87Å; W55-Y140 AromaticContact CZ3-CE1 3.61Å; W55-Y140 HydrophobicContact CZ3-CE1 3.61Å |
| 56 | D | 87.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | -178.6 | 63.9 | -29.8 | 0 | 0 | 0 | 113.5 | K54 F137 | K54-D56 WeakPolarHBondContact CB-OD1 3.4Å; K54-D56 PolarHBondContact O-N 3.46Å; D56-F137 HydrophobicContact CB-CE2 4.01Å; D56-F137 HydrophobicContact CB-CZ 3.69Å |
| 57 | Q | 87.1 | Confident | 88.5 | Confident | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -82.6 | -23.7 | -173.2 | -69.8 | 174.8 | 23.8 | 0 | 0 | 113.7 | K54 W55 | K54-Q57 PolarHBondContact O-N 2.95Å; K54-Q57 VanDerWaalsContact O-N 3.17Å; W55-Q57 PolarHBondContact O-N 3.34Å |
| 58 | E | 88.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -106.8 | -5.1 | -178.5 | 66.9 | -175.6 | -173.9 | 0 | 0 | 113.9 | R32 S52 K53 K54 D60 S61 L62 | R32-E58 IonicContact CZ-OE1 2.61Å; R32-E58 IonicContact NE-OE1 3.9Å; R32-E58 PolarHBondContact NE-OE1 3.06Å; R32-E58 IonicContact NH2-OE1 2.92Å; R32-E58 PolarHBondContact NH2-OE1 2.93Å; S52-E58 WeakPolarHBondContact CA-OE2 3.42Å; S52-E58 WeakPolarHBondContact CB-OE2 3.46Å; S52-E58 PolarHBondContact N-OE1 3.35Å; S52-E58 PolarHBondContact N-OE2 2.98Å; S52-E58 PolarHBondContact OG-OE2 2.88Å; K53-E58 PolarHBondContact N-OE2 3.14Å; K53-E58 VanDerWaalsContact O-OE1 3.13Å; K54-E58 PolarHBondContact O-N 3.01Å; E58-D60 PolarHBondContact O-N 3.47Å; E58-S61 PolarHBondContact O-N 2.83Å; E58-S61 PolarHBondContact O-OG 2.9Å; E58-L62 HydrophobicContact CB-CD1 4.04Å; E58-L62 HydrophobicContact CB-CG 4.33Å; E58-L62 HydrophobicContact CG-CD1 3.7Å; E58-L62 HydrophobicContact CG-CG 4.5Å; E58-L62 WeakPolarHBondContact O-CB 3.29Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.29Å; E58-L62 PolarHBondContact O-N 3.22Å; E58-L62 VanDerWaalsContact O-N 3.07Å |
| 59 | Y | 90.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -50.1 | -60.7 | -176.7 | -171.5 | -85.1 | 0 | 0 | 0 | 113.1 | W55 S61 L62 V63 Y77 I90 L92 L135 F137 | W55-Y59 HydrophobicContact CE3-CD2 4.5Å; W55-Y59 WeakPolarHBondContact O-CB 3.29Å; W55-Y59 PolarHBondContact O-N 3.26Å; Y59-S61 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 3.32Å; Y59-L62 PolarHBondContact O-N 3.25Å; Y59-V63 HydrophobicContact CD1-CG2 4.35Å; Y59-V63 HydrophobicContact CD2-CG2 4.48Å; Y59-V63 HydrophobicContact CE1-CB 4.43Å; Y59-V63 HydrophobicContact CE1-CG2 4.2Å; Y59-V63 HydrophobicContact CE2-CG2 4.32Å; Y59-V63 HydrophobicContact CG-CG2 4.49Å; Y59-V63 WeakPolarHBondContact O-CB 3.34Å; Y59-V63 WeakPolarHBondContact O-CG2 3.5Å; Y59-V63 PolarHBondContact O-N 2.9Å; Y59-Y77 AromaticContact CD2-CD1 3.81Å; Y59-Y77 HydrophobicContact CD2-CD1 3.81Å; Y59-Y77 AromaticContact CD2-CD2 3.99Å; Y59-Y77 HydrophobicContact CD2-CD2 3.99Å; Y59-Y77 AromaticContact CD2-CE1 3.61Å; Y59-Y77 HydrophobicContact CD2-CE1 3.61Å; Y59-Y77 AromaticContact CD2-CE2 3.81Å; Y59-Y77 HydrophobicContact CD2-CE2 3.81Å; Y59-Y77 HydrophobicContact CD2-CG 4.02Å; Y59-Y77 AromaticContact CD2-CZ 3.63Å; Y59-Y77 AromaticContact CE2-CD1 3.89Å; Y59-Y77 HydrophobicContact CE2-CD1 3.89Å; Y59-Y77 HydrophobicContact CE2-CD2 4.17Å; Y59-Y77 HydrophobicContact CE2-CE1 4.18Å; Y59-Y77 HydrophobicContact CE2-CE2 4.45Å; Y59-Y77 AromaticContact CE2-CG 3.91Å; Y59-Y77 HydrophobicContact CE2-CG 3.91Å; Y59-Y77 HydrophobicContact CG-CE2 4.4Å; Y59-I90 HydrophobicContact CE2-CD1 4.35Å; Y59-L92 VanDerWaalsContact OH-CD1 3.3Å; Y59-L92 WeakPolarHBondContact OH-CD1 3.29Å; Y59-L92 WeakPolarHBondContact OH-CD2 3.46Å; Y59-L135 WeakPolarHBondContact CE1-O 3.25Å; Y59-L135 PolarHBondContact OH-O 2.63Å; Y59-F137 HydrophobicContact CD1-CB 3.75Å; Y59-F137 HydrophobicContact CD1-CD2 4.27Å; Y59-F137 HydrophobicContact CD1-CG 4.5Å; Y59-F137 HydrophobicContact CE1-CB 4.4Å; Y59-F137 HydrophobicContact CG-CB 4.34Å; Y59-F137 HydrophobicContact CG-CD2 4.11Å |
| 60 | D | 90.6 | Very high | 88.2 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | -176.4 | -74.7 | -25.9 | 0 | 0 | 0 | 112.5 | E58 L62 L64 N136 F137 | E58-D60 PolarHBondContact O-N 3.47Å; D60-L62 PolarHBondContact O-N 3.07Å; D60-L64 HydrophobicContact CB-CD1 3.88Å; D60-L64 HydrophobicContact CB-CG 4.4Å; D60-L64 VanDerWaalsContact O-CB 3.29Å; D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 WeakPolarHBondContact O-CG 3.36Å; D60-L64 PolarHBondContact O-N 2.95Å; D60-L64 VanDerWaalsContact O-N 3.1Å; D60-N136 WeakPolarHBondContact OD1-CA 3.19Å; D60-F137 WeakPolarHBondContact OD1-CB 3.38Å; D60-F137 PolarHBondContact OD1-N 2.89Å; D60-F137 WeakPolarHBondContact OD2-CB 3.48Å |
| 61 | S | 89.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -26.7 | -179.4 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | E58 Y59 P65 | E58-S61 PolarHBondContact O-N 2.83Å; E58-S61 PolarHBondContact O-OG 2.9Å; Y59-S61 VanDerWaalsContact C-N 3.33Å; Y59-S61 PolarHBondContact O-N 3.32Å; S61-P65 WeakPolarHBondContact O-CD 3.35Å; S61-P65 WeakPolarHBondContact O-CG 3.29Å |
| 62 | L | 89.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -96.8 | -36.4 | -178.8 | -63.8 | 179 | 0 | 0 | 0 | 112.6 | R32 V33 R49 E58 Y59 D60 L66 | R32-L62 HydrophobicContact CB-CD1 4.22Å; R32-L62 HydrophobicContact CG-CD1 3.64Å; V33-L62 HydrophobicContact CG2-CB 3.82Å; V33-L62 HydrophobicContact CG2-CD1 4.04Å; R49-L62 HydrophobicContact CB-CD2 3.99Å; R49-L62 HydrophobicContact CG-CD2 4Å; E58-L62 HydrophobicContact CB-CD1 4.04Å; E58-L62 HydrophobicContact CB-CG 4.33Å; E58-L62 HydrophobicContact CG-CD1 3.7Å; E58-L62 HydrophobicContact CG-CG 4.5Å; E58-L62 WeakPolarHBondContact O-CB 3.29Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.29Å; E58-L62 PolarHBondContact O-N 3.22Å; E58-L62 VanDerWaalsContact O-N 3.07Å; Y59-L62 PolarHBondContact O-N 3.25Å; D60-L62 PolarHBondContact O-N 3.07Å; L62-L66 WeakPolarHBondContact O-CD1 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å |
| 63 | V | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.4 | -50.1 | -175.3 | 176 | 0 | 0 | 0 | 0 | 111.6 | Y59 L66 L67 I75 Y77 L92 | Y59-V63 HydrophobicContact CD1-CG2 4.35Å; Y59-V63 HydrophobicContact CD2-CG2 4.48Å; Y59-V63 HydrophobicContact CE1-CB 4.43Å; Y59-V63 HydrophobicContact CE1-CG2 4.2Å; Y59-V63 HydrophobicContact CE2-CG2 4.32Å; Y59-V63 HydrophobicContact CG-CG2 4.49Å; Y59-V63 WeakPolarHBondContact O-CB 3.34Å; Y59-V63 WeakPolarHBondContact O-CG2 3.5Å; Y59-V63 PolarHBondContact O-N 2.9Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 2.96Å; V63-L67 HydrophobicContact CG1-CD1 4.41Å; V63-I75 HydrophobicContact CG1-CD1 4.16Å; V63-Y77 HydrophobicContact CG2-CD2 3.67Å; V63-Y77 HydrophobicContact CG2-CE2 4.17Å; V63-L92 HydrophobicContact CG1-CD1 3.73Å; V63-L92 HydrophobicContact CG2-CD1 4.13Å |
| 64 | L | 90.6 | Very high | 90 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -60.2 | -40.1 | -171.7 | -63.2 | 175.3 | 0 | 0 | 0 | 114.3 | D60 L66 L67 K132 N136 | D60-L64 HydrophobicContact CB-CD1 3.88Å; D60-L64 HydrophobicContact CB-CG 4.4Å; D60-L64 VanDerWaalsContact O-CB 3.29Å; D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 WeakPolarHBondContact O-CG 3.36Å; D60-L64 PolarHBondContact O-N 2.95Å; D60-L64 VanDerWaalsContact O-N 3.1Å; L64-L66 PolarHBondContact O-N 2.89Å; L64-L67 HydrophobicContact CD2-CD1 4.18Å; L64-L67 PolarHBondContact O-N 2.83Å; L64-K132 HydrophobicContact CD2-CB 4.38Å; L64-N136 HydrophobicContact CD2-CB 4Å |
| 65 | P | 91.9 | Very high | 90.3 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 62% | 0.623 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -69.1 | -15.4 | 178.2 | -21.3 | 35.2 | 0 | 0 | 0 | 114.3 | S61 | S61-P65 WeakPolarHBondContact O-CD 3.35Å; S61-P65 WeakPolarHBondContact O-CG 3.29Å |
| 66 | L | 90.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -86.9 | -14.8 | 179.3 | -64.6 | 177.5 | 0 | 0 | 0 | 112.7 | V33 K35 A47 L62 V63 L64 I75 | V33-L66 HydrophobicContact CG1-CD1 3.68Å; K35-L66 HydrophobicContact CB-CD1 4.46Å; K35-L66 HydrophobicContact CD-CB 4.28Å; K35-L66 HydrophobicContact CD-CD2 4.37Å; K35-L66 PolarHBondContact NZ-O 3.39Å; A47-L66 HydrophobicContact CB-CD2 3.84Å; L62-L66 WeakPolarHBondContact O-CD1 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 2.96Å; L64-L66 PolarHBondContact O-N 2.89Å; L66-I75 HydrophobicContact CB-CD1 3.94Å |
| 67 | L | 90.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -84.6 | 113.1 | -179.4 | -57.9 | 178.7 | 0 | 0 | 0 | 110.6 | V63 L64 I75 W94 K132 L135 | V63-L67 HydrophobicContact CG1-CD1 4.41Å; L64-L67 HydrophobicContact CD2-CD1 4.18Å; L64-L67 PolarHBondContact O-N 2.83Å; L67-I75 HydrophobicContact CD2-CD1 3.55Å; L67-I75 HydrophobicContact CG-CD1 4.37Å; L67-W94 HydrophobicContact CB-CD2 4.41Å; L67-W94 HydrophobicContact CB-CZ2 4.39Å; L67-W94 HydrophobicContact CD1-CE3 4.47Å; L67-W94 HydrophobicContact CD2-CB 3.76Å; L67-W94 HydrophobicContact CD2-CD2 3.82Å; L67-W94 HydrophobicContact CD2-CE3 4.28Å; L67-W94 HydrophobicContact CD2-CG 3.61Å; L67-K132 HydrophobicContact CD1-CG 4.31Å; L67-L135 HydrophobicContact CD1-CB 4.03Å; L67-L135 HydrophobicContact CD1-CD1 4.11Å; L67-L135 HydrophobicContact CD2-CD1 3.83Å | ||
| 68 | E | 89 | Confident | 91.2 | Very high | 90 Ų | 90 | 30.6 Ų | 30.6 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | trans | -93.5 | 139 | 176.9 | -69.3 | 167.6 | -136.2 | 0 | 0 | 110.9 | K35 A70 V71 W94 | K35-E68 IonicContact NZ-OE1 3.83Å; K35-E68 PolarHBondContact NZ-OE1 2.93Å; E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 3.2Å; E68-V71 HydrophobicContact CB-CB 4.15Å; E68-W94 PolarHBondContact O-NE1 2.93Å | ||
| 69 | D | 86.6 | Confident | 91.3 | Very high | 101 Ų | 101 | 30.6 Ų | 30.6 | 54% | 0.54 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.8 | -22 | -170.4 | -64.1 | -25.4 | 0 | 0 | 0 | 114.2 | P96 K132 | D69-P96 VanDerWaalsContact O-CB 3.31Å; D69-P96 WeakPolarHBondContact O-CB 3.42Å; D69-P96 WeakPolarHBondContact O-CG 3.43Å; D69-K132 WeakPolarHBondContact OD1-CE 3.29Å; D69-K132 IonicContact OD1-NZ 3.32Å; D69-K132 PolarHBondContact OD1-NZ 3.42Å; D69-K132 IonicContact OD2-NZ 2.75Å |
| 70 | A | 87.6 | Confident | 91.3 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -120.4 | -2.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E68 S99 | E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 3.2Å; A70-S99 WeakPolarHBondContact O-CA 3.27Å; A70-S99 WeakPolarHBondContact O-CB 3.37Å |
| 71 | V | 89.7 | Confident | 91.2 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | trans | -126.2 | 119.3 | -173 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | E68 W94 | E68-V71 HydrophobicContact CB-CB 4.15Å; V71-W94 VanDerWaalsContact O-CD1 3.31Å; V71-W94 PolarHBondContact O-NE1 3.16Å | ||
| 72 | P | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -65.7 | 150.3 | 173.4 | -20.9 | 34.1 | 0 | 0 | 0 | 111.9 | W94 H103 Y107 | P72-W94 CarbonylContact C-O 3.56Å; P72-W94 WeakPolarHBondContact CA-O 3.47Å; P72-W94 VanDerWaalsContact CB-O 3.26Å; P72-W94 WeakPolarHBondContact CB-O 3.14Å; P72-H103 HydrophobicContact CG-CB 3.92Å; P72-Y107 HydrophobicContact CB-CD1 4.21Å; P72-Y107 HydrophobicContact CB-CD2 3.65Å; P72-Y107 HydrophobicContact CB-CE2 4.02Å; P72-Y107 HydrophobicContact CB-CG 3.73Å; P72-Y107 HydrophobicContact CG-CD2 4.19Å; P72-Y107 PolarHBondContact O-OH 2.77Å | ||
| 73 | C | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 166.6 | 172.4 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | K35 W94 | K35-C73 HydrophobicContact CG-CB 4.34Å; C73-W94 PolarHBondContact N-O 3.19Å; C73-W94 WeakPolarHBondContact O-CB 3.33Å; C73-W94 PolarHBondContact O-N 3.17Å |
| 74 | Y | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.1 | 167 | -47.9 | -76 | 0 | 0 | 0 | 110 | K35 I36 I38 L43 L92 Y107 T110 R111 L114 | K35-Y74 CarbonylContact C-O 3.56Å; K35-Y74 WeakPolarHBondContact CA-O 3.41Å; I36-Y74 HydrophobicContact CB-CD2 4.39Å; I36-Y74 HydrophobicContact CG2-CD2 4.42Å; I36-Y74 PolarHBondContact N-O 3.49Å; I36-Y74 PolarHBondContact O-N 3.02Å; I38-Y74 HydrophobicContact CD1-CE2 4.2Å; I38-Y74 HydrophobicContact CG1-CE2 4.39Å; L43-Y74 HydrophobicContact CD2-CD2 4.46Å; L43-Y74 HydrophobicContact CD2-CE2 4.03Å; Y74-L92 WeakPolarHBondContact CA-O 3.47Å; Y74-Y107 HydrophobicContact CD1-CD1 4.47Å; Y74-Y107 AromaticContact CD2-CD1 3.87Å; Y74-Y107 HydrophobicContact CD2-CD1 3.87Å; Y74-Y107 AromaticContact CD2-CE1 3.97Å; Y74-Y107 HydrophobicContact CD2-CE1 3.97Å; Y74-Y107 HydrophobicContact CE1-CD1 4.06Å; Y74-Y107 AromaticContact CE2-CD1 3.41Å; Y74-Y107 HydrophobicContact CE2-CD1 3.41Å; Y74-Y107 VanDerWaalsContact CE2-CD1 3.41Å; Y74-Y107 AromaticContact CE2-CE1 3.8Å; Y74-Y107 HydrophobicContact CE2-CE1 3.8Å; Y74-Y107 HydrophobicContact CE2-CG 4.45Å; Y74-Y107 HydrophobicContact CG-CD1 4.4Å; Y74-Y107 AromaticContact CZ-CD1 3.54Å; Y74-Y107 VanDerWaalsContact OH-CA 3.31Å; Y74-Y107 WeakPolarHBondContact OH-CA 3.45Å; Y74-Y107 PolarHBondContact OH-O 2.66Å; Y74-T110 VanDerWaalsContact OH-C 3.3Å; Y74-T110 WeakPolarHBondContact OH-CB 3.33Å; Y74-R111 HydrophobicContact CE1-CB 4.02Å; Y74-R111 HydrophobicContact CE1-CG 4.38Å; Y74-R111 PolarHBondContact OH-N 3.3Å; Y74-R111 VanDerWaalsContact OH-N 3.09Å; Y74-L114 VanDerWaalsContact CB-CD2 3.49Å; Y74-L114 HydrophobicContact CD1-CD2 3.85Å; Y74-L114 HydrophobicContact CD2-CD2 3.53Å; Y74-L114 HydrophobicContact CE1-CD2 4.38Å; Y74-L114 HydrophobicContact CE2-CD2 4.07Å; Y74-L114 HydrophobicContact CG-CD2 3.36Å |
| 75 | I | 95.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.8 | 174.3 | -60.4 | 177.7 | 0 | 0 | 0 | 108 | V33 L34 V63 L66 L67 L92 | V33-I75 HydrophobicContact CG1-CG2 3.42Å; V33-I75 VanDerWaalsContact CG1-CG2 3.42Å; L34-I75 CarbonylContact O-C 3.58Å; L34-I75 WeakPolarHBondContact O-CA 3.36Å; V63-I75 HydrophobicContact CG1-CD1 4.16Å; L66-I75 HydrophobicContact CB-CD1 3.94Å; L67-I75 HydrophobicContact CD2-CD1 3.55Å; L67-I75 HydrophobicContact CG-CD1 4.37Å; I75-L92 HydrophobicContact CB-CB 4.14Å; I75-L92 HydrophobicContact CB-CD1 4.28Å; I75-L92 HydrophobicContact CG2-CD1 4.17Å; I75-L92 PolarHBondContact N-O 2.78Å; I75-L92 PolarHBondContact O-N 3.06Å |
| 76 | L | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.3 | 168.5 | -70.4 | 162.6 | 0 | 0 | 0 | 107.9 | F22 V33 L34 W89 I90 L91 F118 | F22-L76 HydrophobicContact CE1-CD1 3.87Å; F22-L76 HydrophobicContact CZ-CD1 4.24Å; V33-L76 CarbonylContact C-O 3.59Å; V33-L76 WeakPolarHBondContact CA-O 3.29Å; L34-L76 HydrophobicContact CB-CB 4.24Å; L34-L76 HydrophobicContact CD1-CD1 4.4Å; L34-L76 PolarHBondContact N-O 3.45Å; L34-L76 PolarHBondContact O-N 3.24Å; L76-W89 HydrophobicContact CB-CE3 3.95Å; L76-W89 HydrophobicContact CB-CZ3 4.28Å; L76-I90 WeakPolarHBondContact CA-O 3.33Å; L76-L91 HydrophobicContact CD2-CB 4.14Å; L76-L91 HydrophobicContact CD2-CD1 3.74Å; L76-L91 HydrophobicContact CG-CD1 4.2Å; L76-F118 HydrophobicContact CD1-CD1 4.49Å; L76-F118 HydrophobicContact CD1-CD2 3.54Å; L76-F118 HydrophobicContact CD1-CE2 3.71Å; L76-F118 HydrophobicContact CD1-CG 3.97Å; L76-F118 HydrophobicContact CD1-CZ 4.25Å; L76-F118 HydrophobicContact CD2-CD1 4.2Å; L76-F118 HydrophobicContact CD2-CE1 4.23Å; L76-F118 HydrophobicContact CD2-CG 4.4Å; L76-F118 HydrophobicContact CD2-CZ 4.5Å |
| 77 | Y | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.4 | -179.2 | -173.9 | -83.1 | 0 | 0 | 0 | 110.2 | R32 V33 W55 Y59 V63 W89 I90 | R32-Y77 WeakPolarHBondContact CD-OH 3.27Å; R32-Y77 HydrophobicContact CG-CE2 3.84Å; R32-Y77 WeakPolarHBondContact O-CA 3.23Å; V33-Y77 HydrophobicContact CG2-CD2 3.53Å; V33-Y77 HydrophobicContact CG2-CE2 3.77Å; W55-Y77 VanDerWaalsContact CA-OH 3.31Å; W55-Y77 WeakPolarHBondContact CA-OH 3.47Å; W55-Y77 HydrophobicContact CB-CE1 4.05Å; W55-Y77 HydrophobicContact CE3-CE1 4.09Å; W55-Y77 PolarHBondContact O-OH 3.45Å; Y59-Y77 AromaticContact CD2-CD1 3.81Å; Y59-Y77 HydrophobicContact CD2-CD1 3.81Å; Y59-Y77 AromaticContact CD2-CD2 3.99Å; Y59-Y77 HydrophobicContact CD2-CD2 3.99Å; Y59-Y77 AromaticContact CD2-CE1 3.61Å; Y59-Y77 HydrophobicContact CD2-CE1 3.61Å; Y59-Y77 AromaticContact CD2-CE2 3.81Å; Y59-Y77 HydrophobicContact CD2-CE2 3.81Å; Y59-Y77 HydrophobicContact CD2-CG 4.02Å; Y59-Y77 AromaticContact CD2-CZ 3.63Å; Y59-Y77 AromaticContact CE2-CD1 3.89Å; Y59-Y77 HydrophobicContact CE2-CD1 3.89Å; Y59-Y77 HydrophobicContact CE2-CD2 4.17Å; Y59-Y77 HydrophobicContact CE2-CE1 4.18Å; Y59-Y77 HydrophobicContact CE2-CE2 4.45Å; Y59-Y77 AromaticContact CE2-CG 3.91Å; Y59-Y77 HydrophobicContact CE2-CG 3.91Å; Y59-Y77 HydrophobicContact CG-CE2 4.4Å; V63-Y77 HydrophobicContact CG2-CD2 3.67Å; V63-Y77 HydrophobicContact CG2-CE2 4.17Å; Y77-W89 CarbonylContact O-C 3.58Å; Y77-W89 WeakPolarHBondContact O-CA 3.27Å; Y77-I90 HydrophobicContact CD1-CD1 4.36Å; Y77-I90 PolarHBondContact N-O 3.08Å; Y77-I90 PolarHBondContact O-N 2.76Å |
| 78 | R | 92.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.1 | -177.5 | -162.4 | -169.5 | 69.8 | -164 | 3.5 | 111.8 | D29 Y31 R32 Y87 W89 | D29-R78 PolarHBondContact O-NH1 3.27Å; D29-R78 IonicContact OD1-CZ 2.85Å; D29-R78 IonicContact OD1-NH1 3.44Å; D29-R78 PolarHBondContact OD1-NH1 2.85Å; D29-R78 IonicContact OD1-NH2 2.69Å; D29-R78 PolarHBondContact OD1-NH2 3.42Å; Y31-R78 PolarHBondContact O-NH1 3.3Å; Y31-R78 VanDerWaalsContact O-NH1 3.14Å; R32-R78 VanDerWaalsContact CD-O 3.27Å; R32-R78 WeakPolarHBondContact CD-O 3.31Å; R32-R78 PolarHBondContact NH1-O 3.38Å; R32-R78 PolarHBondContact O-N 3.22Å; R78-Y87 HydrophobicContact CG-CG 4.33Å; R78-W89 HydrophobicContact CB-CD2 3.93Å; R78-W89 HydrophobicContact CB-CE3 3.74Å; R78-W89 HydrophobicContact CB-CH2 3.64Å; R78-W89 HydrophobicContact CB-CZ2 3.8Å; R78-W89 HydrophobicContact CB-CZ3 3.61Å; R78-W89 HydrophobicContact CG-CD2 3.97Å; R78-W89 HydrophobicContact CG-CE3 4.3Å; R78-W89 HydrophobicContact CG-CH2 3.97Å; R78-W89 HydrophobicContact CG-CZ2 3.57Å; R78-W89 HydrophobicContact CG-CZ3 4.31Å |
| 79 | L | 91 | Very high | 90.7 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 161.1 | 169.5 | -66.2 | 176.3 | 0 | 0 | 0 | 111.4 | W55 S81 E88 I90 K124 | W55-L79 HydrophobicContact CD2-CD2 3.5Å; W55-L79 VanDerWaalsContact CD2-CD2 3.5Å; W55-L79 HydrophobicContact CE3-CD2 3.36Å; W55-L79 HydrophobicContact CG-CD2 4.11Å; W55-L79 HydrophobicContact CH2-CD2 4.12Å; W55-L79 HydrophobicContact CZ2-CD2 4.24Å; W55-L79 HydrophobicContact CZ3-CD2 3.68Å; L79-S81 WeakPolarHBondContact CB-OG 3.37Å; L79-E88 HydrophobicContact CB-CB 4.34Å; L79-E88 WeakPolarHBondContact CB-O 3.42Å; L79-E88 HydrophobicContact CD1-CB 4.26Å; L79-E88 PolarHBondContact N-O 3.49Å; L79-I90 HydrophobicContact CD1-CD1 4.22Å; L79-I90 HydrophobicContact CD1-CG1 3.96Å; L79-I90 HydrophobicContact CD2-CD1 3.65Å; L79-I90 HydrophobicContact CD2-CG1 4.19Å; L79-I90 HydrophobicContact CG-CD1 4.01Å; L79-I90 HydrophobicContact CG-CG1 3.97Å; L79-K124 HydrophobicContact CD1-CD 4.03Å |
| 80 | D | 90.3 | Very high | 91 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -4.2 | 170.5 | -64 | -26.7 | 0 | 0 | 0 | 112.1 | R32 K54 W55 | R32-D80 IonicContact CZ-OD1 2.68Å; R32-D80 VanDerWaalsContact CZ-OD1 3.23Å; R32-D80 IonicContact NH1-OD1 3.44Å; R32-D80 PolarHBondContact NH1-OD1 2.85Å; R32-D80 IonicContact NH2-OD1 2.73Å; R32-D80 PolarHBondContact NH2-OD1 2.84Å; R32-D80 IonicContact NH2-OD2 3.42Å; K54-D80 WeakPolarHBondContact CA-OD2 3.48Å; W55-D80 VanDerWaalsContact CD1-OD2 3.29Å; W55-D80 PolarHBondContact N-OD2 2.84Å |
| 81 | S | 88.8 | Confident | 91.4 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 28% | 0.28 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 153.2 | 174.3 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | L79 E88 | L79-S81 WeakPolarHBondContact CB-OG 3.37Å; S81-E88 VanDerWaalsContact CB-OE2 3.22Å; S81-E88 WeakPolarHBondContact CB-OE2 3.2Å; S81-E88 PolarHBondContact O-N 3.02Å; S81-E88 PolarHBondContact OG-OE2 3.32Å |
| 82 | T | 89.4 | Confident | 91.7 | Very high | 94 Ų | 94 | 32.4 Ų | 32.4 | 58% | 0.577 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.3 | -178.2 | 56 | 0 | 0 | 0 | 0 | 111.5 | G86 Y87 | T82-G86 CarbonylContact C-O 3.58Å; T82-G86 VanDerWaalsContact CA-O 3.22Å; T82-G86 WeakPolarHBondContact CA-O 3.46Å; T82-G86 WeakPolarHBondContact CB-O 3.1Å; T82-Y87 HydrophobicContact CG2-CD1 3.65Å; T82-Y87 HydrophobicContact CG2-CE1 3.8Å; T82-Y87 HydrophobicContact CG2-CG 4.25Å |
| 83 | N | 88.2 | Confident | 91.7 | Very high | 50 Ų | 50 | 32.7 Ų | 32.7 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -173.9 | 171.8 | 73 | 14.8 | 0 | 0 | 0 | 110.9 | Q85 G86 E88 G121 | N83-Q85 PolarHBondContact O-N 2.96Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.08Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.26Å; N83-Q85 PolarHBondContact OD1-N 2.74Å; N83-G86 PolarHBondContact N-O 3.1Å; N83-G86 PolarHBondContact O-N 3.06Å; N83-G86 PolarHBondContact OD1-N 3.1Å; N83-G86 VanDerWaalsContact OD1-N 3.09Å; N83-G86 PolarHBondContact OD1-O 3.27Å; N83-E88 HydrophobicContact CB-CG 4.11Å; N83-G121 PolarHBondContact ND2-O 3.44Å |
| 84 | N | 85.6 | Confident | 91.8 | Very high | 178 Ų | 178 | 33 Ų | 33 | 95% | 0.952 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.6 | -178.9 | -66.4 | -6.9 | 0 | 0 | 0 | 114.9 | ||
| 85 | Q | 83.4 | Confident | 91.8 | Very high | 113 Ų | 113 | 33.5 Ų | 33.5 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -18.7 | -179 | -59.2 | -174.3 | -4.2 | 0 | 0 | 113.2 | N83 H122 | N83-Q85 PolarHBondContact O-N 2.96Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.08Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.26Å; N83-Q85 PolarHBondContact OD1-N 2.74Å; Q85-H122 PolarHBondContact O-NE2 3.14Å |
| 86 | G | 87.3 | Confident | 91.7 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 24% | 0.237 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.7 | -150.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T82 N83 | T82-G86 CarbonylContact C-O 3.58Å; T82-G86 VanDerWaalsContact CA-O 3.22Å; T82-G86 WeakPolarHBondContact CA-O 3.46Å; T82-G86 WeakPolarHBondContact CB-O 3.1Å; N83-G86 PolarHBondContact N-O 3.1Å; N83-G86 PolarHBondContact O-N 3.06Å; N83-G86 PolarHBondContact OD1-N 3.1Å; N83-G86 VanDerWaalsContact OD1-N 3.09Å; N83-G86 PolarHBondContact OD1-O 3.27Å |
| 87 | Y | 90.6 | Very high | 91.5 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 144.2 | 172.9 | -72 | -76.7 | 0 | 0 | 0 | 111.8 | R78 T82 W89 | R78-Y87 HydrophobicContact CG-CG 4.33Å; T82-Y87 HydrophobicContact CG2-CD1 3.65Å; T82-Y87 HydrophobicContact CG2-CE1 3.8Å; T82-Y87 HydrophobicContact CG2-CG 4.25Å; Y87-W89 PolarHBondContact O-NE1 3.12Å |
| 88 | E | 92.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 144.1 | 172.4 | -63 | -172.7 | 137.2 | 0 | 0 | 110.8 | L79 S81 N83 H122 K124 | L79-E88 HydrophobicContact CB-CB 4.34Å; L79-E88 WeakPolarHBondContact CB-O 3.42Å; L79-E88 HydrophobicContact CD1-CB 4.26Å; L79-E88 PolarHBondContact N-O 3.49Å; S81-E88 VanDerWaalsContact CB-OE2 3.22Å; S81-E88 WeakPolarHBondContact CB-OE2 3.2Å; S81-E88 PolarHBondContact O-N 3.02Å; S81-E88 PolarHBondContact OG-OE2 3.32Å; N83-E88 HydrophobicContact CB-CG 4.11Å; E88-H122 CarbonylContact C-O 3.56Å; E88-K124 HydrophobicContact CB-CB 4.26Å; E88-K124 IonicContact OE1-NZ 2.83Å; E88-K124 WeakPolarHBondContact OE2-CD 3.49Å; E88-K124 IonicContact OE2-NZ 3.08Å; E88-K124 PolarHBondContact OE2-NZ 2.83Å |
| 89 | W | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.1 | -178.7 | -65.4 | 75.4 | 0 | 0 | 0 | 110.8 | A25 L34 L76 Y77 R78 Y87 F118 H122 I123 K124 | A25-W89 HydrophobicContact CB-CH2 3.99Å; A25-W89 HydrophobicContact CB-CZ2 4Å; A25-W89 WeakPolarHBondContact O-CZ2 3.3Å; L34-W89 HydrophobicContact CD1-CH2 4.47Å; L34-W89 HydrophobicContact CD1-CZ3 4.37Å; L34-W89 HydrophobicContact CG-CZ3 4.4Å; L76-W89 HydrophobicContact CB-CE3 3.95Å; L76-W89 HydrophobicContact CB-CZ3 4.28Å; Y77-W89 CarbonylContact O-C 3.58Å; Y77-W89 WeakPolarHBondContact O-CA 3.27Å; R78-W89 HydrophobicContact CB-CD2 3.93Å; R78-W89 HydrophobicContact CB-CE3 3.74Å; R78-W89 HydrophobicContact CB-CH2 3.64Å; R78-W89 HydrophobicContact CB-CZ2 3.8Å; R78-W89 HydrophobicContact CB-CZ3 3.61Å; R78-W89 HydrophobicContact CG-CD2 3.97Å; R78-W89 HydrophobicContact CG-CE3 4.3Å; R78-W89 HydrophobicContact CG-CH2 3.97Å; R78-W89 HydrophobicContact CG-CZ2 3.57Å; R78-W89 HydrophobicContact CG-CZ3 4.31Å; Y87-W89 PolarHBondContact O-NE1 3.12Å; W89-F118 HydrophobicContact CB-CE1 4.05Å; W89-F118 HydrophobicContact CB-CZ 4.42Å; W89-F118 AromaticContact CD1-CE1 3.96Å; W89-F118 AromaticContact CD1-CZ 3.94Å; W89-F118 HydrophobicContact CD2-CE1 4.2Å; W89-F118 AromaticContact CD2-CZ 3.67Å; W89-F118 HydrophobicContact CD2-CZ 3.67Å; W89-F118 AromaticContact CE2-CZ 3.84Å; W89-F118 HydrophobicContact CE3-CZ 4.17Å; W89-F118 AromaticContact CG-CE1 3.79Å; W89-F118 HydrophobicContact CG-CE1 3.79Å; W89-F118 AromaticContact CG-CZ 3.76Å; W89-F118 HydrophobicContact CG-CZ 3.76Å; W89-F118 HydrophobicContact CZ2-CZ 4.48Å; W89-F118 AromaticContact NE1-CZ 3.98Å; W89-H122 PolarHBondContact N-O 3.23Å; W89-I123 CarbonylContact O-C 3.59Å; W89-I123 WeakPolarHBondContact O-CA 3.26Å; W89-K124 PolarHBondContact O-N 3.27Å |
| 90 | I | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.3 | 168.3 | -55.5 | 167.6 | 0 | 0 | 0 | 107.4 | Y59 L76 Y77 L79 L92 D125 I127 Y140 | Y59-I90 HydrophobicContact CE2-CD1 4.35Å; L76-I90 WeakPolarHBondContact CA-O 3.33Å; Y77-I90 HydrophobicContact CD1-CD1 4.36Å; Y77-I90 PolarHBondContact N-O 3.08Å; Y77-I90 PolarHBondContact O-N 2.76Å; L79-I90 HydrophobicContact CD1-CD1 4.22Å; L79-I90 HydrophobicContact CD1-CG1 3.96Å; L79-I90 HydrophobicContact CD2-CD1 3.65Å; L79-I90 HydrophobicContact CD2-CG1 4.19Å; L79-I90 HydrophobicContact CG-CD1 4.01Å; L79-I90 HydrophobicContact CG-CG1 3.97Å; I90-L92 HydrophobicContact CG2-CD2 3.51Å; I90-L92 HydrophobicContact CG2-CG 4.12Å; I90-D125 WeakPolarHBondContact CA-O 3.5Å; I90-D125 HydrophobicContact CG1-CB 4.42Å; I90-D125 HydrophobicContact CG2-CB 4.24Å; I90-I127 HydrophobicContact CG2-CD1 3.83Å; I90-I127 HydrophobicContact CG2-CG1 4.32Å; I90-Y140 HydrophobicContact CD1-CD1 4.23Å; I90-Y140 HydrophobicContact CD1-CD2 4.34Å; I90-Y140 HydrophobicContact CD1-CE1 3.68Å; I90-Y140 HydrophobicContact CD1-CE2 3.8Å; I90-Y140 VanDerWaalsContact CD1-CZ 3.43Å; I90-Y140 HydrophobicContact CG1-CE2 4.4Å |
| 91 | L | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.9 | 168.3 | 175.9 | 62.3 | 0 | 0 | 0 | 109 | L76 R111 L114 K115 I123 D125 D126 I127 | L76-L91 HydrophobicContact CD2-CB 4.14Å; L76-L91 HydrophobicContact CD2-CD1 3.74Å; L76-L91 HydrophobicContact CG-CD1 4.2Å; L91-R111 HydrophobicContact CD2-CG 4.48Å; L91-L114 HydrophobicContact CD1-CD2 3.88Å; L91-K115 HydrophobicContact CD2-CD 3.81Å; L91-K115 HydrophobicContact CD2-CG 3.39Å; L91-I123 HydrophobicContact CB-CD1 4.4Å; L91-I123 HydrophobicContact CB-CG2 3.93Å; L91-I123 HydrophobicContact CD2-CD1 4.4Å; L91-D125 PolarHBondContact N-O 3.11Å; L91-D126 WeakPolarHBondContact O-CA 3.48Å; L91-I127 PolarHBondContact O-N 2.83Å |
| 92 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.4 | 173.2 | -49.6 | 172 | 0 | 0 | 0 | 108.5 | Y59 V63 Y74 I75 I90 I127 L135 | Y59-L92 VanDerWaalsContact OH-CD1 3.3Å; Y59-L92 WeakPolarHBondContact OH-CD1 3.29Å; Y59-L92 WeakPolarHBondContact OH-CD2 3.46Å; V63-L92 HydrophobicContact CG1-CD1 3.73Å; V63-L92 HydrophobicContact CG2-CD1 4.13Å; Y74-L92 WeakPolarHBondContact CA-O 3.47Å; I75-L92 HydrophobicContact CB-CB 4.14Å; I75-L92 HydrophobicContact CB-CD1 4.28Å; I75-L92 HydrophobicContact CG2-CD1 4.17Å; I75-L92 PolarHBondContact N-O 2.78Å; I75-L92 PolarHBondContact O-N 3.06Å; I90-L92 HydrophobicContact CG2-CD2 3.51Å; I90-L92 HydrophobicContact CG2-CG 4.12Å; L92-I127 HydrophobicContact CD2-CB 4.01Å; L92-I127 HydrophobicContact CD2-CD1 3.92Å; L92-I127 HydrophobicContact CD2-CG1 4.41Å; L92-L135 HydrophobicContact CB-CD1 4.45Å; L92-L135 HydrophobicContact CB-CD2 4.24Å; L92-L135 HydrophobicContact CD2-CD2 4.19Å |
| 93 | S | 95.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 101.3 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 108.9 | R111 I127 G129 | S93-R111 WeakPolarHBondContact OG-CD 3.41Å; S93-R111 PolarHBondContact OG-NE 3.49Å; S93-I127 PolarHBondContact N-O 3.33Å; S93-G129 PolarHBondContact O-N 2.94Å |
| 94 | W | 95.6 | Very high | 91.5 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.3 | 177.9 | 174.1 | -116.8 | 0 | 0 | 0 | 110.3 | L67 E68 V71 P72 C73 P96 T130 T131 K132 L135 | L67-W94 HydrophobicContact CB-CD2 4.41Å; L67-W94 HydrophobicContact CB-CZ2 4.39Å; L67-W94 HydrophobicContact CD1-CE3 4.47Å; L67-W94 HydrophobicContact CD2-CB 3.76Å; L67-W94 HydrophobicContact CD2-CD2 3.82Å; L67-W94 HydrophobicContact CD2-CE3 4.28Å; L67-W94 HydrophobicContact CD2-CG 3.61Å; E68-W94 PolarHBondContact O-NE1 2.93Å; V71-W94 VanDerWaalsContact O-CD1 3.31Å; V71-W94 PolarHBondContact O-NE1 3.16Å; P72-W94 CarbonylContact C-O 3.56Å; P72-W94 WeakPolarHBondContact CA-O 3.47Å; P72-W94 VanDerWaalsContact CB-O 3.26Å; P72-W94 WeakPolarHBondContact CB-O 3.14Å; C73-W94 PolarHBondContact N-O 3.19Å; C73-W94 WeakPolarHBondContact O-CB 3.33Å; C73-W94 PolarHBondContact O-N 3.17Å; W94-P96 HydrophobicContact CH2-CB 4.14Å; W94-P96 HydrophobicContact CZ2-CB 3.62Å; W94-P96 HydrophobicContact CZ2-CG 3.99Å; W94-T130 WeakPolarHBondContact CH2-O 3.47Å; W94-T130 VanDerWaalsContact CZ3-C 3.42Å; W94-T130 WeakPolarHBondContact CZ3-O 3.34Å; W94-T131 WeakPolarHBondContact CZ3-O 3.28Å; W94-K132 HydrophobicContact CH2-CG 4.04Å; W94-L135 HydrophobicContact CB-CD1 3.81Å; W94-L135 HydrophobicContact CD2-CD1 4.15Å; W94-L135 HydrophobicContact CE3-CD1 3.48Å; W94-L135 VanDerWaalsContact CE3-CD1 3.48Å; W94-L135 HydrophobicContact CE3-CG 4.21Å; W94-L135 HydrophobicContact CG-CD1 4.34Å; W94-L135 HydrophobicContact CZ3-CD1 4.34Å |
| 95 | S | 94.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | trans | -144.1 | 85.1 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | G129 T130 | S95-G129 PolarHBondContact N-O 3.27Å; S95-T130 WeakPolarHBondContact O-CG2 3.38Å | ||
| 96 | P | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -68 | 150.6 | -174.4 | 26.3 | -31 | 0 | 0 | 0 | 112 | D69 W94 H98 S99 K104 T130 | D69-P96 VanDerWaalsContact O-CB 3.31Å; D69-P96 WeakPolarHBondContact O-CB 3.42Å; D69-P96 WeakPolarHBondContact O-CG 3.43Å; W94-P96 HydrophobicContact CH2-CB 4.14Å; W94-P96 HydrophobicContact CZ2-CB 3.62Å; W94-P96 HydrophobicContact CZ2-CG 3.99Å; P96-H98 PolarHBondContact O-N 2.81Å; P96-S99 PolarHBondContact O-N 2.78Å; P96-S99 PolarHBondContact O-OG 3.38Å; P96-K104 WeakPolarHBondContact O-CE 3.28Å; P96-T130 WeakPolarHBondContact CA-O 3.4Å | ||
| 97 | D | 88.9 | Confident | 92.3 | Very high | 101 Ų | 101 | 52.5 Ų | 52.5 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.6 | -174.8 | -81.9 | -42 | 0 | 0 | 0 | 114.4 | S99 K104 | D97-S99 VanDerWaalsContact C-N 3.35Å; D97-K104 VanDerWaalsContact C-NZ 3.35Å; D97-K104 VanDerWaalsContact CA-NZ 3.3Å; D97-K104 WeakPolarHBondContact O-CE 3.5Å; D97-K104 PolarHBondContact O-NZ 2.82Å; D97-K104 IonicContact OD1-NZ 3.42Å; D97-K104 PolarHBondContact OD1-NZ 2.83Å |
| 98 | H | 89.2 | Confident | 92.3 | Very high | 173 Ų | 173 | 52.3 Ų | 52.3 | 80% | 0.801 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.2 | 178.9 | -58 | -61.6 | 0 | 0 | 0 | 114.3 | P96 | P96-H98 PolarHBondContact O-N 2.81Š|
| 99 | S | 91.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.6 | 153.7 | 177.5 | 69 | 0 | 0 | 0 | 0 | 112.2 | A70 P96 D97 K104 | A70-S99 WeakPolarHBondContact O-CA 3.27Å; A70-S99 WeakPolarHBondContact O-CB 3.37Å; P96-S99 PolarHBondContact O-N 2.78Å; P96-S99 PolarHBondContact O-OG 3.38Å; D97-S99 VanDerWaalsContact C-N 3.35Å; S99-K104 VanDerWaalsContact O-CE 3.27Å; S99-K104 WeakPolarHBondContact O-CE 3.45Å; S99-K104 VanDerWaalsContact OG-CE 3.24Å; S99-K104 WeakPolarHBondContact OG-CE 3.48Å; S99-K104 WeakPolarHBondContact OG-CG 3.47Å |
| 100 | T | 92.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | trans | -61.4 | 146.7 | 177.5 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | R102 H103 K104 | T100-R102 PolarHBondContact O-N 2.84Å; T100-H103 PolarHBondContact O-N 2.85Å; T100-H103 VanDerWaalsContact O-N 3.08Å; T100-H103 PolarHBondContact OG1-CD2 3.19Å; T100-H103 PolarHBondContact OG1-N 2.75Å; T100-K104 PolarHBondContact O-N 2.74Å; T100-K104 VanDerWaalsContact O-N 3.09Å | ||
| 101 | V | 91.6 | Very high | 92 | Very high | 104 Ų | 104 | 55.2 Ų | 55.2 | 63% | 0.63 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.8 | -37.3 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | H103 K104 M105 | V101-H103 PolarHBondContact O-N 3.43Å; V101-K104 PolarHBondContact O-N 3.29Å; V101-M105 HydrophobicContact CG1-CG 4.23Å; V101-M105 HydrophobicContact CG1-SD 4.15Å; V101-M105 WeakPolarHBondContact O-CB 3.28Å; V101-M105 WeakPolarHBondContact O-CG 3.49Å; V101-M105 PolarHBondContact O-N 3.04Å |
| 102 | R | 89.6 | Confident | 91.7 | Very high | 190 Ų | 190 | 57.5 Ų | 57.5 | 72% | 0.717 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.5 | -47.6 | 176.5 | -176.8 | 177.8 | 176.4 | 158 | -0 | 111.7 | T100 L106 | T100-R102 PolarHBondContact O-N 2.84Å; R102-L106 WeakPolarHBondContact O-CB 3.21Å; R102-L106 PolarHBondContact O-N 3.28Å |
| 103 | H | 90.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 177.8 | -70.2 | -55.2 | 0 | 0 | 0 | 111.6 | P72 T100 V101 M105 L106 Y107 | P72-H103 HydrophobicContact CG-CB 3.92Å; T100-H103 PolarHBondContact O-N 2.85Å; T100-H103 VanDerWaalsContact O-N 3.08Å; T100-H103 PolarHBondContact OG1-CD2 3.19Å; T100-H103 PolarHBondContact OG1-N 2.75Å; V101-H103 PolarHBondContact O-N 3.43Å; H103-M105 VanDerWaalsContact C-N 3.3Å; H103-M105 PolarHBondContact O-N 2.96Å; H103-L106 PolarHBondContact O-N 3.43Å; H103-L106 VanDerWaalsContact O-N 3.14Å; H103-Y107 VanDerWaalsContact O-CD2 3.3Å; H103-Y107 WeakPolarHBondContact O-CD2 3.41Å; H103-Y107 PolarHBondContact O-N 3.25Å |
| 104 | K | 91.5 | Very high | 91.3 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55 | -46.8 | 176.9 | -64.3 | -170.9 | -174.5 | -177.3 | 0 | 112 | P96 D97 S99 T100 V101 A108 | P96-K104 WeakPolarHBondContact O-CE 3.28Å; D97-K104 VanDerWaalsContact C-NZ 3.35Å; D97-K104 VanDerWaalsContact CA-NZ 3.3Å; D97-K104 WeakPolarHBondContact O-CE 3.5Å; D97-K104 PolarHBondContact O-NZ 2.82Å; D97-K104 IonicContact OD1-NZ 3.42Å; D97-K104 PolarHBondContact OD1-NZ 2.83Å; S99-K104 VanDerWaalsContact O-CE 3.27Å; S99-K104 WeakPolarHBondContact O-CE 3.45Å; S99-K104 VanDerWaalsContact OG-CE 3.24Å; S99-K104 WeakPolarHBondContact OG-CE 3.48Å; S99-K104 WeakPolarHBondContact OG-CG 3.47Å; T100-K104 PolarHBondContact O-N 2.74Å; T100-K104 VanDerWaalsContact O-N 3.09Å; V101-K104 PolarHBondContact O-N 3.29Å; K104-A108 VanDerWaalsContact O-CB 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.21Å; K104-A108 PolarHBondContact O-N 2.98Å |
| 105 | M | 90.3 | Very high | 91.1 | Very high | 131 Ų | 131 | 60.5 Ų | 60.5 | 65% | 0.645 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 178.1 | -72.5 | -171.7 | 71.3 | 0 | 0 | 112.1 | V101 H103 Y107 A108 A109 | V101-M105 HydrophobicContact CG1-CG 4.23Å; V101-M105 HydrophobicContact CG1-SD 4.15Å; V101-M105 WeakPolarHBondContact O-CB 3.28Å; V101-M105 WeakPolarHBondContact O-CG 3.49Å; V101-M105 PolarHBondContact O-N 3.04Å; H103-M105 VanDerWaalsContact C-N 3.3Å; H103-M105 PolarHBondContact O-N 2.96Å; M105-Y107 PolarHBondContact O-N 3.16Å; M105-A108 PolarHBondContact O-N 3.31Å; M105-A109 VanDerWaalsContact O-CB 3.26Å; M105-A109 WeakPolarHBondContact O-CB 3.29Å; M105-A109 PolarHBondContact O-N 3.3Å |
| 106 | L | 91.2 | Very high | 90.9 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | -180 | -163.1 | 68.1 | 0 | 0 | 0 | 111.8 | T10 I12 I38 R102 H103 T110 | T10-L106 HydrophobicContact CG2-CD1 3.83Å; I12-L106 HydrophobicContact CD1-CD1 3.5Å; I12-L106 VanDerWaalsContact CD1-CD1 3.5Å; I12-L106 HydrophobicContact CD1-CD2 4.4Å; I12-L106 HydrophobicContact CD1-CG 3.99Å; I38-L106 HydrophobicContact CB-CD2 4.19Å; I38-L106 HydrophobicContact CD1-CD2 4.26Å; I38-L106 HydrophobicContact CD1-CG 3.97Å; I38-L106 HydrophobicContact CG2-CD2 3.62Å; I38-L106 HydrophobicContact CG2-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CB 3.21Å; R102-L106 PolarHBondContact O-N 3.28Å; H103-L106 PolarHBondContact O-N 3.43Å; H103-L106 VanDerWaalsContact O-N 3.14Å; L106-T110 VanDerWaalsContact O-CB 3.3Å; L106-T110 WeakPolarHBondContact O-CB 3.43Å; L106-T110 PolarHBondContact O-N 2.82Å; L106-T110 VanDerWaalsContact O-N 3.07Å; L106-T110 PolarHBondContact O-OG1 3.38Å |
| 107 | Y | 91.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.043 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.6 | -31.9 | 178.4 | -78.6 | -94.5 | 0 | 0 | 0 | 112.5 | V37 I38 P72 Y74 H103 M105 R111 | V37-Y107 WeakPolarHBondContact CA-OH 3.46Å; V37-Y107 WeakPolarHBondContact CG1-OH 3.41Å; I38-Y107 HydrophobicContact CB-CE1 4.44Å; I38-Y107 HydrophobicContact CB-CE2 4.24Å; I38-Y107 HydrophobicContact CD1-CD1 3.93Å; I38-Y107 HydrophobicContact CD1-CD2 4.07Å; I38-Y107 HydrophobicContact CD1-CE1 3.97Å; I38-Y107 HydrophobicContact CD1-CE2 4.18Å; I38-Y107 HydrophobicContact CD1-CG 3.97Å; I38-Y107 HydrophobicContact CG1-CD1 4.33Å; I38-Y107 HydrophobicContact CG1-CE1 3.88Å; I38-Y107 HydrophobicContact CG1-CE2 4.35Å; I38-Y107 PolarHBondContact N-OH 3.37Å; P72-Y107 HydrophobicContact CB-CD1 4.21Å; P72-Y107 HydrophobicContact CB-CD2 3.65Å; P72-Y107 HydrophobicContact CB-CE2 4.02Å; P72-Y107 HydrophobicContact CB-CG 3.73Å; P72-Y107 HydrophobicContact CG-CD2 4.19Å; P72-Y107 PolarHBondContact O-OH 2.77Å; Y74-Y107 HydrophobicContact CD1-CD1 4.47Å; Y74-Y107 AromaticContact CD2-CD1 3.87Å; Y74-Y107 HydrophobicContact CD2-CD1 3.87Å; Y74-Y107 AromaticContact CD2-CE1 3.97Å; Y74-Y107 HydrophobicContact CD2-CE1 3.97Å; Y74-Y107 HydrophobicContact CE1-CD1 4.06Å; Y74-Y107 AromaticContact CE2-CD1 3.41Å; Y74-Y107 HydrophobicContact CE2-CD1 3.41Å; Y74-Y107 VanDerWaalsContact CE2-CD1 3.41Å; Y74-Y107 AromaticContact CE2-CE1 3.8Å; Y74-Y107 HydrophobicContact CE2-CE1 3.8Å; Y74-Y107 HydrophobicContact CE2-CG 4.45Å; Y74-Y107 HydrophobicContact CG-CD1 4.4Å; Y74-Y107 AromaticContact CZ-CD1 3.54Å; Y74-Y107 VanDerWaalsContact OH-CA 3.31Å; Y74-Y107 WeakPolarHBondContact OH-CA 3.45Å; Y74-Y107 PolarHBondContact OH-O 2.66Å; H103-Y107 VanDerWaalsContact O-CD2 3.3Å; H103-Y107 WeakPolarHBondContact O-CD2 3.41Å; H103-Y107 PolarHBondContact O-N 3.25Å; M105-Y107 PolarHBondContact O-N 3.16Å; Y107-R111 PolarHBondContact O-N 2.98Å |
| 108 | A | 90.6 | Very high | 90.8 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K104 M105 | K104-A108 VanDerWaalsContact O-CB 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.21Å; K104-A108 PolarHBondContact O-N 2.98Å; M105-A108 PolarHBondContact O-N 3.31Å |
| 109 | A | 90.5 | Very high | 90.8 | Very high | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.5 | -19.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H8 T10 M105 | H8-A109 WeakPolarHBondContact O-CB 3.5Å; T10-A109 HydrophobicContact CG2-CB 3.52Å; M105-A109 VanDerWaalsContact O-CB 3.26Å; M105-A109 WeakPolarHBondContact O-CB 3.29Å; M105-A109 PolarHBondContact O-N 3.3Å |
| 110 | T | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -95.9 | -11.7 | -179.7 | -46 | 0 | 0 | 0 | 0 | 112.9 | T10 I12 I38 L43 Y74 L106 A112 T113 L114 | T10-T110 PolarHBondContact OG1-OG1 3Å; I12-T110 HydrophobicContact CB-CG2 3.89Å; I12-T110 HydrophobicContact CG2-CG2 3.87Å; I38-T110 HydrophobicContact CD1-CG2 4.11Å; L43-T110 HydrophobicContact CD1-CG2 4.27Å; L43-T110 HydrophobicContact CD2-CG2 3.96Å; L43-T110 HydrophobicContact CG-CG2 4.25Å; Y74-T110 VanDerWaalsContact OH-C 3.3Å; Y74-T110 WeakPolarHBondContact OH-CB 3.33Å; L106-T110 VanDerWaalsContact O-CB 3.3Å; L106-T110 WeakPolarHBondContact O-CB 3.43Å; L106-T110 PolarHBondContact O-N 2.82Å; L106-T110 VanDerWaalsContact O-N 3.07Å; L106-T110 PolarHBondContact O-OG1 3.38Å; T110-A112 VanDerWaalsContact C-N 3.34Å; T110-A112 PolarHBondContact O-N 2.99Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 VanDerWaalsContact O-N 3.12Å; T110-L114 PolarHBondContact O-N 2.84Å |
| 111 | R | 90.9 | Very high | 90.4 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.1 | -42.5 | -178 | -178.3 | 179.1 | 172.9 | -167.8 | 8.2 | 113.3 | Y74 L91 S93 Y107 L114 K115 D126 | Y74-R111 HydrophobicContact CE1-CB 4.02Å; Y74-R111 HydrophobicContact CE1-CG 4.38Å; Y74-R111 PolarHBondContact OH-N 3.3Å; Y74-R111 VanDerWaalsContact OH-N 3.09Å; L91-R111 HydrophobicContact CD2-CG 4.48Å; S93-R111 WeakPolarHBondContact OG-CD 3.41Å; S93-R111 PolarHBondContact OG-NE 3.49Å; Y107-R111 PolarHBondContact O-N 2.98Å; R111-L114 PolarHBondContact O-N 3.38Å; R111-K115 PolarHBondContact O-N 2.77Å; R111-K115 VanDerWaalsContact O-N 3.08Å; R111-D126 IonicContact CZ-OD1 3.12Å; R111-D126 VanDerWaalsContact CZ-OD1 3.29Å; R111-D126 IonicContact CZ-OD2 3.27Å; R111-D126 IonicContact NE-OD1 2.69Å; R111-D126 PolarHBondContact NE-OD1 2.87Å; R111-D126 VanDerWaalsContact NE-OD1 3.12Å; R111-D126 IonicContact NE-OD2 2.68Å; R111-D126 PolarHBondContact NE-OD2 3.12Å; R111-D126 IonicContact NH2-OD1 2.66Å; R111-D126 PolarHBondContact NH2-OD1 3.35Å; R111-D126 IonicContact NH2-OD2 3.29Å; R111-D126 PolarHBondContact NH2-OD2 3.33Å |
| 112 | A | 90.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T110 K115 K116 | T110-A112 VanDerWaalsContact C-N 3.34Å; T110-A112 PolarHBondContact O-N 2.99Å; A112-K115 PolarHBondContact O-N 2.97Å; A112-K116 PolarHBondContact O-N 2.94Å |
| 113 | T | 90.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.9 | -50.9 | 0 | 0 | 0 | 0 | 111 | I12 T110 K115 K116 E117 | I12-T113 WeakPolarHBondContact O-CG2 3.39Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 VanDerWaalsContact O-N 3.12Å; T113-K115 PolarHBondContact O-N 3.17Å; T113-K116 PolarHBondContact O-N 3.02Å; T113-K116 VanDerWaalsContact O-N 3.16Å; T113-E117 HydrophobicContact CG2-CG 4.15Å; T113-E117 WeakPolarHBondContact O-CB 3.3Å; T113-E117 VanDerWaalsContact O-CG 3.32Å; T113-E117 WeakPolarHBondContact O-CG 3.34Å; T113-E117 PolarHBondContact O-N 2.86Å |
| 114 | L | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 175.3 | 178.2 | 68.3 | 0 | 0 | 0 | 112 | F22 I36 L43 Y74 L91 T110 R111 K116 E117 F118 | F22-L114 HydrophobicContact CE2-CD1 4.05Å; F22-L114 HydrophobicContact CZ-CD1 3.68Å; I36-L114 HydrophobicContact CG1-CD1 4.38Å; I36-L114 HydrophobicContact CG2-CD1 4.12Å; L43-L114 HydrophobicContact CD1-CB 4.41Å; L43-L114 HydrophobicContact CD1-CD1 4.19Å; Y74-L114 VanDerWaalsContact CB-CD2 3.49Å; Y74-L114 HydrophobicContact CD1-CD2 3.85Å; Y74-L114 HydrophobicContact CD2-CD2 3.53Å; Y74-L114 HydrophobicContact CE1-CD2 4.38Å; Y74-L114 HydrophobicContact CE2-CD2 4.07Å; Y74-L114 HydrophobicContact CG-CD2 3.36Å; L91-L114 HydrophobicContact CD1-CD2 3.88Å; T110-L114 PolarHBondContact O-N 2.84Å; R111-L114 PolarHBondContact O-N 3.38Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 2.61Å; L114-E117 PolarHBondContact O-N 3.07Å; L114-F118 WeakPolarHBondContact O-CB 3.47Å; L114-F118 PolarHBondContact O-N 2.75Å |
| 115 | K | 92.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 44 Ų | 44 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 177.4 | -75.5 | -165.7 | -70 | -171.2 | 0 | 112.5 | L91 R111 A112 T113 G119 G120 I123 D126 | L91-K115 HydrophobicContact CD2-CD 3.81Å; L91-K115 HydrophobicContact CD2-CG 3.39Å; R111-K115 PolarHBondContact O-N 2.77Å; R111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 2.97Å; T113-K115 PolarHBondContact O-N 3.17Å; K115-G119 CarbonylContact O-C 3.59Å; K115-G119 WeakPolarHBondContact O-CA 3.22Å; K115-G119 PolarHBondContact O-N 2.74Å; K115-G120 PolarHBondContact O-N 2.86Å; K115-G120 VanDerWaalsContact O-N 3.15Å; K115-I123 HydrophobicContact CB-CD1 4.24Å; K115-I123 HydrophobicContact CD-CD1 4.49Å; K115-I123 HydrophobicContact CG-CD1 3.87Å; K115-D126 WeakPolarHBondContact CD-OD2 3.48Å; K115-D126 WeakPolarHBondContact CE-OD2 3.27Å; K115-D126 IonicContact NZ-OD2 3.05Å; K115-D126 PolarHBondContact NZ-OD2 3.19Å |
| 116 | K | 90.6 | Very high | 90.9 | Very high | 142 Ų | 142 | 39.4 Ų | 39.4 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.6 | -44.8 | 178.3 | -174.1 | -178.4 | 176.8 | -175.9 | 0 | 112.1 | A112 T113 L114 G119 | A112-K116 PolarHBondContact O-N 2.94Å; T113-K116 PolarHBondContact O-N 3.02Å; T113-K116 VanDerWaalsContact O-N 3.16Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 2.61Å; K116-G119 PolarHBondContact O-N 3.35Å |
| 117 | E | 89.5 | Confident | 91.1 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.8 | -69.9 | -66 | 154 | 0 | 0 | 112 | A14 K19 F22 T113 L114 | A14-E117 HydrophobicContact CB-CB 4.18Å; A14-E117 HydrophobicContact CB-CG 3.99Å; K19-E117 VanDerWaalsContact CE-OE2 3.24Å; K19-E117 WeakPolarHBondContact CE-OE2 3.47Å; F22-E117 HydrophobicContact CE2-CB 4.4Å; T113-E117 HydrophobicContact CG2-CG 4.15Å; T113-E117 WeakPolarHBondContact O-CB 3.3Å; T113-E117 VanDerWaalsContact O-CG 3.32Å; T113-E117 WeakPolarHBondContact O-CG 3.34Å; T113-E117 PolarHBondContact O-N 2.86Å; L114-E117 PolarHBondContact O-N 3.07Å |
| 118 | F | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 174.6 | -171.8 | -105.1 | 0 | 0 | 0 | 111.6 | F22 R26 L76 W89 L114 H122 I123 | F22-F118 HydrophobicContact CB-CD2 4.15Å; F22-F118 AromaticContact CD1-CD2 3.61Å; F22-F118 HydrophobicContact CD1-CD2 3.61Å; F22-F118 HydrophobicContact CD1-CE2 4.04Å; F22-F118 HydrophobicContact CD2-CB 4.28Å; F22-F118 HydrophobicContact CD2-CD2 4.07Å; F22-F118 AromaticContact CE1-CD2 3.9Å; F22-F118 HydrophobicContact CE1-CD2 3.9Å; F22-F118 HydrophobicContact CE1-CE2 4.49Å; F22-F118 HydrophobicContact CE2-CB 4.23Å; F22-F118 HydrophobicContact CE2-CD2 4.34Å; F22-F118 AromaticContact CG-CD2 3.69Å; F22-F118 HydrophobicContact CG-CD2 3.69Å; F22-F118 HydrophobicContact CG-CE2 4.37Å; F22-F118 HydrophobicContact CZ-CD2 4.26Å; R26-F118 WeakPolarHBondContact CD-O 3.37Å; R26-F118 PolarHBondContact NH1-O 3.39Å; L76-F118 HydrophobicContact CD1-CD1 4.49Å; L76-F118 HydrophobicContact CD1-CD2 3.54Å; L76-F118 HydrophobicContact CD1-CE2 3.71Å; L76-F118 HydrophobicContact CD1-CG 3.97Å; L76-F118 HydrophobicContact CD1-CZ 4.25Å; L76-F118 HydrophobicContact CD2-CD1 4.2Å; L76-F118 HydrophobicContact CD2-CE1 4.23Å; L76-F118 HydrophobicContact CD2-CG 4.4Å; L76-F118 HydrophobicContact CD2-CZ 4.5Å; W89-F118 HydrophobicContact CB-CE1 4.05Å; W89-F118 HydrophobicContact CB-CZ 4.42Å; W89-F118 AromaticContact CD1-CE1 3.96Å; W89-F118 AromaticContact CD1-CZ 3.94Å; W89-F118 HydrophobicContact CD2-CE1 4.2Å; W89-F118 AromaticContact CD2-CZ 3.67Å; W89-F118 HydrophobicContact CD2-CZ 3.67Å; W89-F118 AromaticContact CE2-CZ 3.84Å; W89-F118 HydrophobicContact CE3-CZ 4.17Å; W89-F118 AromaticContact CG-CE1 3.79Å; W89-F118 HydrophobicContact CG-CE1 3.79Å; W89-F118 AromaticContact CG-CZ 3.76Å; W89-F118 HydrophobicContact CG-CZ 3.76Å; W89-F118 HydrophobicContact CZ2-CZ 4.48Å; W89-F118 AromaticContact NE1-CZ 3.98Å; L114-F118 WeakPolarHBondContact O-CB 3.47Å; L114-F118 PolarHBondContact O-N 2.75Å; F118-H122 HydrophobicContact CD1-CB 4.49Å; F118-H122 HydrophobicContact CE1-CB 3.94Å; F118-I123 HydrophobicContact CD1-CD1 3.92Å; F118-I123 HydrophobicContact CD1-CG1 3.76Å; F118-I123 HydrophobicContact CE1-CG1 4.12Å |
| 119 | G | 89.6 | Confident | 91.3 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | trans | 109.8 | 98.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | K115 K116 G121 H122 | K115-G119 CarbonylContact O-C 3.59Å; K115-G119 WeakPolarHBondContact O-CA 3.22Å; K115-G119 PolarHBondContact O-N 2.74Å; K116-G119 PolarHBondContact O-N 3.35Å; G119-G121 PolarHBondContact O-N 3.32Å; G119-H122 PolarHBondContact O-N 3.1Å; G119-H122 PolarHBondContact O-ND1 2.87Å | ||
| 120 | G | 87.9 | Confident | 91.4 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -55.8 | -21.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K115 H122 I123 | K115-G120 PolarHBondContact O-N 2.86Å; K115-G120 VanDerWaalsContact O-N 3.15Å; G120-H122 PolarHBondContact O-N 3.48Å; G120-I123 PolarHBondContact O-N 2.94Å |
| 121 | G | 88.1 | Confident | 91.4 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -71 | -13.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | N83 G119 | N83-G121 PolarHBondContact ND2-O 3.44Å; G119-G121 PolarHBondContact O-N 3.32Å |
| 122 | H | 90.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -91.1 | -17 | 171.8 | -60 | 80.4 | 0 | 0 | 0 | 112.3 | Q85 E88 W89 F118 G119 G120 | Q85-H122 PolarHBondContact O-NE2 3.14Å; E88-H122 CarbonylContact C-O 3.56Å; W89-H122 PolarHBondContact N-O 3.23Å; F118-H122 HydrophobicContact CD1-CB 4.49Å; F118-H122 HydrophobicContact CE1-CB 3.94Å; G119-H122 PolarHBondContact O-N 3.1Å; G119-H122 PolarHBondContact O-ND1 2.87Å; G120-H122 PolarHBondContact O-N 3.48Å |
| 123 | I | 93.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.4 | -176.7 | -57.7 | 173.8 | 0 | 0 | 0 | 108 | W89 L91 K115 F118 G120 D125 | W89-I123 CarbonylContact O-C 3.59Å; W89-I123 WeakPolarHBondContact O-CA 3.26Å; L91-I123 HydrophobicContact CB-CD1 4.4Å; L91-I123 HydrophobicContact CB-CG2 3.93Å; L91-I123 HydrophobicContact CD2-CD1 4.4Å; K115-I123 HydrophobicContact CB-CD1 4.24Å; K115-I123 HydrophobicContact CD-CD1 4.49Å; K115-I123 HydrophobicContact CG-CD1 3.87Å; F118-I123 HydrophobicContact CD1-CD1 3.92Å; F118-I123 HydrophobicContact CD1-CG1 3.76Å; F118-I123 HydrophobicContact CE1-CG1 4.12Å; G120-I123 PolarHBondContact O-N 2.94Å; I123-D125 WeakPolarHBondContact CG2-O 2.97Å |
| 124 | K | 92.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 50.5 Ų | 50.5 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -53.2 | 177.7 | -175.7 | -170.1 | -161 | 149.4 | 0 | 111.2 | L79 E88 W89 | L79-K124 HydrophobicContact CD1-CD 4.03Å; E88-K124 HydrophobicContact CB-CB 4.26Å; E88-K124 IonicContact OE1-NZ 2.83Å; E88-K124 WeakPolarHBondContact OE2-CD 3.49Å; E88-K124 IonicContact OE2-NZ 3.08Å; E88-K124 PolarHBondContact OE2-NZ 2.83Å; W89-K124 PolarHBondContact O-N 3.27Å |
| 125 | D | 93.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.2 | -175 | -59.6 | -46.1 | 0 | 0 | 0 | 110 | I90 L91 I123 Y140 Y143 | I90-D125 WeakPolarHBondContact CA-O 3.5Å; I90-D125 HydrophobicContact CG1-CB 4.42Å; I90-D125 HydrophobicContact CG2-CB 4.24Å; L91-D125 PolarHBondContact N-O 3.11Å; I123-D125 WeakPolarHBondContact CG2-O 2.97Å; D125-Y140 HydrophobicContact CB-CE2 4.24Å; D125-Y140 WeakPolarHBondContact OD2-CE2 3.48Å; D125-Y140 PolarHBondContact OD2-OH 3Å; D125-Y143 HydrophobicContact CB-CE1 4.06Å |
| 126 | D | 94 | Very high | 91.3 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 101.5 | -179.5 | -174.5 | 7.2 | 0 | 0 | 0 | 109.1 | L91 R111 K115 | L91-D126 WeakPolarHBondContact O-CA 3.48Å; R111-D126 IonicContact CZ-OD1 3.12Å; R111-D126 VanDerWaalsContact CZ-OD1 3.29Å; R111-D126 IonicContact CZ-OD2 3.27Å; R111-D126 IonicContact NE-OD1 2.69Å; R111-D126 PolarHBondContact NE-OD1 2.87Å; R111-D126 VanDerWaalsContact NE-OD1 3.12Å; R111-D126 IonicContact NE-OD2 2.68Å; R111-D126 PolarHBondContact NE-OD2 3.12Å; R111-D126 IonicContact NH2-OD1 2.66Å; R111-D126 PolarHBondContact NH2-OD1 3.35Å; R111-D126 IonicContact NH2-OD2 3.29Å; R111-D126 PolarHBondContact NH2-OD2 3.33Å; K115-D126 WeakPolarHBondContact CD-OD2 3.48Å; K115-D126 WeakPolarHBondContact CE-OD2 3.27Å; K115-D126 IonicContact NZ-OD2 3.05Å; K115-D126 PolarHBondContact NZ-OD2 3.19Å |
| 127 | I | 94.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135 | -168.9 | -54.2 | 171.3 | 0 | 0 | 0 | 109 | I90 L91 L92 S93 L135 Y140 Y143 | I90-I127 HydrophobicContact CG2-CD1 3.83Å; I90-I127 HydrophobicContact CG2-CG1 4.32Å; L91-I127 PolarHBondContact O-N 2.83Å; L92-I127 HydrophobicContact CD2-CB 4.01Å; L92-I127 HydrophobicContact CD2-CD1 3.92Å; L92-I127 HydrophobicContact CD2-CG1 4.41Å; S93-I127 PolarHBondContact N-O 3.33Å; I127-L135 HydrophobicContact CG2-CD2 3.97Å; I127-Y140 HydrophobicContact CD1-CD2 3.31Å; I127-Y140 HydrophobicContact CD1-CE2 3.79Å; I127-Y140 HydrophobicContact CD1-CG 4.34Å; I127-Y143 HydrophobicContact CD1-CD1 4.14Å; I127-Y143 HydrophobicContact CD1-CG 4.31Å; I127-Y143 HydrophobicContact CG1-CD1 4.18Å; I127-Y143 HydrophobicContact CG1-CD2 4.33Å; I127-Y143 HydrophobicContact CG1-CE1 4.23Å; I127-Y143 HydrophobicContact CG1-CE2 4.35Å; I127-Y143 HydrophobicContact CG1-CG 4.23Å |
| 128 | F | 94.2 | Very high | 91.5 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.5 | 173.3 | 177.6 | -95.3 | 0 | 0 | 0 | 108.8 | T130 | F128-T130 HydrophobicContact CE1-CG2 3.58Å; F128-T130 HydrophobicContact CZ-CG2 4.01Å |
| 129 | G | 93.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 139.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S93 S95 | S93-G129 PolarHBondContact O-N 2.94Å; S95-G129 PolarHBondContact N-O 3.27Å |
| 130 | T | 92.8 | Very high | 91.7 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -107.5 | -21.8 | 174.5 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | W94 S95 P96 F128 D134 | W94-T130 WeakPolarHBondContact CH2-O 3.47Å; W94-T130 VanDerWaalsContact CZ3-C 3.42Å; W94-T130 WeakPolarHBondContact CZ3-O 3.34Å; S95-T130 WeakPolarHBondContact O-CG2 3.38Å; P96-T130 WeakPolarHBondContact CA-O 3.4Å; F128-T130 HydrophobicContact CE1-CG2 3.58Å; F128-T130 HydrophobicContact CZ-CG2 4.01Å; T130-D134 PolarHBondContact N-OD2 3.3Å |
| 131 | T | 91.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -117.1 | 154.1 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | W94 E133 D134 | W94-T131 WeakPolarHBondContact CZ3-O 3.28Å; T131-E133 PolarHBondContact O-N 2.91Å; T131-D134 PolarHBondContact N-OD2 2.95Å; T131-D134 WeakPolarHBondContact O-CB 3.49Å; T131-D134 PolarHBondContact O-N 3.11Å; T131-D134 VanDerWaalsContact O-N 3.08Å; T131-D134 PolarHBondContact OG1-N 3.15Å; T131-D134 PolarHBondContact OG1-OD1 3.29Å; T131-D134 PolarHBondContact OG1-OD2 3.4Å |
| 132 | K | 89.8 | Confident | 92.2 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -23.5 | 178.2 | -68 | -178.8 | -177.1 | 167.5 | 0 | 112.2 | L64 L67 D69 W94 D134 N136 | L64-K132 HydrophobicContact CD2-CB 4.38Å; L67-K132 HydrophobicContact CD1-CG 4.31Å; D69-K132 WeakPolarHBondContact OD1-CE 3.29Å; D69-K132 IonicContact OD1-NZ 3.32Å; D69-K132 PolarHBondContact OD1-NZ 3.42Å; D69-K132 IonicContact OD2-NZ 2.75Å; W94-K132 HydrophobicContact CH2-CG 4.04Å; K132-D134 VanDerWaalsContact C-N 3.33Å; K132-N136 WeakPolarHBondContact O-CB 3.33Å; K132-N136 PolarHBondContact O-N 3.22Å; K132-N136 VanDerWaalsContact O-N 3.07Å |
| 133 | E | 90.8 | Very high | 92.3 | Very high | 138 Ų | 138 | 54.4 Ų | 54.4 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.9 | -29.8 | 176.3 | -63.2 | -174 | -170.9 | 0 | 0 | 112.7 | T131 N136 G139 | T131-E133 PolarHBondContact O-N 2.91Å; E133-N136 PolarHBondContact O-OD1 3.45Å; E133-N136 VanDerWaalsContact O-OD1 3.11Å; E133-G139 WeakPolarHBondContact O-CA 3.4Å |
| 134 | D | 90.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 177.6 | -56.8 | -39.8 | 0 | 0 | 0 | 111.8 | T130 T131 K132 | T130-D134 PolarHBondContact N-OD2 3.3Å; T131-D134 PolarHBondContact N-OD2 2.95Å; T131-D134 WeakPolarHBondContact O-CB 3.49Å; T131-D134 PolarHBondContact O-N 3.11Å; T131-D134 VanDerWaalsContact O-N 3.08Å; T131-D134 PolarHBondContact OG1-N 3.15Å; T131-D134 PolarHBondContact OG1-OD1 3.29Å; T131-D134 PolarHBondContact OG1-OD2 3.4Å; K132-D134 VanDerWaalsContact C-N 3.33Å |
| 135 | L | 90.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -99.4 | -3.9 | -174.8 | -62 | -169.7 | 0 | 0 | 0 | 114.4 | Y59 L67 L92 W94 I127 | Y59-L135 WeakPolarHBondContact CE1-O 3.25Å; Y59-L135 PolarHBondContact OH-O 2.63Å; L67-L135 HydrophobicContact CD1-CB 4.03Å; L67-L135 HydrophobicContact CD1-CD1 4.11Å; L67-L135 HydrophobicContact CD2-CD1 3.83Å; L92-L135 HydrophobicContact CB-CD1 4.45Å; L92-L135 HydrophobicContact CB-CD2 4.24Å; L92-L135 HydrophobicContact CD2-CD2 4.19Å; W94-L135 HydrophobicContact CB-CD1 3.81Å; W94-L135 HydrophobicContact CD2-CD1 4.15Å; W94-L135 HydrophobicContact CE3-CD1 3.48Å; W94-L135 VanDerWaalsContact CE3-CD1 3.48Å; W94-L135 HydrophobicContact CE3-CG 4.21Å; W94-L135 HydrophobicContact CG-CD1 4.34Å; W94-L135 HydrophobicContact CZ3-CD1 4.34Å; I127-L135 HydrophobicContact CG2-CD2 3.97Å |
| 136 | N | 92.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -72.8 | 170 | 172.1 | 76.8 | 22 | 0 | 0 | 0 | 111 | D60 L64 K132 E133 S138 G139 Y140 | D60-N136 WeakPolarHBondContact OD1-CA 3.19Å; L64-N136 HydrophobicContact CD2-CB 4Å; K132-N136 WeakPolarHBondContact O-CB 3.33Å; K132-N136 PolarHBondContact O-N 3.22Å; K132-N136 VanDerWaalsContact O-N 3.07Å; E133-N136 PolarHBondContact O-OD1 3.45Å; E133-N136 VanDerWaalsContact O-OD1 3.11Å; N136-S138 VanDerWaalsContact C-N 3.25Å; N136-S138 PolarHBondContact ND2-OG 3.39Å; N136-S138 PolarHBondContact O-N 3.36Å; N136-S138 WeakPolarHBondContact OD1-CA 3.39Å; N136-S138 WeakPolarHBondContact OD1-CB 3.29Å; N136-S138 PolarHBondContact OD1-N 2.9Å; N136-S138 PolarHBondContact OD1-OG 2.69Å; N136-G139 WeakPolarHBondContact O-CA 3.27Å; N136-G139 PolarHBondContact O-N 3.11Å; N136-G139 PolarHBondContact OD1-N 3.35Å; N136-Y140 PolarHBondContact O-N 3.17Å |
| 137 | F | 91.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -34.9 | -177.4 | -176.8 | -122.6 | 0 | 0 | 0 | 112.5 | W55 D56 Y59 D60 Y140 K141 | W55-F137 AromaticContact CH2-CE2 3.86Å; W55-F137 HydrophobicContact CH2-CE2 3.86Å; W55-F137 HydrophobicContact CZ3-CD2 4.33Å; W55-F137 AromaticContact CZ3-CE2 3.72Å; W55-F137 HydrophobicContact CZ3-CE2 3.72Å; D56-F137 HydrophobicContact CB-CE2 4.01Å; D56-F137 HydrophobicContact CB-CZ 3.69Å; Y59-F137 HydrophobicContact CD1-CB 3.75Å; Y59-F137 HydrophobicContact CD1-CD2 4.27Å; Y59-F137 HydrophobicContact CD1-CG 4.5Å; Y59-F137 HydrophobicContact CE1-CB 4.4Å; Y59-F137 HydrophobicContact CG-CB 4.34Å; Y59-F137 HydrophobicContact CG-CD2 4.11Å; D60-F137 WeakPolarHBondContact OD1-CB 3.38Å; D60-F137 PolarHBondContact OD1-N 2.89Å; D60-F137 WeakPolarHBondContact OD2-CB 3.48Å; F137-Y140 PolarHBondContact O-N 2.99Å; F137-K141 HydrophobicContact CE1-CD 4.26Å; F137-K141 VanDerWaalsContact CE1-NZ 3.3Å; F137-K141 HydrophobicContact CZ-CD 4.45Å; F137-K141 PolarHBondContact O-N 3.39Å |
| 138 | S | 92.5 | Very high | 91.8 | Very high | 55 Ų | 55 | 68 Ų | 68 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 174.7 | 82 | 0 | 0 | 0 | 0 | 112.4 | N136 K141 K142 | N136-S138 VanDerWaalsContact C-N 3.25Å; N136-S138 PolarHBondContact ND2-OG 3.39Å; N136-S138 PolarHBondContact O-N 3.36Å; N136-S138 WeakPolarHBondContact OD1-CA 3.39Å; N136-S138 WeakPolarHBondContact OD1-CB 3.29Å; N136-S138 PolarHBondContact OD1-N 2.9Å; N136-S138 PolarHBondContact OD1-OG 2.69Å; S138-K141 PolarHBondContact O-N 3.04Å; S138-K142 WeakPolarHBondContact O-CG 3.29Å; S138-K142 PolarHBondContact O-N 3.45Å |
| 139 | G | 92.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | E133 N136 K141 K142 Y143 | E133-G139 WeakPolarHBondContact O-CA 3.4Å; N136-G139 WeakPolarHBondContact O-CA 3.27Å; N136-G139 PolarHBondContact O-N 3.11Å; N136-G139 PolarHBondContact OD1-N 3.35Å; G139-K141 PolarHBondContact O-N 2.99Å; G139-K142 WeakPolarHBondContact O-CB 3.47Å; G139-K142 PolarHBondContact O-N 3.31Å; G139-Y143 PolarHBondContact O-N 2.76Å |
| 140 | Y | 91.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 71 Ų | 71 | 2% | 0.024 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.4 | -179.5 | -129.9 | 0 | 0 | 0 | 112.7 | W55 I90 D125 I127 N136 F137 K142 Y143 L144 | W55-Y140 HydrophobicContact CH2-CD1 4.01Å; W55-Y140 AromaticContact CH2-CE1 3.55Å; W55-Y140 HydrophobicContact CH2-CE1 3.55Å; W55-Y140 AromaticContact CZ3-CD1 3.87Å; W55-Y140 HydrophobicContact CZ3-CD1 3.87Å; W55-Y140 AromaticContact CZ3-CE1 3.61Å; W55-Y140 HydrophobicContact CZ3-CE1 3.61Å; I90-Y140 HydrophobicContact CD1-CD1 4.23Å; I90-Y140 HydrophobicContact CD1-CD2 4.34Å; I90-Y140 HydrophobicContact CD1-CE1 3.68Å; I90-Y140 HydrophobicContact CD1-CE2 3.8Å; I90-Y140 VanDerWaalsContact CD1-CZ 3.43Å; I90-Y140 HydrophobicContact CG1-CE2 4.4Å; D125-Y140 HydrophobicContact CB-CE2 4.24Å; D125-Y140 WeakPolarHBondContact OD2-CE2 3.48Å; D125-Y140 PolarHBondContact OD2-OH 3Å; I127-Y140 HydrophobicContact CD1-CD2 3.31Å; I127-Y140 HydrophobicContact CD1-CE2 3.79Å; I127-Y140 HydrophobicContact CD1-CG 4.34Å; N136-Y140 PolarHBondContact O-N 3.17Å; F137-Y140 PolarHBondContact O-N 2.99Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.05Å; Y140-Y143 HydrophobicContact CD2-CD1 4.33Å; Y140-Y143 HydrophobicContact CE2-CD1 4.29Å; Y140-Y143 WeakPolarHBondContact O-CB 3.17Å; Y140-Y143 PolarHBondContact O-N 3.3Å; Y140-L144 HydrophobicContact CD1-CD1 4.36Å; Y140-L144 HydrophobicContact CD2-CG 4.4Å; Y140-L144 HydrophobicContact CE1-CD1 3.85Å; Y140-L144 HydrophobicContact CE1-CG 4.48Å; Y140-L144 HydrophobicContact CE2-CD1 4.24Å; Y140-L144 HydrophobicContact CE2-CD2 4.01Å; Y140-L144 HydrophobicContact CE2-CG 4Å; Y140-L144 PolarHBondContact O-N 3.43Å |
| 141 | K | 92.3 | Very high | 91.2 | Very high | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.8 | -74.4 | -176 | 178.2 | 176.5 | 0 | 112.5 | F137 S138 G139 Y143 L144 T145 | F137-K141 HydrophobicContact CE1-CD 4.26Å; F137-K141 VanDerWaalsContact CE1-NZ 3.3Å; F137-K141 HydrophobicContact CZ-CD 4.45Å; F137-K141 PolarHBondContact O-N 3.39Å; S138-K141 PolarHBondContact O-N 3.04Å; G139-K141 PolarHBondContact O-N 2.99Å; K141-Y143 VanDerWaalsContact C-N 3.3Å; K141-Y143 PolarHBondContact O-N 3.12Å; K141-L144 PolarHBondContact O-N 3.42Å; K141-T145 PolarHBondContact O-N 3.12Å; K141-T145 PolarHBondContact O-OG1 3.16Å; K141-T145 VanDerWaalsContact O-OG1 3.14Å |
| 142 | K | 92.9 | Very high | 91.1 | Very high | 143 Ų | 143 | 79.1 Ų | 79.1 | 62% | 0.622 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 175.5 | -72.2 | 173.6 | -176.7 | 175.6 | 0 | 111.5 | S138 G139 Y140 T145 S146 | S138-K142 WeakPolarHBondContact O-CG 3.29Å; S138-K142 PolarHBondContact O-N 3.45Å; G139-K142 WeakPolarHBondContact O-CB 3.47Å; G139-K142 PolarHBondContact O-N 3.31Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.05Å; K142-T145 PolarHBondContact O-N 3Å; K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.4Å |
| 143 | Y | 92.3 | Very high | 91.2 | Very high | 75 Ų | 75 | 78.5 Ų | 78.5 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.5 | 172.3 | -94 | 0 | 0 | 0 | 111.7 | D125 I127 G139 Y140 K141 T145 S146 Q147 | D125-Y143 HydrophobicContact CB-CE1 4.06Å; I127-Y143 HydrophobicContact CD1-CD1 4.14Å; I127-Y143 HydrophobicContact CD1-CG 4.31Å; I127-Y143 HydrophobicContact CG1-CD1 4.18Å; I127-Y143 HydrophobicContact CG1-CD2 4.33Å; I127-Y143 HydrophobicContact CG1-CE1 4.23Å; I127-Y143 HydrophobicContact CG1-CE2 4.35Å; I127-Y143 HydrophobicContact CG1-CG 4.23Å; G139-Y143 PolarHBondContact O-N 2.76Å; Y140-Y143 HydrophobicContact CD2-CD1 4.33Å; Y140-Y143 HydrophobicContact CE2-CD1 4.29Å; Y140-Y143 WeakPolarHBondContact O-CB 3.17Å; Y140-Y143 PolarHBondContact O-N 3.3Å; K141-Y143 VanDerWaalsContact C-N 3.3Å; K141-Y143 PolarHBondContact O-N 3.12Å; Y143-T145 VanDerWaalsContact C-N 3.34Å; Y143-T145 PolarHBondContact O-N 3.31Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.71Å; Y143-S146 VanDerWaalsContact O-N 3.15Å; Y143-Q147 PolarHBondContact O-N 2.92Å |
| 144 | L | 91.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 75.7 Ų | 75.7 | 34% | 0.335 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.4 | -66.1 | 175.8 | 0 | 0 | 0 | 112.2 | Y140 K141 S146 Q147 A148 | Y140-L144 HydrophobicContact CD1-CD1 4.36Å; Y140-L144 HydrophobicContact CD2-CG 4.4Å; Y140-L144 HydrophobicContact CE1-CD1 3.85Å; Y140-L144 HydrophobicContact CE1-CG 4.48Å; Y140-L144 HydrophobicContact CE2-CD1 4.24Å; Y140-L144 HydrophobicContact CE2-CD2 4.01Å; Y140-L144 HydrophobicContact CE2-CG 4Å; Y140-L144 PolarHBondContact O-N 3.43Å; K141-L144 PolarHBondContact O-N 3.42Å; L144-S146 VanDerWaalsContact C-N 3.34Å; L144-S146 PolarHBondContact O-N 3.46Å; L144-Q147 PolarHBondContact O-N 3.16Å; L144-A148 PolarHBondContact O-N 3.22Å; L144-A148 VanDerWaalsContact O-N 3.12Å |
| 145 | T | 93.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 75.9 Ų | 75.9 | 63% | 0.632 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 112 | K141 K142 Y143 A148 A149 | K141-T145 PolarHBondContact O-N 3.12Å; K141-T145 PolarHBondContact O-OG1 3.16Å; K141-T145 VanDerWaalsContact O-OG1 3.14Å; K142-T145 PolarHBondContact O-N 3Å; Y143-T145 VanDerWaalsContact C-N 3.34Å; Y143-T145 PolarHBondContact O-N 3.31Å; T145-A148 PolarHBondContact O-N 2.94Å; T145-A149 PolarHBondContact O-N 3.43Å |
| 146 | S | 91.2 | Very high | 91.6 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | K142 Y143 L144 A148 A149 | K142-S146 WeakPolarHBondContact O-CB 3.28Å; K142-S146 PolarHBondContact O-N 3.4Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.71Å; Y143-S146 VanDerWaalsContact O-N 3.15Å; L144-S146 VanDerWaalsContact C-N 3.34Å; L144-S146 PolarHBondContact O-N 3.46Å; S146-A148 VanDerWaalsContact C-N 3.31Å; S146-A148 PolarHBondContact O-N 3.4Å; S146-A149 VanDerWaalsContact O-CB 3.31Å; S146-A149 WeakPolarHBondContact O-CB 3.46Å; S146-A149 PolarHBondContact O-N 3.46Å |
| 147 | Q | 89.6 | Confident | 91.7 | Very high | 125 Ų | 125 | 81.7 Ų | 81.7 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67 | -33.1 | 176 | -168 | -178.4 | 33.3 | 0 | 0 | 112.6 | Y143 L144 A149 | Y143-Q147 PolarHBondContact O-N 2.92Å; L144-Q147 PolarHBondContact O-N 3.16Å; Q147-A149 VanDerWaalsContact C-N 3.34Å |
| 148 | A | 90.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 85.6 Ų | 85.6 | 73% | 0.727 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81.4 | -12.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L144 T145 S146 | L144-A148 PolarHBondContact O-N 3.22Å; L144-A148 VanDerWaalsContact O-N 3.12Å; T145-A148 PolarHBondContact O-N 2.94Å; S146-A148 VanDerWaalsContact C-N 3.31Å; S146-A148 PolarHBondContact O-N 3.4Å |
| 149 | A | 91.3 | Very high | 91.7 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -68.2 | 151.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T145 S146 Q147 L151 | T145-A149 PolarHBondContact O-N 3.43Å; S146-A149 VanDerWaalsContact O-CB 3.31Å; S146-A149 WeakPolarHBondContact O-CB 3.46Å; S146-A149 PolarHBondContact O-N 3.46Å; Q147-A149 VanDerWaalsContact C-N 3.34Å; A149-L151 PolarHBondContact O-N 3.45Å |
| 150 | P | 88.6 | Confident | 91.6 | Very high | 124 Ų | 124 | 94.4 Ų | 94.4 | 81% | 0.805 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 133.7 | 175.6 | 25.4 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 151 | L | 89.2 | Confident | 91.5 | Very high | 144 Ų | 144 | 101.6 Ų | 101.6 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 136.8 | 174.8 | -69.9 | 165.2 | 0 | 0 | 0 | 109.3 | A149 L153 | A149-L151 PolarHBondContact O-N 3.45Å; L151-L153 WeakPolarHBondContact O-CD1 3.2Å; L151-L153 PolarHBondContact O-N 3.24Å; L151-L153 VanDerWaalsContact O-N 3.07Å |
| 152 | P | 89.7 | Confident | 91.4 | Very high | 126 Ų | 126 | 103 Ų | 103 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | trans | -66.4 | 112 | 174.9 | 27.7 | -32.5 | 0 | 0 | 0 | 108.7 | ||||
| 153 | L | 90.9 | Very high | 91.1 | Very high | 72 Ų | 72 | 100.1 Ų | 100.1 | 38% | 0.377 | 56% | 0.56 | S | S | . | * | trans | -95.8 | 148.5 | 174.5 | -69.7 | 122 | 0 | 0 | 0 | 109.8 | L151 E157 E158 | L151-L153 WeakPolarHBondContact O-CD1 3.2Å; L151-L153 PolarHBondContact O-N 3.24Å; L151-L153 VanDerWaalsContact O-N 3.07Å; L153-E157 HydrophobicContact CB-CB 4.34Å; L153-E157 HydrophobicContact CD2-CB 3.81Å; L153-E158 HydrophobicContact CB-CG 3.82Å | ||
| 154 | T | 93.9 | Very high | 90.9 | Very high | 79 Ų | 79 | 103.5 Ų | 103.5 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | trans | -76.8 | 154.7 | 167.6 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | A156 E157 E158 | T154-A156 PolarHBondContact O-N 3.49Å; T154-A156 VanDerWaalsContact O-N 3.14Å; T154-E157 PolarHBondContact N-OE2 3.01Å; T154-E157 WeakPolarHBondContact O-CB 3.31Å; T154-E157 PolarHBondContact O-N 3.39Å; T154-E157 VanDerWaalsContact OG1-CG 3.24Å; T154-E157 WeakPolarHBondContact OG1-CG 3.31Å; T154-E157 PolarHBondContact OG1-N 2.98Å; T154-E157 PolarHBondContact OG1-OE2 2.94Å; T154-E158 PolarHBondContact O-N 2.97Å | ||
| 155 | A | 93.7 | Very high | 90.7 | Very high | 68 Ų | 68 | 106 Ų | 106 | 56% | 0.562 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.6 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E157 E158 E159 | A155-E157 PolarHBondContact O-N 3.31Å; A155-E158 PolarHBondContact O-N 3.2Å; A155-E159 WeakPolarHBondContact O-CG 3.35Å; A155-E159 PolarHBondContact O-N 3.15Å |
| 156 | A | 93.2 | Very high | 90.2 | Very high | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -35.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T154 L160 | T154-A156 PolarHBondContact O-N 3.49Å; T154-A156 VanDerWaalsContact O-N 3.14Å; A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.2Å |
| 157 | E | 93.1 | Very high | 89.6 | Confident | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.6 | -34.8 | 176.3 | -70.4 | 165.1 | 145.5 | 0 | 0 | 111.8 | L153 T154 A155 R161 | L153-E157 HydrophobicContact CB-CB 4.34Å; L153-E157 HydrophobicContact CD2-CB 3.81Å; T154-E157 PolarHBondContact N-OE2 3.01Å; T154-E157 WeakPolarHBondContact O-CB 3.31Å; T154-E157 PolarHBondContact O-N 3.39Å; T154-E157 VanDerWaalsContact OG1-CG 3.24Å; T154-E157 WeakPolarHBondContact OG1-CG 3.31Å; T154-E157 PolarHBondContact OG1-N 2.98Å; T154-E157 PolarHBondContact OG1-OE2 2.94Å; A155-E157 PolarHBondContact O-N 3.31Å; E157-R161 WeakPolarHBondContact O-CB 3.5Å; E157-R161 PolarHBondContact O-N 3.38Å |
| 158 | E | 91.1 | Very high | 88.7 | Confident | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -45.3 | 172.3 | -67.8 | -176.1 | 159.7 | 0 | 0 | 111.1 | L153 T154 A155 R161 Q162 | L153-E158 HydrophobicContact CB-CG 3.82Å; T154-E158 PolarHBondContact O-N 2.97Å; A155-E158 PolarHBondContact O-N 3.2Å; E158-R161 PolarHBondContact O-N 3.34Å; E158-Q162 PolarHBondContact O-N 3.17Å |
| 159 | E | 92.6 | Very high | 87.3 | Confident | 133 Ų | 133 | 106.3 Ų | 106.3 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.1 | -47.3 | 174.9 | -74.3 | 177.6 | -179.7 | 0 | 0 | 112.1 | A155 R161 Q162 I163 | A155-E159 WeakPolarHBondContact O-CG 3.35Å; A155-E159 PolarHBondContact O-N 3.15Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.16Å; E159-Q162 WeakPolarHBondContact O-CB 3.22Å; E159-Q162 PolarHBondContact O-N 3.29Å; E159-Q162 VanDerWaalsContact O-N 3.13Å; E159-I163 WeakPolarHBondContact O-CG1 3.46Å; E159-I163 PolarHBondContact O-N 2.89Å |
| 160 | L | 91.4 | Very high | 85.8 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -38.7 | 177.1 | -79.3 | 171.4 | 0 | 0 | 0 | 112.5 | A156 Q162 I163 K164 | A156-L160 WeakPolarHBondContact O-CG 3.42Å; A156-L160 PolarHBondContact O-N 3.2Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-I163 PolarHBondContact O-N 2.71Å; L160-K164 WeakPolarHBondContact O-CB 3.48Å; L160-K164 PolarHBondContact O-N 3.17Å |
| 161 | R | 88.8 | Confident | 84.3 | Confident | 158 Ų | 158 | 109 Ų | 109 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.3 | -39.8 | 175 | -176.1 | 179.3 | 179.2 | 173.4 | -0.4 | 111.1 | E157 E158 E159 K164 L165 | E157-R161 WeakPolarHBondContact O-CB 3.5Å; E157-R161 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-N 3.34Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 3.16Å; R161-K164 PolarHBondContact O-N 3.2Å; R161-L165 HydrophobicContact CG-CD1 4.35Å; R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.47Å |
| 162 | Q | 89.7 | Confident | 82.8 | Confident | 142 Ų | 142 | 109.1 Ų | 109.1 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.4 | -46.5 | 176.3 | -167.1 | 109.1 | 3.6 | 0 | 0 | 111.3 | E158 E159 L160 K164 L165 S166 | E158-Q162 PolarHBondContact O-N 3.17Å; E159-Q162 WeakPolarHBondContact O-CB 3.22Å; E159-Q162 PolarHBondContact O-N 3.29Å; E159-Q162 VanDerWaalsContact O-N 3.13Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-K164 PolarHBondContact O-N 2.69Å; Q162-L165 PolarHBondContact O-N 3.27Å; Q162-S166 PolarHBondContact O-N 3.2Å; Q162-S166 PolarHBondContact O-OG 2.97Å |
| 163 | I | 88.3 | Confident | 81.2 | Confident | 84 Ų | 84 | 106.7 Ų | 106.7 | 43% | 0.431 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.3 | -49.9 | 177.1 | -67.2 | 166.5 | 0 | 0 | 0 | 110.1 | E159 L160 L165 S166 E167 | E159-I163 WeakPolarHBondContact O-CG1 3.46Å; E159-I163 PolarHBondContact O-N 2.89Å; L160-I163 PolarHBondContact O-N 2.71Å; I163-L165 VanDerWaalsContact C-N 3.29Å; I163-L165 PolarHBondContact O-N 2.77Å; I163-S166 WeakPolarHBondContact CA-OG 3.4Å; I163-S166 PolarHBondContact O-N 2.99Å; I163-S166 PolarHBondContact O-OG 3.22Å; I163-E167 HydrophobicContact CG2-CG 4.31Å; I163-E167 WeakPolarHBondContact O-CG 3.22Å; I163-E167 PolarHBondContact O-N 3.47Å |
| 164 | K | 87.8 | Confident | 79.7 | Confident | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.635 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59 | -38.7 | 179.3 | -173.5 | 173.2 | -176.3 | 174.2 | 0 | 112.9 | L160 R161 Q162 V168 | L160-K164 WeakPolarHBondContact O-CB 3.48Å; L160-K164 PolarHBondContact O-N 3.17Å; R161-K164 PolarHBondContact O-N 3.2Å; Q162-K164 PolarHBondContact O-N 2.69Å; K164-V168 WeakPolarHBondContact O-CG2 3.35Å; K164-V168 PolarHBondContact O-N 2.82Å |
| 165 | L | 87.4 | Confident | 77.9 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 60% | 0.602 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -39.1 | 176 | -73.6 | 169.8 | 0 | 0 | 0 | 111.8 | R161 Q162 I163 Q169 | R161-L165 HydrophobicContact CG-CD1 4.35Å; R161-L165 WeakPolarHBondContact O-CG 3.44Å; R161-L165 PolarHBondContact O-N 3.47Å; Q162-L165 PolarHBondContact O-N 3.27Å; I163-L165 VanDerWaalsContact C-N 3.29Å; I163-L165 PolarHBondContact O-N 2.77Å; L165-Q169 PolarHBondContact O-N 2.73Å |
| 166 | S | 82.6 | Confident | 76.1 | Confident | 61 Ų | 61 | 112.6 Ų | 112.6 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -37.6 | 176.6 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | Q162 I163 Q169 T170 | Q162-S166 PolarHBondContact O-N 3.2Å; Q162-S166 PolarHBondContact O-OG 2.97Å; I163-S166 WeakPolarHBondContact CA-OG 3.4Å; I163-S166 PolarHBondContact O-N 2.99Å; I163-S166 PolarHBondContact O-OG 3.22Å; S166-Q169 WeakPolarHBondContact O-CB 3.49Å; S166-Q169 PolarHBondContact O-N 3.36Å; S166-T170 PolarHBondContact O-N 2.87Å |
| 167 | E | 78.4 | Confident | 74.3 | Confident | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.8 | -44.7 | 176.9 | -76 | 177.8 | 174.3 | 0 | 0 | 111.8 | I163 Q169 T170 D171 | I163-E167 HydrophobicContact CG2-CG 4.31Å; I163-E167 WeakPolarHBondContact O-CG 3.22Å; I163-E167 PolarHBondContact O-N 3.47Å; E167-Q169 PolarHBondContact O-N 2.65Å; E167-T170 WeakPolarHBondContact CA-OG1 3.41Å; E167-T170 PolarHBondContact O-N 3.4Å; E167-T170 PolarHBondContact O-OG1 3.09Å; E167-D171 PolarHBondContact O-N 2.8Å; E167-D171 VanDerWaalsContact O-N 3.16Å |
| 168 | V | 69.9 | Low | 72.6 | Confident | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.7 | -32.4 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | K164 | K164-V168 WeakPolarHBondContact O-CG2 3.35Å; K164-V168 PolarHBondContact O-N 2.82Å |
| 169 | Q | 61.1 | Low | 71 | Confident | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.7 | -30.4 | 176.3 | -169.8 | 174.2 | -9.4 | 0 | 0 | 112.3 | L165 S166 E167 | L165-Q169 PolarHBondContact O-N 2.73Å; S166-Q169 WeakPolarHBondContact O-CB 3.49Å; S166-Q169 PolarHBondContact O-N 3.36Å; E167-Q169 PolarHBondContact O-N 2.65Å |
| 170 | T | 59.9 | Low | 69.5 | Low | 97 Ų | 97 | 122.8 Ų | 122.8 | 60% | 0.595 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.4 | -27.6 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | S166 E167 I172 S173 | S166-T170 PolarHBondContact O-N 2.87Å; E167-T170 WeakPolarHBondContact CA-OG1 3.41Å; E167-T170 PolarHBondContact O-N 3.4Å; E167-T170 PolarHBondContact O-OG1 3.09Å; T170-I172 VanDerWaalsContact C-N 3.26Å; T170-I172 PolarHBondContact O-N 2.59Å; T170-S173 PolarHBondContact O-N 3.46Å |
| 171 | D | 56.9 | Low | 68.3 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -21.6 | 178.2 | -81.7 | -19.8 | 0 | 0 | 0 | 113.6 | E167 | E167-D171 PolarHBondContact O-N 2.8Å; E167-D171 VanDerWaalsContact O-N 3.16Å |
| 172 | I | 58.5 | Low | 67.2 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 30.5 | -179.7 | -40.5 | 174.4 | 0 | 0 | 0 | 110.7 | T170 | T170-I172 VanDerWaalsContact C-N 3.26Å; T170-I172 PolarHBondContact O-N 2.59Å |
| 173 | S | 55.7 | Low | 66.4 | Low | 76 Ų | 76 | 121.7 Ų | 121.7 | 53% | 0.531 | 64% | 0.643 | S | S | . | * | trans | -98.4 | 132.2 | 172.7 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | T170 D175 | T170-S173 PolarHBondContact O-N 3.46Å; S173-D175 PolarHBondContact O-N 3.05Å; S173-D175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | V | 60.7 | Low | 66.2 | Low | 141 Ų | 141 | 120.4 Ų | 120.4 | 86% | 0.855 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -72.6 | -1.3 | 179.5 | -156.2 | 0 | 0 | 0 | 0 | 112 | T176 | V174-T176 PolarHBondContact O-N 3.05Å; V174-T176 VanDerWaalsContact O-N 3.12Å |
| 175 | D | 54.6 | Low | 66.1 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | trans | -86.5 | 76.8 | -179.6 | -115.9 | -28.9 | 0 | 0 | 0 | 111.2 | S173 K177 | S173-D175 PolarHBondContact O-N 3.05Å; S173-D175 VanDerWaalsContact O-N 3.16Å; D175-K177 PolarHBondContact O-N 3.01Å | ||
| 176 | T | 57.3 | Low | 66.3 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -59 | -11.9 | 171.5 | -41.5 | 0 | 0 | 0 | 0 | 112.7 | V174 Q178 | V174-T176 PolarHBondContact O-N 3.05Å; V174-T176 VanDerWaalsContact O-N 3.12Å; T176-Q178 VanDerWaalsContact C-N 3.31Å; T176-Q178 PolarHBondContact O-N 3.25Å |
| 177 | K | 55.3 | Low | 66.7 | Low | 172 Ų | 172 | 113.5 Ų | 113.5 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -70.2 | -18.6 | -172.3 | -66 | -178.3 | -179.4 | 175.2 | 0 | 115 | D175 | D175-K177 PolarHBondContact O-N 3.01Š|
| 178 | Q | 56 | Low | 67.3 | Low | 175 Ų | 175 | 110.2 Ų | 110.2 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -90.4 | -11.6 | -176.6 | -73.4 | -172.8 | -6.2 | 0 | 0 | 114.5 | T176 T180 | T176-Q178 VanDerWaalsContact C-N 3.31Å; T176-Q178 PolarHBondContact O-N 3.25Å; Q178-T180 VanDerWaalsContact C-N 3.32Å; Q178-T180 PolarHBondContact O-N 3.29Å |
| 179 | Q | 58.8 | Low | 68.4 | Low | 172 Ų | 172 | 109.3 Ų | 109.3 | 80% | 0.804 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -76.8 | -16.7 | -176.1 | -75.3 | -171.7 | -10.9 | 0 | 0 | 114 | ||
| 180 | T | 59.5 | Low | 69.8 | Low | 93 Ų | 93 | 109 Ų | 109 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -122.8 | 131.5 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | Q178 Q182 | Q178-T180 VanDerWaalsContact C-N 3.32Å; Q178-T180 PolarHBondContact O-N 3.29Å; T180-Q182 PolarHBondContact O-N 3.47Å |
| 181 | L | 66.3 | Low | 71.4 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 88% | 0.88 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136.1 | 166.8 | -68.7 | 166.6 | 0 | 0 | 0 | 109.1 | G183 | L181-G183 PolarHBondContact O-N 3.49Å; L181-G183 VanDerWaalsContact O-N 3.16Å |
| 182 | Q | 67.3 | Low | 73.1 | Confident | 192 Ų | 192 | 102.1 Ų | 102.1 | 90% | 0.897 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56 | 122.5 | 178 | -69.9 | -176.2 | -12.7 | 0 | 0 | 109.4 | T180 | T180-Q182 PolarHBondContact O-N 3.47Š|
| 183 | G | 72.4 | Confident | 74.6 | Confident | 34 Ų | 34 | 96.9 Ų | 96.9 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -62 | 153.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L181 S280 N284 | L181-G183 PolarHBondContact O-N 3.49Å; L181-G183 VanDerWaalsContact O-N 3.16Å; G183-S280 WeakPolarHBondContact CA-O 3.38Å; G183-N284 PolarHBondContact O-ND2 3.05Å |
| 184 | V | 83.8 | Confident | 76.3 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 35% | 0.352 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 126.2 | 176.8 | 178 | 0 | 0 | 0 | 0 | 109.4 | F186 S280 C281 N284 | V184-F186 HydrophobicContact CG1-CD1 3.66Å; V184-F186 HydrophobicContact CG1-CE1 3.41Å; V184-F186 VanDerWaalsContact CG1-CE1 3.41Å; V184-F186 HydrophobicContact CG1-CZ 4.2Å; V184-S280 PolarHBondContact N-O 2.77Å; V184-S280 VanDerWaalsContact N-O 3.11Å; V184-C281 WeakPolarHBondContact O-CA 3.37Å; V184-N284 PolarHBondContact N-ND2 3.46Å; V184-N284 PolarHBondContact O-ND2 3.18Å |
| 185 | A | 86.3 | Confident | 77.9 | Confident | 78 Ų | 78 | 90.4 Ų | 90.4 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | trans | -102.4 | 94.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N284 | A185-N284 WeakPolarHBondContact CA-ND2 3.38Å; A185-N284 HydrophobicContact CB-CB 4.48Å; A185-N284 PolarHBondContact N-ND2 2.91Å | ||
| 186 | F | 90.6 | Very high | 79.6 | Confident | 24 Ų | 24 | 86 Ų | 86 | 11% | 0.105 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 136.5 | 173.7 | -76.2 | -1.8 | 0 | 0 | 0 | 111.8 | V184 I211 E216 I218 L277 | V184-F186 HydrophobicContact CG1-CD1 3.66Å; V184-F186 HydrophobicContact CG1-CE1 3.41Å; V184-F186 VanDerWaalsContact CG1-CE1 3.41Å; V184-F186 HydrophobicContact CG1-CZ 4.2Å; F186-I211 HydrophobicContact CD2-CG2 3.71Å; F186-I211 HydrophobicContact CE2-CG2 3.62Å; F186-E216 WeakPolarHBondContact CB-O 3.27Å; F186-E216 HydrophobicContact CD1-CB 4.06Å; F186-E216 HydrophobicContact CD2-CB 4.4Å; F186-E216 HydrophobicContact CE1-CB 3.59Å; F186-E216 HydrophobicContact CE1-CG 3.99Å; F186-E216 HydrophobicContact CE2-CB 3.97Å; F186-E216 HydrophobicContact CE2-CG 4.32Å; F186-E216 HydrophobicContact CG-CB 4.44Å; F186-E216 VanDerWaalsContact CG-O 3.28Å; F186-E216 WeakPolarHBondContact CG-O 3.47Å; F186-E216 HydrophobicContact CZ-CB 3.53Å; F186-E216 HydrophobicContact CZ-CG 3.65Å; F186-I218 HydrophobicContact CB-CD1 4.4Å; F186-I218 HydrophobicContact CB-CG1 4.06Å; F186-L277 HydrophobicContact CE2-CD2 4.01Å; F186-L277 HydrophobicContact CZ-CD2 3.62Å |
| 187 | P | 90.6 | Very high | 81.2 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 143.7 | 173.1 | 28.2 | -35.4 | 0 | 0 | 0 | 111 | E216 M217 I218 | P187-E216 WeakPolarHBondContact CD-O 3.37Å; P187-M217 HydrophobicContact CB-CE 4.08Å; P187-M217 HydrophobicContact CG-CE 3.91Å; P187-M217 HydrophobicContact CG-CG 4.03Å; P187-M217 WeakPolarHBondContact O-CA 3.48Å; P187-I218 PolarHBondContact O-N 2.7Å |
| 188 | I | 91.1 | Very high | 83 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 131.7 | 177.8 | -55.7 | -170.7 | 0 | 0 | 0 | 108.9 | A192 A193 I218 L285 M288 | I188-A192 HydrophobicContact CG2-CB 3.57Å; I188-A193 HydrophobicContact CG2-CB 4.33Å; I188-I218 HydrophobicContact CG1-CB 4.23Å; I188-I218 HydrophobicContact CG1-CD1 4.22Å; I188-L285 HydrophobicContact CD1-CD1 3.4Å; I188-L285 HydrophobicContact CG1-CD1 4.4Å; I188-M288 HydrophobicContact CD1-CE 3.18Å; I188-M288 HydrophobicContact CD1-SD 4.28Å; I188-M288 HydrophobicContact CG1-CE 4.49Å |
| 189 | H | 93.7 | Very high | 84.7 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 147.6 | 174.1 | -166.2 | -99.1 | 0 | 0 | 0 | 110.8 | D191 A192 A193 I218 R219 | H189-D191 VanDerWaalsContact C-N 3.29Å; H189-D191 IonicContact CE1-OD1 2.8Å; H189-D191 IonicContact CE1-OD2 2.67Å; H189-D191 PolarHBondContact CE1-OD2 2.9Å; H189-D191 PolarHBondContact ND1-N 2.87Å; H189-D191 IonicContact ND1-OD1 2.71Å; H189-D191 IonicContact ND1-OD2 3.09Å; H189-D191 PolarHBondContact ND1-OD2 3.45Å; H189-D191 VanDerWaalsContact ND1-OD2 3.12Å; H189-D191 PolarHBondContact O-N 3.14Å; H189-A192 WeakPolarHBondContact O-CB 3.46Å; H189-A192 PolarHBondContact O-N 3.02Å; H189-A193 PolarHBondContact O-N 3.01Å; H189-A193 VanDerWaalsContact O-N 3.1Å; H189-I218 WeakPolarHBondContact CB-O 3.37Å; H189-I218 PolarHBondContact N-O 3.27Å; H189-R219 HydrophobicContact CB-CG 4.16Å |
| 190 | K | 91.2 | Very high | 86.1 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 65% | 0.648 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.9 | -45.6 | -175.6 | -171.5 | 179.1 | 174.6 | -175.5 | 0 | 112.5 | A192 A193 D194 | K190-A192 VanDerWaalsContact C-N 3.27Å; K190-A192 PolarHBondContact O-N 3.43Å; K190-A193 WeakPolarHBondContact O-CB 3.48Å; K190-A193 PolarHBondContact O-N 3.39Å; K190-A193 VanDerWaalsContact O-N 3.1Å; K190-D194 PolarHBondContact O-N 3.02Å |
| 191 | D | 92.9 | Very high | 87.5 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 179.8 | -48.1 | -24.5 | 0 | 0 | 0 | 113.1 | H189 A195 L220 | H189-D191 VanDerWaalsContact C-N 3.29Å; H189-D191 IonicContact CE1-OD1 2.8Å; H189-D191 IonicContact CE1-OD2 2.67Å; H189-D191 PolarHBondContact CE1-OD2 2.9Å; H189-D191 PolarHBondContact ND1-N 2.87Å; H189-D191 IonicContact ND1-OD1 2.71Å; H189-D191 IonicContact ND1-OD2 3.09Å; H189-D191 PolarHBondContact ND1-OD2 3.45Å; H189-D191 VanDerWaalsContact ND1-OD2 3.12Å; H189-D191 PolarHBondContact O-N 3.14Å; D191-A195 WeakPolarHBondContact O-CB 3.27Å; D191-A195 PolarHBondContact O-N 3.44Å; D191-L220 HydrophobicContact CB-CB 4.44Å; D191-L220 HydrophobicContact CB-CD2 4.37Å |
| 192 | A | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I188 H189 K190 A195 L196 L209 L220 | I188-A192 HydrophobicContact CG2-CB 3.57Å; H189-A192 WeakPolarHBondContact O-CB 3.46Å; H189-A192 PolarHBondContact O-N 3.02Å; K190-A192 VanDerWaalsContact C-N 3.27Å; K190-A192 PolarHBondContact O-N 3.43Å; A192-A195 PolarHBondContact O-N 3.23Å; A192-L196 VanDerWaalsContact O-CG 3.29Å; A192-L196 WeakPolarHBondContact O-CG 3.47Å; A192-L196 PolarHBondContact O-N 3.34Å; A192-L209 HydrophobicContact CB-CD2 3.68Å; A192-L220 HydrophobicContact CB-CB 4.12Å |
| 193 | A | 90.8 | Very high | 89.6 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I188 H189 K190 L196 A197 | I188-A193 HydrophobicContact CG2-CB 4.33Å; H189-A193 PolarHBondContact O-N 3.01Å; H189-A193 VanDerWaalsContact O-N 3.1Å; K190-A193 WeakPolarHBondContact O-CB 3.48Å; K190-A193 PolarHBondContact O-N 3.39Å; K190-A193 VanDerWaalsContact O-N 3.1Å; A193-L196 PolarHBondContact O-N 2.96Å; A193-A197 PolarHBondContact O-N 3.34Å |
| 194 | D | 92 | Very high | 90.6 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.3 | -67.6 | -18.3 | 0 | 0 | 0 | 111 | K190 A197 H198 | K190-D194 PolarHBondContact O-N 3.02Å; D194-A197 WeakPolarHBondContact O-CB 3.5Å; D194-A197 PolarHBondContact O-N 2.79Å; D194-H198 PolarHBondContact O-CD2 3.24Å; D194-H198 PolarHBondContact O-N 3.48Å |
| 195 | A | 93 | Very high | 91 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D191 A192 A197 H198 F199 V207 L220 T223 | D191-A195 WeakPolarHBondContact O-CB 3.27Å; D191-A195 PolarHBondContact O-N 3.44Å; A192-A195 PolarHBondContact O-N 3.23Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A195-H198 PolarHBondContact O-N 3.46Å; A195-F199 WeakPolarHBondContact O-CB 3.44Å; A195-F199 PolarHBondContact O-N 2.97Å; A195-V207 HydrophobicContact CB-CG1 4.23Å; A195-V207 HydrophobicContact CB-CG2 4.38Å; A195-L220 HydrophobicContact CB-CD1 3.69Å; A195-L220 HydrophobicContact CB-CD2 3.86Å; A195-L220 HydrophobicContact CB-CG 4.41Å; A195-T223 HydrophobicContact CB-CG2 3.9Å |
| 196 | L | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 174.5 | -71.7 | 169.4 | 0 | 0 | 0 | 111.9 | A192 A193 F199 K200 V207 L209 F244 V289 L293 M295 | A192-L196 VanDerWaalsContact O-CG 3.29Å; A192-L196 WeakPolarHBondContact O-CG 3.47Å; A192-L196 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 2.96Å; L196-F199 PolarHBondContact O-N 3.45Å; L196-K200 PolarHBondContact O-N 3.35Å; L196-V207 HydrophobicContact CD2-CG1 4.37Å; L196-L209 HydrophobicContact CD1-CD1 4.32Å; L196-F244 HydrophobicContact CD2-CD1 4.36Å; L196-F244 HydrophobicContact CD2-CD2 3.63Å; L196-F244 HydrophobicContact CD2-CE1 4.46Å; L196-F244 HydrophobicContact CD2-CE2 3.76Å; L196-F244 HydrophobicContact CD2-CG 3.95Å; L196-F244 HydrophobicContact CD2-CZ 4.18Å; L196-V289 HydrophobicContact CD1-CG2 4.12Å; L196-L293 HydrophobicContact CB-CD1 3.9Å; L196-L293 HydrophobicContact CD1-CD1 4.13Å; L196-M295 WeakPolarHBondContact O-CE 3.29Å |
| 197 | A | 91.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A193 D194 A195 F199 K200 E201 | A193-A197 PolarHBondContact O-N 3.34Å; D194-A197 WeakPolarHBondContact O-CB 3.5Å; D194-A197 PolarHBondContact O-N 2.79Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A197-F199 VanDerWaalsContact C-N 3.32Å; A197-F199 PolarHBondContact O-N 3.23Å; A197-K200 WeakPolarHBondContact O-CB 3.27Å; A197-K200 PolarHBondContact O-N 2.99Å; A197-E201 PolarHBondContact O-N 2.94Å; A197-E201 VanDerWaalsContact O-N 3.1Å |
| 198 | H | 91.8 | Very high | 92 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 35% | 0.352 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.7 | -33.3 | 174 | -70.4 | -36.4 | 0 | 0 | 0 | 113.3 | D194 A195 E201 K202 R203 I204 | D194-H198 PolarHBondContact O-CD2 3.24Å; D194-H198 PolarHBondContact O-N 3.48Å; A195-H198 PolarHBondContact O-N 3.46Å; H198-E201 PolarHBondContact O-N 3.45Å; H198-K202 PolarHBondContact O-N 3.45Å; H198-R203 PolarHBondContact O-N 3.09Å; H198-I204 HydrophobicContact CB-CD1 3.64Å; H198-I204 HydrophobicContact CB-CG1 4.03Å |
| 199 | F | 91.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 172.1 | -177.2 | -86.1 | 0 | 0 | 0 | 111.4 | A195 L196 A197 E201 K202 I204 N205 V207 F244 L246 T259 M295 | A195-F199 WeakPolarHBondContact O-CB 3.44Å; A195-F199 PolarHBondContact O-N 2.97Å; L196-F199 PolarHBondContact O-N 3.45Å; A197-F199 VanDerWaalsContact C-N 3.32Å; A197-F199 PolarHBondContact O-N 3.23Å; F199-E201 VanDerWaalsContact C-N 3.33Å; F199-E201 PolarHBondContact O-N 2.84Å; F199-K202 WeakPolarHBondContact O-CA 3.34Å; F199-K202 PolarHBondContact O-N 3.07Å; F199-I204 WeakPolarHBondContact CD2-O 3.43Å; F199-N205 WeakPolarHBondContact CE2-O 3.45Å; F199-V207 HydrophobicContact CB-CG2 3.8Å; F199-V207 HydrophobicContact CD2-CG2 3.92Å; F199-V207 HydrophobicContact CG-CG2 4.13Å; F199-F244 HydrophobicContact CD1-CB 4.45Å; F199-F244 HydrophobicContact CD2-CB 4.5Å; F199-F244 HydrophobicContact CE1-CB 4.15Å; F199-F244 HydrophobicContact CE2-CB 4.15Å; F199-F244 HydrophobicContact CZ-CB 3.98Å; F199-L246 HydrophobicContact CE2-CB 4.07Å; F199-L246 HydrophobicContact CZ-CB 4.06Å; F199-T259 HydrophobicContact CE1-CG2 3.56Å; F199-T259 HydrophobicContact CZ-CG2 4Å; F199-M295 HydrophobicContact CD1-CE 3.68Å; F199-M295 HydrophobicContact CD1-SD 3.74Å; F199-M295 HydrophobicContact CE1-CE 4.46Å; F199-M295 HydrophobicContact CE1-SD 3.94Å |
| 200 | K | 89.6 | Confident | 92.2 | Very high | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59 | -43.5 | 173.7 | -172.5 | -172.1 | 178.8 | 178.5 | 0 | 112.1 | L196 A197 K202 L293 Q294 M295 | L196-K200 PolarHBondContact O-N 3.35Å; A197-K200 WeakPolarHBondContact O-CB 3.27Å; A197-K200 PolarHBondContact O-N 2.99Å; K200-K202 PolarHBondContact O-N 3.01Å; K200-K202 VanDerWaalsContact O-N 3.14Å; K200-L293 VanDerWaalsContact CD-O 3.23Å; K200-L293 WeakPolarHBondContact CD-O 3.24Å; K200-L293 WeakPolarHBondContact CE-O 3.09Å; K200-L293 PolarHBondContact NZ-O 3.4Å; K200-Q294 WeakPolarHBondContact CE-O 3.48Å; K200-M295 HydrophobicContact CB-CE 3.76Å |
| 201 | E | 89.3 | Confident | 92.4 | Very high | 109 Ų | 109 | 45.4 Ų | 45.4 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 2.5 | 175.6 | -66.7 | 179.6 | 176.6 | 0 | 0 | 113.2 | A197 H198 F199 R203 | A197-E201 PolarHBondContact O-N 2.94Å; A197-E201 VanDerWaalsContact O-N 3.1Å; H198-E201 PolarHBondContact O-N 3.45Å; F199-E201 VanDerWaalsContact C-N 3.33Å; F199-E201 PolarHBondContact O-N 2.84Å; E201-R203 HydrophobicContact CB-CG 4.14Å; E201-R203 PolarHBondContact O-N 2.75Å; E201-R203 VanDerWaalsContact O-N 3.15Å; E201-R203 IonicContact OE2-CZ 2.74Å; E201-R203 IonicContact OE2-NE 2.69Å; E201-R203 PolarHBondContact OE2-NE 2.96Å; E201-R203 VanDerWaalsContact OE2-NE 3.08Å; E201-R203 IonicContact OE2-NH1 2.83Å; E201-R203 PolarHBondContact OE2-NH1 3.15Å; E201-R203 IonicContact OE2-NH2 3.8Å; E201-R203 PolarHBondContact OE2-NH2 3.23Å; E201-R203 VanDerWaalsContact OE2-NH2 3.16Å |
| 202 | K | 87.7 | Confident | 92.3 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 23.1 | -177.4 | -56.8 | -178.8 | 170 | -167.2 | 0 | 113.9 | H198 F199 K200 I204 L246 E257 | H198-K202 PolarHBondContact O-N 3.45Å; F199-K202 WeakPolarHBondContact O-CA 3.34Å; F199-K202 PolarHBondContact O-N 3.07Å; K200-K202 PolarHBondContact O-N 3.01Å; K200-K202 VanDerWaalsContact O-N 3.14Å; K202-I204 VanDerWaalsContact C-N 3.34Å; K202-L246 HydrophobicContact CB-CD2 4.43Å; K202-L246 HydrophobicContact CG-CD2 4.39Å; K202-E257 WeakPolarHBondContact CD-OE2 3.38Å; K202-E257 WeakPolarHBondContact CE-OE2 3.45Å; K202-E257 IonicContact NZ-OE2 3.09Å; K202-E257 PolarHBondContact NZ-OE2 3.22Å |
| 203 | R | 89.3 | Confident | 92.1 | Very high | 179 Ų | 179 | 43.8 Ų | 43.8 | 68% | 0.675 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -73.6 | -31 | 173.1 | -67.3 | -174.6 | 179.7 | 165.5 | 10.5 | 111.7 | H198 E201 | H198-R203 PolarHBondContact O-N 3.09Å; E201-R203 HydrophobicContact CB-CG 4.14Å; E201-R203 PolarHBondContact O-N 2.75Å; E201-R203 VanDerWaalsContact O-N 3.15Å; E201-R203 IonicContact OE2-CZ 2.74Å; E201-R203 IonicContact OE2-NE 2.69Å; E201-R203 PolarHBondContact OE2-NE 2.96Å; E201-R203 VanDerWaalsContact OE2-NE 3.08Å; E201-R203 IonicContact OE2-NH1 2.83Å; E201-R203 PolarHBondContact OE2-NH1 3.15Å; E201-R203 IonicContact OE2-NH2 3.8Å; E201-R203 PolarHBondContact OE2-NH2 3.23Å; E201-R203 VanDerWaalsContact OE2-NH2 3.16Å |
| 204 | I | 92.7 | Very high | 92 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | trans | -120.9 | 141.8 | 178.7 | -50.7 | 175.6 | 0 | 0 | 0 | 107.7 | H198 F199 K202 Y206 | H198-I204 HydrophobicContact CB-CD1 3.64Å; H198-I204 HydrophobicContact CB-CG1 4.03Å; F199-I204 WeakPolarHBondContact CD2-O 3.43Å; K202-I204 VanDerWaalsContact C-N 3.34Å; I204-Y206 VanDerWaalsContact CG2-O 3.23Å; I204-Y206 WeakPolarHBondContact CG2-O 3.43Å | ||
| 205 | N | 93.2 | Very high | 91.8 | Very high | 33 Ų | 33 | 53 Ų | 53 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -100.1 | -7.9 | -178.5 | 63.9 | -1 | 0 | 0 | 0 | 113.9 | F199 P225 T226 L246 | F199-N205 WeakPolarHBondContact CE2-O 3.45Å; N205-P225 VanDerWaalsContact OD1-CA 3.3Å; N205-P225 WeakPolarHBondContact OD1-CA 3.38Å; N205-T226 PolarHBondContact ND2-N 2.95Å; N205-T226 PolarHBondContact ND2-O 2.85Å; N205-T226 PolarHBondContact OD1-N 2.69Å; N205-L246 HydrophobicContact CB-CB 4.22Å; N205-L246 PolarHBondContact O-N 3.27Å |
| 206 | Y | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 134.5 | -176.7 | 177.7 | -101.3 | 0 | 0 | 0 | 112 | I204 Q208 L231 R234 H243 F244 F245 | I204-Y206 VanDerWaalsContact CG2-O 3.23Å; I204-Y206 WeakPolarHBondContact CG2-O 3.43Å; Y206-Q208 HydrophobicContact CE1-CB 3.85Å; Y206-L231 HydrophobicContact CD2-CD1 4.06Å; Y206-L231 HydrophobicContact CE2-CD1 3.8Å; Y206-R234 HydrophobicContact CE1-CB 4.23Å; Y206-R234 HydrophobicContact CE1-CG 4.19Å; Y206-R234 HydrophobicContact CE2-CB 4.42Å; Y206-R234 VanDerWaalsContact OH-CB 3.31Å; Y206-R234 WeakPolarHBondContact OH-CB 3.49Å; Y206-H243 HydrophobicContact CE2-CB 3.95Å; Y206-H243 AromaticContact CE2-ND1 3.85Å; Y206-H243 AromaticContact CZ-ND1 3.65Å; Y206-H243 PolarHBondContact OH-CE1 2.78Å; Y206-H243 PolarHBondContact OH-ND1 3.17Å; Y206-F244 CarbonylContact C-O 3.46Å; Y206-F244 VanDerWaalsContact CA-O 3.29Å; Y206-F244 WeakPolarHBondContact CA-O 3.27Å; Y206-F245 HydrophobicContact CD2-CB 4.32Å; Y206-F245 HydrophobicContact CD2-CD2 4.12Å |
| 207 | V | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.7 | 174 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | A195 L196 F199 L209 L220 T223 H243 F244 | A195-V207 HydrophobicContact CB-CG1 4.23Å; A195-V207 HydrophobicContact CB-CG2 4.38Å; L196-V207 HydrophobicContact CD2-CG1 4.37Å; F199-V207 HydrophobicContact CB-CG2 3.8Å; F199-V207 HydrophobicContact CD2-CG2 3.92Å; F199-V207 HydrophobicContact CG-CG2 4.13Å; V207-L209 HydrophobicContact CG1-CD2 3.88Å; V207-L209 HydrophobicContact CG1-CG 4.25Å; V207-L220 HydrophobicContact CG1-CD1 3.7Å; V207-T223 HydrophobicContact CG2-CG2 4.48Å; V207-H243 CarbonylContact O-C 3.34Å; V207-H243 WeakPolarHBondContact O-CA 3.34Å; V207-F244 HydrophobicContact CB-CB 4.3Å; V207-F244 PolarHBondContact N-O 3.03Å; V207-F244 PolarHBondContact O-N 2.61Å |
| 208 | Q | 95.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.2 | 174.8 | -171.7 | 171.9 | 25.4 | 0 | 0 | 110.2 | Y206 C221 S222 R234 R241 Y242 H243 | Y206-Q208 HydrophobicContact CE1-CB 3.85Å; Q208-C221 HydrophobicContact CB-CB 4.31Å; Q208-C221 HydrophobicContact CG-CB 4.06Å; Q208-C221 WeakPolarHBondContact O-CB 3.28Å; Q208-C221 PolarHBondContact O-N 2.84Å; Q208-S222 PolarHBondContact N-O 3.42Å; Q208-S222 PolarHBondContact O-N 2.85Å; Q208-R234 PolarHBondContact NE2-O 3.07Å; Q208-R241 HydrophobicContact CG-CB 4.22Å; Q208-R241 HydrophobicContact CG-CG 4.31Å; Q208-Y242 CarbonylContact C-O 3.6Å; Q208-Y242 WeakPolarHBondContact CA-O 3.46Å; Q208-H243 PolarHBondContact NE2-CE1 3.46Å; Q208-H243 VanDerWaalsContact NE2-CE1 3.29Å |
| 209 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147.5 | 177.7 | -52.8 | 175.3 | 0 | 0 | 0 | 110.9 | A192 L196 V207 I218 R219 L220 R241 Y242 F244 L285 | A192-L209 HydrophobicContact CB-CD2 3.68Å; L196-L209 HydrophobicContact CD1-CD1 4.32Å; V207-L209 HydrophobicContact CG1-CD2 3.88Å; V207-L209 HydrophobicContact CG1-CG 4.25Å; L209-I218 HydrophobicContact CB-CG2 3.95Å; L209-I218 HydrophobicContact CD1-CG2 4.03Å; L209-I218 HydrophobicContact CG-CG2 4.44Å; L209-R219 VanDerWaalsContact CA-O 3.28Å; L209-R219 WeakPolarHBondContact CA-O 3.41Å; L209-L220 HydrophobicContact CD2-CD1 4.01Å; L209-R241 VanDerWaalsContact O-CD 3.3Å; L209-R241 WeakPolarHBondContact O-CD 3.44Å; L209-Y242 HydrophobicContact CB-CD2 4.41Å; L209-Y242 PolarHBondContact N-O 3.44Å; L209-Y242 PolarHBondContact O-N 2.82Å; L209-F244 HydrophobicContact CD1-CD2 4.35Å; L209-F244 HydrophobicContact CD1-CE2 3.86Å; L209-L285 HydrophobicContact CD1-CD1 4.4Å; L209-L285 HydrophobicContact CD1-CD2 4.21Å |
| 210 | E | 94.9 | Very high | 92.2 | Very high | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.1 | 173.2 | 70 | 179.5 | -166.6 | 0 | 0 | 110.6 | I218 R219 C221 R241 Y278 | E210-I218 CarbonylContact O-C 3.54Å; E210-R219 HydrophobicContact CG-CB 4.21Å; E210-R219 PolarHBondContact N-O 3.29Å; E210-R219 PolarHBondContact O-N 3.39Å; E210-C221 HydrophobicContact CB-CB 4.39Å; E210-C221 HydrophobicContact CG-CB 4.25Å; E210-R241 IonicContact OE2-CZ 3.85Å; E210-R241 VanDerWaalsContact OE2-CZ 3.32Å; E210-R241 IonicContact OE2-NE 3.23Å; E210-R241 PolarHBondContact OE2-NE 2.87Å; E210-R241 IonicContact OE2-NH2 3.74Å; E210-R241 PolarHBondContact OE2-NH2 2.68Å; E210-Y278 WeakPolarHBondContact CA-OH 3.34Å |
| 211 | I | 94.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.1 | 171.9 | -59.7 | -177.4 | 0 | 0 | 0 | 108.1 | F186 V213 I218 Y242 Y278 C281 | F186-I211 HydrophobicContact CD2-CG2 3.71Å; F186-I211 HydrophobicContact CE2-CG2 3.62Å; I211-V213 PolarHBondContact O-N 2.79Å; I211-I218 HydrophobicContact CG1-CG1 4.35Å; I211-Y242 HydrophobicContact CD1-CE2 3.94Å; I211-Y242 HydrophobicContact CG1-CE2 4.1Å; I211-Y278 HydrophobicContact CB-CD2 4.26Å; I211-Y278 HydrophobicContact CB-CE1 4.34Å; I211-Y278 HydrophobicContact CB-CE2 3.64Å; I211-Y278 HydrophobicContact CD1-CD1 3.91Å; I211-Y278 HydrophobicContact CD1-CD2 3.75Å; I211-Y278 HydrophobicContact CD1-CE1 4.13Å; I211-Y278 HydrophobicContact CD1-CE2 4Å; I211-Y278 HydrophobicContact CD1-CG 3.74Å; I211-Y278 HydrophobicContact CG1-CD1 4.17Å; I211-Y278 HydrophobicContact CG1-CD2 4.2Å; I211-Y278 HydrophobicContact CG1-CE1 3.86Å; I211-Y278 HydrophobicContact CG1-CE2 3.91Å; I211-Y278 HydrophobicContact CG1-CG 4.35Å; I211-Y278 PolarHBondContact N-OH 3.4Å; I211-C281 HydrophobicContact CD1-CB 3.96Å |
| 212 | D | 92.1 | Very high | 92.5 | Very high | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 105.9 | 164.7 | -175.7 | -19.3 | 0 | 0 | 0 | 108.1 | E214 K215 E216 M217 R219 | D212-E214 VanDerWaalsContact C-N 3.26Å; D212-E214 PolarHBondContact O-N 3.13Å; D212-E214 PolarHBondContact OD1-N 2.83Å; D212-K215 PolarHBondContact OD1-N 2.85Å; D212-K215 WeakPolarHBondContact OD2-CG 3.41Å; D212-E216 WeakPolarHBondContact O-CA 3.34Å; D212-E216 PolarHBondContact O-N 2.94Å; D212-M217 PolarHBondContact N-O 2.96Å; D212-M217 PolarHBondContact O-N 2.78Å; D212-R219 IonicContact OD2-CZ 3.59Å; D212-R219 IonicContact OD2-NE 2.74Å; D212-R219 IonicContact OD2-NH1 3.12Å; D212-R219 PolarHBondContact OD2-NH1 2.96Å; D212-R219 IonicContact OD2-NH2 3.93Å; D212-R219 PolarHBondContact OD2-NH2 3.01Å |
| 213 | V | 87.4 | Confident | 92.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.4 | -176.1 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | I211 R273 E274 L277 | I211-V213 PolarHBondContact O-N 2.79Å; V213-R273 HydrophobicContact CG1-CG 4.3Å; V213-R273 PolarHBondContact O-NH2 2.84Å; V213-E274 HydrophobicContact CG2-CG 3.88Å; V213-L277 HydrophobicContact CB-CD1 4.4Å; V213-L277 HydrophobicContact CG1-CD1 3.8Å; V213-L277 HydrophobicContact CG2-CD1 4.19Å |
| 214 | E | 87.9 | Confident | 92.8 | Very high | 175 Ų | 175 | 47.4 Ų | 47.4 | 82% | 0.818 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -40.7 | -178.9 | -63.6 | -174 | 170.2 | 0 | 0 | 111.6 | D212 | D212-E214 VanDerWaalsContact C-N 3.26Å; D212-E214 PolarHBondContact O-N 3.13Å; D212-E214 PolarHBondContact OD1-N 2.83Å |
| 215 | K | 89.1 | Confident | 92.7 | Very high | 128 Ų | 128 | 50.8 Ų | 50.8 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.4 | -178.5 | -55.6 | -159.8 | -151 | 162.1 | 0 | 113.9 | D212 M217 R219 | D212-K215 PolarHBondContact OD1-N 2.85Å; D212-K215 WeakPolarHBondContact OD2-CG 3.41Å; K215-M217 VanDerWaalsContact C-N 3.28Å; K215-M217 HydrophobicContact CB-CG 4.29Å; K215-M217 VanDerWaalsContact O-CG 3.29Å; K215-M217 WeakPolarHBondContact O-CG 3.42Å; K215-M217 PolarHBondContact O-N 2.61Å; K215-R219 VanDerWaalsContact CE-NH2 3.29Å; K215-R219 VanDerWaalsContact NZ-NH2 3.12Å |
| 216 | E | 91.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 44 | -179.6 | -61.8 | -172.5 | 164.5 | 0 | 0 | 112 | F186 P187 D212 | F186-E216 WeakPolarHBondContact CB-O 3.27Å; F186-E216 HydrophobicContact CD1-CB 4.06Å; F186-E216 HydrophobicContact CD2-CB 4.4Å; F186-E216 HydrophobicContact CE1-CB 3.59Å; F186-E216 HydrophobicContact CE1-CG 3.99Å; F186-E216 HydrophobicContact CE2-CB 3.97Å; F186-E216 HydrophobicContact CE2-CG 4.32Å; F186-E216 HydrophobicContact CG-CB 4.44Å; F186-E216 VanDerWaalsContact CG-O 3.28Å; F186-E216 WeakPolarHBondContact CG-O 3.47Å; F186-E216 HydrophobicContact CZ-CB 3.53Å; F186-E216 HydrophobicContact CZ-CG 3.65Å; P187-E216 WeakPolarHBondContact CD-O 3.37Å; D212-E216 WeakPolarHBondContact O-CA 3.34Å; D212-E216 PolarHBondContact O-N 2.94Å |
| 217 | M | 92.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.8 | -179 | -55.9 | -165.7 | 72.3 | 0 | 0 | 111.8 | P187 D212 K215 | P187-M217 HydrophobicContact CB-CE 4.08Å; P187-M217 HydrophobicContact CG-CE 3.91Å; P187-M217 HydrophobicContact CG-CG 4.03Å; P187-M217 WeakPolarHBondContact O-CA 3.48Å; D212-M217 PolarHBondContact N-O 2.96Å; D212-M217 PolarHBondContact O-N 2.78Å; K215-M217 VanDerWaalsContact C-N 3.28Å; K215-M217 HydrophobicContact CB-CG 4.29Å; K215-M217 VanDerWaalsContact O-CG 3.29Å; K215-M217 WeakPolarHBondContact O-CG 3.42Å; K215-M217 PolarHBondContact O-N 2.61Å |
| 218 | I | 94 | Very high | 91.9 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.2 | 173.3 | -55.4 | 176.4 | 0 | 0 | 0 | 108.9 | F186 P187 I188 H189 L209 E210 I211 L285 | F186-I218 HydrophobicContact CB-CD1 4.4Å; F186-I218 HydrophobicContact CB-CG1 4.06Å; P187-I218 PolarHBondContact O-N 2.7Å; I188-I218 HydrophobicContact CG1-CB 4.23Å; I188-I218 HydrophobicContact CG1-CD1 4.22Å; H189-I218 WeakPolarHBondContact CB-O 3.37Å; H189-I218 PolarHBondContact N-O 3.27Å; L209-I218 HydrophobicContact CB-CG2 3.95Å; L209-I218 HydrophobicContact CD1-CG2 4.03Å; L209-I218 HydrophobicContact CG-CG2 4.44Å; E210-I218 CarbonylContact O-C 3.54Å; I211-I218 HydrophobicContact CG1-CG1 4.35Å; I218-L285 HydrophobicContact CD1-CB 4.29Å; I218-L285 HydrophobicContact CD1-CD1 3.98Å; I218-L285 HydrophobicContact CD1-CD2 4.34Å; I218-L285 HydrophobicContact CD1-CG 4.43Å |
| 219 | R | 94 | Very high | 91.6 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 160.7 | -179 | -73.1 | -164.9 | 177.9 | 137.2 | 21.5 | 112.6 | H189 L209 E210 D212 K215 | H189-R219 HydrophobicContact CB-CG 4.16Å; L209-R219 VanDerWaalsContact CA-O 3.28Å; L209-R219 WeakPolarHBondContact CA-O 3.41Å; E210-R219 HydrophobicContact CG-CB 4.21Å; E210-R219 PolarHBondContact N-O 3.29Å; E210-R219 PolarHBondContact O-N 3.39Å; D212-R219 IonicContact OD2-CZ 3.59Å; D212-R219 IonicContact OD2-NE 2.74Å; D212-R219 IonicContact OD2-NH1 3.12Å; D212-R219 PolarHBondContact OD2-NH1 2.96Å; D212-R219 IonicContact OD2-NH2 3.93Å; D212-R219 PolarHBondContact OD2-NH2 3.01Å; K215-R219 VanDerWaalsContact CE-NH2 3.29Å; K215-R219 VanDerWaalsContact NZ-NH2 3.12Å |
| 220 | L | 95.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.9 | 172.6 | -173.6 | 64.7 | 0 | 0 | 0 | 109.8 | D191 A192 A195 V207 L209 T223 | D191-L220 HydrophobicContact CB-CB 4.44Å; D191-L220 HydrophobicContact CB-CD2 4.37Å; A192-L220 HydrophobicContact CB-CB 4.12Å; A195-L220 HydrophobicContact CB-CD1 3.69Å; A195-L220 HydrophobicContact CB-CD2 3.86Å; A195-L220 HydrophobicContact CB-CG 4.41Å; V207-L220 HydrophobicContact CG1-CD1 3.7Å; L209-L220 HydrophobicContact CD2-CD1 4.01Å; L220-T223 HydrophobicContact CD1-CG2 3.7Å; L220-T223 HydrophobicContact CD2-CG2 3.86Å; L220-T223 HydrophobicContact CG-CG2 4.17Å |
| 221 | C | 92.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 66 Ų | 66 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -51.5 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | Q208 E210 | Q208-C221 HydrophobicContact CB-CB 4.31Å; Q208-C221 HydrophobicContact CG-CB 4.06Å; Q208-C221 WeakPolarHBondContact O-CB 3.28Å; Q208-C221 PolarHBondContact O-N 2.84Å; E210-C221 HydrophobicContact CB-CB 4.39Å; E210-C221 HydrophobicContact CG-CB 4.25Å |
| 222 | S | 91.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 67.5 Ų | 67.5 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 148.1 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 112 | Q208 E224 | Q208-S222 PolarHBondContact N-O 3.42Å; Q208-S222 PolarHBondContact O-N 2.85Å; S222-E224 PolarHBondContact OG-N 3.4Å |
| 223 | T | 92.9 | Very high | 91.1 | Very high | 52 Ų | 52 | 73.8 Ų | 73.8 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | trans | -128.8 | 19 | 174.3 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | A195 V207 L220 | A195-T223 HydrophobicContact CB-CG2 3.9Å; V207-T223 HydrophobicContact CG2-CG2 4.48Å; L220-T223 HydrophobicContact CD1-CG2 3.7Å; L220-T223 HydrophobicContact CD2-CG2 3.86Å; L220-T223 HydrophobicContact CG-CG2 4.17Å | ||
| 224 | E | 90.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | trans | -62.7 | 135.7 | -176 | -73.2 | -178.2 | -150.1 | 0 | 0 | 111.5 | S222 T226 R234 | S222-E224 PolarHBondContact OG-N 3.4Å; E224-T226 PolarHBondContact O-N 3.1Å; E224-T226 VanDerWaalsContact O-N 3.11Å; E224-T226 PolarHBondContact O-OG1 3.32Å; E224-R234 IonicContact OE1-NH1 3.08Å; E224-R234 IonicContact OE2-CZ 3.16Å; E224-R234 IonicContact OE2-NH1 3.4Å; E224-R234 PolarHBondContact OE2-NH1 3.4Å; E224-R234 IonicContact OE2-NH2 2.94Å; E224-R234 PolarHBondContact OE2-NH2 3.08Å | ||
| 225 | P | 90.4 | Very high | 91.4 | Very high | 108 Ų | 108 | 67.6 Ų | 67.6 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | trans | -53.5 | 121.5 | 177.1 | -25.7 | 33.7 | 0 | 0 | 0 | 110.8 | N205 | N205-P225 VanDerWaalsContact OD1-CA 3.3Å; N205-P225 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 226 | T | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | trans | -126.8 | 125.7 | -175.3 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | N205 E224 D230 L231 R234 F245 | N205-T226 PolarHBondContact ND2-N 2.95Å; N205-T226 PolarHBondContact ND2-O 2.85Å; N205-T226 PolarHBondContact OD1-N 2.69Å; E224-T226 PolarHBondContact O-N 3.1Å; E224-T226 VanDerWaalsContact O-N 3.11Å; E224-T226 PolarHBondContact O-OG1 3.32Å; T226-D230 HydrophobicContact CG2-CB 4.22Å; T226-L231 HydrophobicContact CG2-CB 4.06Å; T226-L231 HydrophobicContact CG2-CD1 4.2Å; T226-R234 HydrophobicContact CG2-CG 3.75Å; T226-R234 PolarHBondContact OG1-NE 3.41Å; T226-F245 HydrophobicContact CG2-CE2 4.49Å; T226-F245 WeakPolarHBondContact O-CE2 3.46Å | ||
| 227 | E | 90.6 | Very high | 91.4 | Very high | 130 Ų | 130 | 64.3 Ų | 64.3 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | trans | -95.1 | 167.4 | 167.8 | -65.9 | -169.2 | 176.9 | 0 | 0 | 110.3 | K229 D230 L231 | E227-K229 PolarHBondContact O-N 3.13Å; E227-D230 PolarHBondContact O-N 3.15Å; E227-L231 PolarHBondContact O-N 2.87Å | ||
| 228 | L | 87.5 | Confident | 91.3 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -33.4 | -179 | -174.2 | 67.6 | 0 | 0 | 0 | 113.5 | D230 P232 F245 Y247 M314 | L228-D230 VanDerWaalsContact C-N 3.31Å; L228-D230 PolarHBondContact O-N 3.35Å; L228-P232 WeakPolarHBondContact O-CD 3.36Å; L228-F245 HydrophobicContact CB-CZ 4.49Å; L228-F245 HydrophobicContact CD1-CE1 4.25Å; L228-Y247 HydrophobicContact CD1-CD2 4.17Å; L228-Y247 HydrophobicContact CD1-CE2 3.95Å; L228-Y247 HydrophobicContact CD2-CE2 4.1Å; L228-M314 HydrophobicContact CD1-CB 4.5Å; L228-M314 HydrophobicContact CD1-CG 4.06Å |
| 229 | K | 88.7 | Confident | 91.1 | Very high | 173 Ų | 173 | 68.4 Ų | 68.4 | 75% | 0.752 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -25.7 | 178.9 | -63 | 175.9 | -176.8 | 170 | 0 | 113.4 | E227 | E227-K229 PolarHBondContact O-N 3.13Š|
| 230 | D | 90.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -15 | -177.1 | -63.8 | -50.2 | 0 | 0 | 0 | 112.3 | T226 E227 L228 K233 R234 | T226-D230 HydrophobicContact CG2-CB 4.22Å; E227-D230 PolarHBondContact O-N 3.15Å; L228-D230 VanDerWaalsContact C-N 3.31Å; L228-D230 PolarHBondContact O-N 3.35Å; D230-K233 WeakPolarHBondContact O-CA 3.42Å; D230-K233 WeakPolarHBondContact O-CB 3.22Å; D230-K233 PolarHBondContact O-N 3.13Å; D230-K233 IonicContact OD1-NZ 2.65Å; D230-K233 PolarHBondContact OD1-NZ 3.31Å; D230-R234 PolarHBondContact O-N 2.91Å |
| 231 | L | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52.6 | -45.1 | 177.9 | -174.8 | 68.5 | 0 | 0 | 0 | 113.2 | Y206 T226 E227 K233 R234 F245 I262 L309 | Y206-L231 HydrophobicContact CD2-CD1 4.06Å; Y206-L231 HydrophobicContact CE2-CD1 3.8Å; T226-L231 HydrophobicContact CG2-CB 4.06Å; T226-L231 HydrophobicContact CG2-CD1 4.2Å; E227-L231 PolarHBondContact O-N 2.87Å; L231-K233 PolarHBondContact O-N 3.36Å; L231-K233 VanDerWaalsContact O-N 3.17Å; L231-R234 PolarHBondContact O-N 3.16Å; L231-F245 HydrophobicContact CD1-CB 4.28Å; L231-F245 HydrophobicContact CD1-CD1 4.49Å; L231-F245 HydrophobicContact CD1-CD2 3.9Å; L231-F245 HydrophobicContact CD1-CE2 4.35Å; L231-F245 HydrophobicContact CD1-CG 3.97Å; L231-F245 HydrophobicContact CD2-CD1 3.75Å; L231-F245 HydrophobicContact CD2-CD2 4.48Å; L231-F245 HydrophobicContact CD2-CE1 3.84Å; L231-F245 HydrophobicContact CD2-CG 4.07Å; L231-F245 HydrophobicContact CD2-CZ 4.26Å; L231-I262 HydrophobicContact CD2-CD1 4.07Å; L231-L309 HydrophobicContact CD2-CB 4.24Å; L231-L309 HydrophobicContact CD2-CD1 3.85Å; L231-L309 HydrophobicContact CD2-CG 4.48Å; L231-L309 HydrophobicContact CG-CD1 3.75Å |
| 232 | P | 92.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 61.9 Ų | 61.9 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.4 | -31.7 | 174 | -29.9 | 38.2 | 0 | 0 | 0 | 114.5 | L228 R234 G306 L309 | L228-P232 WeakPolarHBondContact O-CD 3.36Å; P232-R234 VanDerWaalsContact C-N 3.31Å; P232-G306 WeakPolarHBondContact CA-O 3.16Å; P232-G306 WeakPolarHBondContact CB-O 3.26Å; P232-L309 HydrophobicContact CG-CB 4.37Å |
| 233 | K | 91 | Very high | 91.4 | Very high | 156 Ų | 156 | 61 Ų | 61 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -77.8 | -18 | -178.5 | -56.1 | 173.6 | -170.3 | 157.2 | 0 | 112.4 | D230 L231 | D230-K233 WeakPolarHBondContact O-CA 3.42Å; D230-K233 WeakPolarHBondContact O-CB 3.22Å; D230-K233 PolarHBondContact O-N 3.13Å; D230-K233 IonicContact OD1-NZ 2.65Å; D230-K233 PolarHBondContact OD1-NZ 3.31Å; L231-K233 PolarHBondContact O-N 3.36Å; L231-K233 VanDerWaalsContact O-N 3.17Å |
| 234 | R | 90.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -84.2 | -16.8 | 179.7 | -60.1 | -57.6 | -173.4 | -177.6 | -0.6 | 113.5 | Y206 Q208 E224 T226 D230 L231 P232 P236 | Y206-R234 HydrophobicContact CE1-CB 4.23Å; Y206-R234 HydrophobicContact CE1-CG 4.19Å; Y206-R234 HydrophobicContact CE2-CB 4.42Å; Y206-R234 VanDerWaalsContact OH-CB 3.31Å; Y206-R234 WeakPolarHBondContact OH-CB 3.49Å; Q208-R234 PolarHBondContact NE2-O 3.07Å; E224-R234 IonicContact OE1-NH1 3.08Å; E224-R234 IonicContact OE2-CZ 3.16Å; E224-R234 IonicContact OE2-NH1 3.4Å; E224-R234 PolarHBondContact OE2-NH1 3.4Å; E224-R234 IonicContact OE2-NH2 2.94Å; E224-R234 PolarHBondContact OE2-NH2 3.08Å; T226-R234 HydrophobicContact CG2-CG 3.75Å; T226-R234 PolarHBondContact OG1-NE 3.41Å; D230-R234 PolarHBondContact O-N 2.91Å; L231-R234 PolarHBondContact O-N 3.16Å; P232-R234 VanDerWaalsContact C-N 3.31Å; R234-P236 VanDerWaalsContact O-CD 3.28Å; R234-P236 WeakPolarHBondContact O-CD 3.32Å |
| 235 | V | 92.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -81.1 | 114.7 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | I303 L309 | V235-I303 HydrophobicContact CG1-CD1 4.45Å; V235-I303 HydrophobicContact CG2-CD1 4.18Å; V235-L309 HydrophobicContact CG2-CD1 3.78Å |
| 236 | P | 91.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | trans | -70.3 | 144.7 | 178.2 | -17.1 | 33.2 | 0 | 0 | 0 | 111.1 | R234 R241 | R234-P236 VanDerWaalsContact O-CD 3.28Å; R234-P236 WeakPolarHBondContact O-CD 3.32Å; P236-R241 HydrophobicContact CG-CG 3.79Å | ||
| 237 | K | 89.1 | Confident | 92 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 52% | 0.522 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -88.7 | -8.4 | 179.4 | -65.9 | -169.7 | 174.5 | -169.3 | 0 | 114.4 | P266 K269 | K237-P266 VanDerWaalsContact O-CB 3.26Å; K237-P266 WeakPolarHBondContact O-CB 3.4Å; K237-K269 WeakPolarHBondContact O-CD 3.33Å; K237-K269 PolarHBondContact O-NZ 3.29Å |
| 238 | D | 89.5 | Confident | 92.1 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -121 | -14.1 | -169.7 | -57.5 | -39.2 | 0 | 0 | 0 | 113.2 | K269 | D238-K269 IonicContact OD1-NZ 3.98Å; D238-K269 PolarHBondContact OD1-NZ 2.84Å |
| 239 | S | 89.7 | Confident | 92.3 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -144.9 | 149.4 | -179.7 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | R241 | S239-R241 VanDerWaalsContact CB-NH1 3.3Å; S239-R241 PolarHBondContact OG-NH1 3.17Å; S239-R241 PolarHBondContact OG-NH2 2.85Å |
| 240 | P | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -83.5 | 149 | -174.3 | 35.1 | -31.8 | 0 | 0 | 0 | 110.8 | Y263 S264 M265 C270 Y278 | P240-Y263 HydrophobicContact CB-CE2 4.35Å; P240-S264 WeakPolarHBondContact CA-O 3.5Å; P240-S264 WeakPolarHBondContact CB-O 3.24Å; P240-M265 HydrophobicContact CB-CE 4.37Å; P240-M265 HydrophobicContact CB-SD 3.29Å; P240-M265 WeakPolarHBondContact CB-SD 3.35Å; P240-M265 HydrophobicContact CG-SD 4.09Å; P240-C270 VanDerWaalsContact CD-SG 3.54Å; P240-Y278 HydrophobicContact CB-CD1 4.19Å; P240-Y278 HydrophobicContact CB-CD2 4.34Å; P240-Y278 HydrophobicContact CB-CE1 4.34Å; P240-Y278 HydrophobicContact CB-CE2 4.47Å; P240-Y278 HydrophobicContact CB-CG 4.18Å; P240-Y278 HydrophobicContact CG-CD1 4.25Å; P240-Y278 HydrophobicContact CG-CD2 3.6Å; P240-Y278 HydrophobicContact CG-CE1 4.21Å; P240-Y278 HydrophobicContact CG-CE2 3.54Å; P240-Y278 HydrophobicContact CG-CG 3.95Å; P240-Y278 VanDerWaalsContact O-CE1 3.27Å; P240-Y278 WeakPolarHBondContact O-CE1 3.22Å; P240-Y278 PolarHBondContact O-OH 3.39Å | ||
| 241 | R | 94.9 | Very high | 92.2 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.6 | -177.4 | -69.1 | -64.4 | -176.6 | -84.5 | 7 | 111.3 | Q208 L209 E210 P236 S239 H243 S264 | Q208-R241 HydrophobicContact CG-CB 4.22Å; Q208-R241 HydrophobicContact CG-CG 4.31Å; L209-R241 VanDerWaalsContact O-CD 3.3Å; L209-R241 WeakPolarHBondContact O-CD 3.44Å; E210-R241 IonicContact OE2-CZ 3.85Å; E210-R241 VanDerWaalsContact OE2-CZ 3.32Å; E210-R241 IonicContact OE2-NE 3.23Å; E210-R241 PolarHBondContact OE2-NE 2.87Å; E210-R241 IonicContact OE2-NH2 3.74Å; E210-R241 PolarHBondContact OE2-NH2 2.68Å; P236-R241 HydrophobicContact CG-CG 3.79Å; S239-R241 VanDerWaalsContact CB-NH1 3.3Å; S239-R241 PolarHBondContact OG-NH1 3.17Å; S239-R241 PolarHBondContact OG-NH2 2.85Å; R241-H243 WeakPolarHBondContact CB-NE2 3.31Å; R241-S264 PolarHBondContact N-O 3Å; R241-S264 VanDerWaalsContact N-O 3.1Å; R241-S264 PolarHBondContact N-OG 2.92Å; R241-S264 PolarHBondContact O-N 3.33Å; R241-S264 PolarHBondContact O-OG 3.04Å |
| 242 | Y | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 143.8 | 164.3 | -54.9 | -54.4 | 0 | 0 | 0 | 109.9 | Q208 L209 I211 F261 I262 Y263 Y278 K282 L285 | Q208-Y242 CarbonylContact C-O 3.6Å; Q208-Y242 WeakPolarHBondContact CA-O 3.46Å; L209-Y242 HydrophobicContact CB-CD2 4.41Å; L209-Y242 PolarHBondContact N-O 3.44Å; L209-Y242 PolarHBondContact O-N 2.82Å; I211-Y242 HydrophobicContact CD1-CE2 3.94Å; I211-Y242 HydrophobicContact CG1-CE2 4.1Å; Y242-F261 HydrophobicContact CD1-CE1 4.48Å; Y242-F261 HydrophobicContact CD1-CE2 4.03Å; Y242-F261 AromaticContact CD1-CZ 3.49Å; Y242-F261 HydrophobicContact CD1-CZ 3.49Å; Y242-F261 VanDerWaalsContact CD1-CZ 3.49Å; Y242-F261 HydrophobicContact CE1-CZ 4.03Å; Y242-F261 HydrophobicContact CG-CE2 4.13Å; Y242-F261 HydrophobicContact CG-CZ 4.05Å; Y242-I262 CarbonylContact C-O 3.55Å; Y242-I262 WeakPolarHBondContact CA-O 3.24Å; Y242-Y263 AromaticContact CD1-CD2 3.97Å; Y242-Y263 HydrophobicContact CD1-CD2 3.97Å; Y242-Y263 HydrophobicContact CD1-CG 4.32Å; Y242-Y263 AromaticContact CE1-CD2 3.84Å; Y242-Y263 HydrophobicContact CE1-CD2 3.84Å; Y242-Y263 HydrophobicContact CE1-CE2 4.32Å; Y242-Y263 HydrophobicContact CE1-CG 4.15Å; Y242-Y278 HydrophobicContact CD1-CD1 4.36Å; Y242-Y278 HydrophobicContact CD2-CD1 4.36Å; Y242-Y278 HydrophobicContact CD2-CE1 4.41Å; Y242-Y278 AromaticContact CE1-CD1 3.9Å; Y242-Y278 HydrophobicContact CE1-CD1 3.9Å; Y242-Y278 AromaticContact CE2-CD1 3.89Å; Y242-Y278 HydrophobicContact CE2-CD1 3.89Å; Y242-Y278 HydrophobicContact CE2-CE1 4.24Å; Y242-Y278 AromaticContact CZ-CD1 3.66Å; Y242-Y278 WeakPolarHBondContact OH-CA 3.48Å; Y242-Y278 PolarHBondContact OH-O 3.37Å; Y242-K282 HydrophobicContact CE1-CB 4.3Å; Y242-K282 HydrophobicContact CE1-CG 4.4Å; Y242-K282 PolarHBondContact OH-N 3.42Å; Y242-L285 HydrophobicContact CD2-CD2 3.48Å; Y242-L285 VanDerWaalsContact CD2-CD2 3.48Å; Y242-L285 HydrophobicContact CE2-CD2 3.73Å; Y242-L285 HydrophobicContact CG-CD2 3.98Å |
| 243 | H | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.3 | 179.7 | -44.5 | -97.6 | 0 | 0 | 0 | 109.2 | Y206 V207 Q208 R241 F261 I262 S264 | Y206-H243 HydrophobicContact CE2-CB 3.95Å; Y206-H243 AromaticContact CE2-ND1 3.85Å; Y206-H243 AromaticContact CZ-ND1 3.65Å; Y206-H243 PolarHBondContact OH-CE1 2.78Å; Y206-H243 PolarHBondContact OH-ND1 3.17Å; V207-H243 CarbonylContact O-C 3.34Å; V207-H243 WeakPolarHBondContact O-CA 3.34Å; Q208-H243 PolarHBondContact NE2-CE1 3.46Å; Q208-H243 VanDerWaalsContact NE2-CE1 3.29Å; R241-H243 WeakPolarHBondContact CB-NE2 3.31Å; H243-F261 CarbonylContact O-C 3.49Å; H243-F261 WeakPolarHBondContact O-CA 3.48Å; H243-I262 HydrophobicContact CB-CB 4.11Å; H243-I262 PolarHBondContact CD2-O 2.83Å; H243-I262 PolarHBondContact N-O 3.14Å; H243-I262 PolarHBondContact O-N 2.94Å; H243-S264 WeakPolarHBondContact NE2-CB 3.47Å; H243-S264 PolarHBondContact NE2-OG 3.21Å |
| 244 | F | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.1 | 163.9 | -68.8 | -95.4 | 0 | 0 | 0 | 107 | L196 F199 Y206 V207 L209 T259 F261 V289 M295 I297 | L196-F244 HydrophobicContact CD2-CD1 4.36Å; L196-F244 HydrophobicContact CD2-CD2 3.63Å; L196-F244 HydrophobicContact CD2-CE1 4.46Å; L196-F244 HydrophobicContact CD2-CE2 3.76Å; L196-F244 HydrophobicContact CD2-CG 3.95Å; L196-F244 HydrophobicContact CD2-CZ 4.18Å; F199-F244 HydrophobicContact CD1-CB 4.45Å; F199-F244 HydrophobicContact CD2-CB 4.5Å; F199-F244 HydrophobicContact CE1-CB 4.15Å; F199-F244 HydrophobicContact CE2-CB 4.15Å; F199-F244 HydrophobicContact CZ-CB 3.98Å; Y206-F244 CarbonylContact C-O 3.46Å; Y206-F244 VanDerWaalsContact CA-O 3.29Å; Y206-F244 WeakPolarHBondContact CA-O 3.27Å; V207-F244 HydrophobicContact CB-CB 4.3Å; V207-F244 PolarHBondContact N-O 3.03Å; V207-F244 PolarHBondContact O-N 2.61Å; L209-F244 HydrophobicContact CD1-CD2 4.35Å; L209-F244 HydrophobicContact CD1-CE2 3.86Å; F244-T259 HydrophobicContact CD1-CG2 4.43Å; F244-F261 HydrophobicContact CD1-CD2 4.25Å; F244-F261 HydrophobicContact CD2-CD2 4.38Å; F244-F261 HydrophobicContact CE1-CB 4.48Å; F244-F261 AromaticContact CE1-CD2 3.73Å; F244-F261 HydrophobicContact CE1-CD2 3.73Å; F244-F261 AromaticContact CE2-CD2 3.86Å; F244-F261 HydrophobicContact CE2-CD2 3.86Å; F244-F261 AromaticContact CE2-CE2 4Å; F244-F261 HydrophobicContact CE2-CE2 4Å; F244-F261 AromaticContact CZ-CD2 3.51Å; F244-F261 HydrophobicContact CZ-CD2 3.51Å; F244-F261 AromaticContact CZ-CE2 3.87Å; F244-F261 HydrophobicContact CZ-CE2 3.87Å; F244-V289 HydrophobicContact CE1-CG1 4.11Å; F244-V289 HydrophobicContact CE1-CG2 4.34Å; F244-V289 HydrophobicContact CZ-CG2 3.95Å; F244-M295 HydrophobicContact CD1-SD 4.29Å; F244-I297 HydrophobicContact CE1-CD1 3.92Å; F244-I297 HydrophobicContact CE1-CG1 4.49Å |
| 245 | F | 95.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.8 | -176.5 | 176.8 | -113.7 | 0 | 0 | 0 | 110.2 | Y206 T226 L228 L231 Y247 V260 I262 M314 | Y206-F245 HydrophobicContact CD2-CB 4.32Å; Y206-F245 HydrophobicContact CD2-CD2 4.12Å; T226-F245 HydrophobicContact CG2-CE2 4.49Å; T226-F245 WeakPolarHBondContact O-CE2 3.46Å; L228-F245 HydrophobicContact CB-CZ 4.49Å; L228-F245 HydrophobicContact CD1-CE1 4.25Å; L231-F245 HydrophobicContact CD1-CB 4.28Å; L231-F245 HydrophobicContact CD1-CD1 4.49Å; L231-F245 HydrophobicContact CD1-CD2 3.9Å; L231-F245 HydrophobicContact CD1-CE2 4.35Å; L231-F245 HydrophobicContact CD1-CG 3.97Å; L231-F245 HydrophobicContact CD2-CD1 3.75Å; L231-F245 HydrophobicContact CD2-CD2 4.48Å; L231-F245 HydrophobicContact CD2-CE1 3.84Å; L231-F245 HydrophobicContact CD2-CG 4.07Å; L231-F245 HydrophobicContact CD2-CZ 4.26Å; F245-Y247 HydrophobicContact CE1-CD2 4.01Å; F245-Y247 HydrophobicContact CE1-CG 4.49Å; F245-Y247 PolarHBondContact O-N 3.35Å; F245-V260 PolarHBondContact N-O 3.03Å; F245-V260 PolarHBondContact O-N 2.71Å; F245-I262 HydrophobicContact CB-CD1 4.47Å; F245-M314 HydrophobicContact CD1-CE 4.06Å; F245-M314 HydrophobicContact CE1-CE 4.36Å |
| 246 | L | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 96.6 | 176.5 | -172.9 | 65 | 0 | 0 | 0 | 109 | F199 K202 N205 K248 E257 | F199-L246 HydrophobicContact CE2-CB 4.07Å; F199-L246 HydrophobicContact CZ-CB 4.06Å; K202-L246 HydrophobicContact CB-CD2 4.43Å; K202-L246 HydrophobicContact CG-CD2 4.39Å; N205-L246 HydrophobicContact CB-CB 4.22Å; N205-L246 PolarHBondContact O-N 3.27Å; L246-K248 PolarHBondContact O-N 3.06Å; L246-K248 VanDerWaalsContact O-N 3.13Å; L246-E257 HydrophobicContact CD1-CB 3.99Å; L246-E257 HydrophobicContact CG-CB 4.36Å |
| 247 | Y | 93.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 56 Ų | 56 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 96.8 | -178.5 | -178.2 | -128.5 | 0 | 0 | 0 | 111.2 | L228 F245 H249 S258 M314 V318 | L228-Y247 HydrophobicContact CD1-CD2 4.17Å; L228-Y247 HydrophobicContact CD1-CE2 3.95Å; L228-Y247 HydrophobicContact CD2-CE2 4.1Å; F245-Y247 HydrophobicContact CE1-CD2 4.01Å; F245-Y247 HydrophobicContact CE1-CG 4.49Å; F245-Y247 PolarHBondContact O-N 3.35Å; Y247-H249 HydrophobicContact CD1-CB 4.1Å; Y247-H249 AromaticContact CD1-CE1 3.64Å; Y247-H249 AromaticContact CD1-CG 3.6Å; Y247-H249 AromaticContact CD1-ND1 3.17Å; Y247-H249 WeakPolarHBondContact CD1-ND1 3.31Å; Y247-H249 HydrophobicContact CE1-CB 3.54Å; Y247-H249 AromaticContact CE1-CD2 3.68Å; Y247-H249 AromaticContact CE1-CE1 3.84Å; Y247-H249 AromaticContact CE1-CG 3.23Å; Y247-H249 AromaticContact CE1-ND1 3.35Å; Y247-H249 VanDerWaalsContact CE1-ND1 3.35Å; Y247-H249 WeakPolarHBondContact CE1-ND1 3.48Å; Y247-H249 HydrophobicContact CE2-CB 4.01Å; Y247-H249 AromaticContact CG-ND1 3.89Å; Y247-H249 VanDerWaalsContact CZ-CB 3.49Å; Y247-H249 AromaticContact CZ-CG 3.76Å; Y247-H249 PolarHBondContact O-ND1 3.31Å; Y247-S258 WeakPolarHBondContact CB-O 3.45Å; Y247-S258 PolarHBondContact N-O 2.96Å; Y247-S258 PolarHBondContact O-N 3.31Å; Y247-M314 HydrophobicContact CD2-CB 4.49Å; Y247-M314 HydrophobicContact CD2-CE 4.21Å; Y247-M314 HydrophobicContact CE1-CB 4.33Å; Y247-M314 HydrophobicContact CE2-CB 4.01Å; Y247-M314 HydrophobicContact CG-CE 4.06Å; Y247-V318 HydrophobicContact CD1-CG2 4.09Å; Y247-V318 HydrophobicContact CE1-CG2 4.37Å |
| 248 | K | 92.3 | Very high | 91.7 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 47% | 0.47 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.6 | 174.1 | -66.8 | -179.5 | 176.5 | -165.9 | 0 | 110 | L246 Y255 E257 | L246-K248 PolarHBondContact O-N 3.06Å; L246-K248 VanDerWaalsContact O-N 3.13Å; K248-Y255 WeakPolarHBondContact CB-OH 3.5Å; K248-Y255 WeakPolarHBondContact CD-OH 3.33Å; K248-Y255 WeakPolarHBondContact CG-OH 3.39Å; K248-E257 WeakPolarHBondContact CE-OE1 3.32Å; K248-E257 HydrophobicContact CG-CG 4.18Å; K248-E257 IonicContact NZ-OE1 3.39Å |
| 249 | H | 91.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 167.9 | -176.8 | 67.5 | -69 | 0 | 0 | 0 | 111.6 | Y247 L256 S258 H319 | Y247-H249 HydrophobicContact CD1-CB 4.1Å; Y247-H249 AromaticContact CD1-CE1 3.64Å; Y247-H249 AromaticContact CD1-CG 3.6Å; Y247-H249 AromaticContact CD1-ND1 3.17Å; Y247-H249 WeakPolarHBondContact CD1-ND1 3.31Å; Y247-H249 HydrophobicContact CE1-CB 3.54Å; Y247-H249 AromaticContact CE1-CD2 3.68Å; Y247-H249 AromaticContact CE1-CE1 3.84Å; Y247-H249 AromaticContact CE1-CG 3.23Å; Y247-H249 AromaticContact CE1-ND1 3.35Å; Y247-H249 VanDerWaalsContact CE1-ND1 3.35Å; Y247-H249 WeakPolarHBondContact CE1-ND1 3.48Å; Y247-H249 HydrophobicContact CE2-CB 4.01Å; Y247-H249 AromaticContact CG-ND1 3.89Å; Y247-H249 VanDerWaalsContact CZ-CB 3.49Å; Y247-H249 AromaticContact CZ-CG 3.76Å; Y247-H249 PolarHBondContact O-ND1 3.31Å; H249-L256 PolarHBondContact N-O 3.22Å; H249-L256 PolarHBondContact O-N 3.35Å; H249-L256 VanDerWaalsContact O-O 3.06Å; H249-S258 PolarHBondContact CE1-OG 3.07Å; H249-H319 AromaticContact CD2-NE2 3.6Å; H249-H319 AromaticContact CE1-NE2 3.94Å; H249-H319 AromaticContact NE2-CD2 3.64Å; H249-H319 AromaticContact NE2-CE1 3.92Å; H249-H319 AromaticContact NE2-NE2 2.84Å; H249-H319 PolarHBondContact NE2-NE2 3.12Å |
| 250 | S | 90.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | D254 | S250-D254 CarbonylContact C-O 3.53Å; S250-D254 WeakPolarHBondContact CA-O 3.43Å; S250-D254 WeakPolarHBondContact CB-O 3.4Å; S250-D254 PolarHBondContact OG-O 3.49Å |
| 251 | H | 88.6 | Confident | 92.2 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.4 | 176.8 | -176.7 | -97.6 | 0 | 0 | 0 | 108.3 | G253 D254 L256 Y315 H319 | H251-G253 PolarHBondContact O-N 3.42Å; H251-D254 PolarHBondContact N-O 3.36Å; H251-D254 PolarHBondContact O-N 3.03Å; H251-L256 HydrophobicContact CB-CD1 3.88Å; H251-Y315 AromaticContact CD2-CZ 3.7Å; H251-Y315 PolarHBondContact CD2-OH 3.47Å; H251-H319 AromaticContact CD2-CD2 3.34Å; H251-H319 PolarHBondContact CD2-CD2 3.03Å; H251-H319 AromaticContact CD2-CE1 3.64Å; H251-H319 AromaticContact CD2-CG 3.24Å; H251-H319 AromaticContact CD2-ND1 3.46Å; H251-H319 PolarHBondContact CD2-ND1 3.37Å; H251-H319 AromaticContact CD2-NE2 3.57Å; H251-H319 AromaticContact CE1-ND1 3.85Å; H251-H319 AromaticContact CG-CD2 3.88Å; H251-H319 AromaticContact CG-CE1 3.58Å; H251-H319 AromaticContact CG-CG 3.97Å; H251-H319 AromaticContact CG-ND1 3.81Å; H251-H319 AromaticContact CG-NE2 3.61Å; H251-H319 AromaticContact ND1-CE1 3.95Å; H251-H319 AromaticContact NE2-CG 3.52Å; H251-H319 AromaticContact NE2-ND1 3.54Å |
| 252 | E | 86.6 | Confident | 92.2 | Very high | 172 Ų | 172 | 43.6 Ų | 43.6 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 23.4 | 178.2 | -66.9 | 178.4 | 170.6 | 0 | 0 | 115.8 | ||
| 253 | G | 85.1 | Confident | 92.2 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 69% | 0.691 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.4 | -12 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H251 | H251-G253 PolarHBondContact O-N 3.42Š|
| 254 | D | 90.4 | Very high | 92.1 | Very high | 116 Ų | 116 | 43.8 Ų | 43.8 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 149 | 173.8 | -70 | -32.2 | 0 | 0 | 0 | 111 | S250 H251 | S250-D254 CarbonylContact C-O 3.53Å; S250-D254 WeakPolarHBondContact CA-O 3.43Å; S250-D254 WeakPolarHBondContact CB-O 3.4Å; S250-D254 PolarHBondContact OG-O 3.49Å; H251-D254 PolarHBondContact N-O 3.36Å; H251-D254 PolarHBondContact O-N 3.03Å |
| 255 | Y | 91.6 | Very high | 92 | Very high | 144 Ų | 144 | 45.2 Ų | 45.2 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 175.1 | -179.4 | -95.3 | 0 | 0 | 0 | 109.7 | K248 E257 | K248-Y255 WeakPolarHBondContact CB-OH 3.5Å; K248-Y255 WeakPolarHBondContact CD-OH 3.33Å; K248-Y255 WeakPolarHBondContact CG-OH 3.39Å; Y255-E257 HydrophobicContact CD1-CG 4.44Å; Y255-E257 HydrophobicContact CE1-CG 3.73Å |
| 256 | L | 90.1 | Very high | 91.8 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.9 | -174.9 | -61.4 | 175 | 0 | 0 | 0 | 110.9 | H249 H251 | H249-L256 PolarHBondContact N-O 3.22Å; H249-L256 PolarHBondContact O-N 3.35Å; H249-L256 VanDerWaalsContact O-O 3.06Å; H251-L256 HydrophobicContact CB-CD1 3.88Å |
| 257 | E | 91 | Very high | 91.4 | Very high | 62 Ų | 62 | 46 Ų | 46 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 88.7 | 173.9 | -56.6 | -171 | 137.7 | 0 | 0 | 108.6 | K202 L246 K248 Y255 | K202-E257 WeakPolarHBondContact CD-OE2 3.38Å; K202-E257 WeakPolarHBondContact CE-OE2 3.45Å; K202-E257 IonicContact NZ-OE2 3.09Å; K202-E257 PolarHBondContact NZ-OE2 3.22Å; L246-E257 HydrophobicContact CD1-CB 3.99Å; L246-E257 HydrophobicContact CG-CB 4.36Å; K248-E257 WeakPolarHBondContact CE-OE1 3.32Å; K248-E257 HydrophobicContact CG-CG 4.18Å; K248-E257 IonicContact NZ-OE1 3.39Å; Y255-E257 HydrophobicContact CD1-CG 4.44Å; Y255-E257 HydrophobicContact CE1-CG 3.73Å |
| 258 | S | 91.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.4 | -175.3 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | Y247 H249 | Y247-S258 WeakPolarHBondContact CB-O 3.45Å; Y247-S258 PolarHBondContact N-O 2.96Å; Y247-S258 PolarHBondContact O-N 3.31Å; H249-S258 PolarHBondContact CE1-OG 3.07Å |
| 259 | T | 92.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 122 | 173.4 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | F199 F244 M295 E296 I297 E298 | F199-T259 HydrophobicContact CE1-CG2 3.56Å; F199-T259 HydrophobicContact CZ-CG2 4Å; F244-T259 HydrophobicContact CD1-CG2 4.43Å; T259-M295 HydrophobicContact CG2-SD 4.18Å; T259-E296 WeakPolarHBondContact CB-O 3.34Å; T259-I297 HydrophobicContact CG2-CG1 4.4Å; T259-E298 WeakPolarHBondContact O-CB 3.39Å; T259-E298 PolarHBondContact O-N 2.94Å |
| 260 | V | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.7 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | F245 I262 K299 L301 M314 V318 | F245-V260 PolarHBondContact N-O 3.03Å; F245-V260 PolarHBondContact O-N 2.71Å; V260-I262 HydrophobicContact CG1-CG1 3.96Å; V260-K299 HydrophobicContact CG1-CB 4.41Å; V260-L301 HydrophobicContact CG1-CD1 3.58Å; V260-L301 HydrophobicContact CG1-CG 3.88Å; V260-M314 HydrophobicContact CB-CE 3.99Å; V260-M314 HydrophobicContact CG1-CE 3.92Å; V260-M314 HydrophobicContact CG2-CE 3.8Å; V260-V318 HydrophobicContact CG2-CG2 4Å |
| 261 | F | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.7 | 169 | 174 | -96.5 | 0 | 0 | 0 | 108.9 | Y242 H243 F244 K282 L285 I286 I297 K299 K300 L301 | Y242-F261 HydrophobicContact CD1-CE1 4.48Å; Y242-F261 HydrophobicContact CD1-CE2 4.03Å; Y242-F261 AromaticContact CD1-CZ 3.49Å; Y242-F261 HydrophobicContact CD1-CZ 3.49Å; Y242-F261 VanDerWaalsContact CD1-CZ 3.49Å; Y242-F261 HydrophobicContact CE1-CZ 4.03Å; Y242-F261 HydrophobicContact CG-CE2 4.13Å; Y242-F261 HydrophobicContact CG-CZ 4.05Å; H243-F261 CarbonylContact O-C 3.49Å; H243-F261 WeakPolarHBondContact O-CA 3.48Å; F244-F261 HydrophobicContact CD1-CD2 4.25Å; F244-F261 HydrophobicContact CD2-CD2 4.38Å; F244-F261 HydrophobicContact CE1-CB 4.48Å; F244-F261 AromaticContact CE1-CD2 3.73Å; F244-F261 HydrophobicContact CE1-CD2 3.73Å; F244-F261 AromaticContact CE2-CD2 3.86Å; F244-F261 HydrophobicContact CE2-CD2 3.86Å; F244-F261 AromaticContact CE2-CE2 4Å; F244-F261 HydrophobicContact CE2-CE2 4Å; F244-F261 AromaticContact CZ-CD2 3.51Å; F244-F261 HydrophobicContact CZ-CD2 3.51Å; F244-F261 AromaticContact CZ-CE2 3.87Å; F244-F261 HydrophobicContact CZ-CE2 3.87Å; F261-K282 HydrophobicContact CE1-CD 4.09Å; F261-K282 HydrophobicContact CE1-CG 3.76Å; F261-K282 HydrophobicContact CZ-CG 3.94Å; F261-L285 HydrophobicContact CE2-CD2 4.28Å; F261-I286 HydrophobicContact CD1-CD1 3.85Å; F261-I286 HydrophobicContact CD1-CG1 4.35Å; F261-I286 HydrophobicContact CE1-CD1 3.76Å; F261-I286 HydrophobicContact CE1-CG1 4.28Å; F261-I286 HydrophobicContact CE2-CG1 4.43Å; F261-I286 HydrophobicContact CG-CD1 4.41Å; F261-I286 HydrophobicContact CG-CG1 4.47Å; F261-I286 HydrophobicContact CZ-CD1 4.22Å; F261-I286 HydrophobicContact CZ-CG1 4.29Å; F261-I297 HydrophobicContact CB-CD1 4.45Å; F261-I297 HydrophobicContact CB-CG2 3.67Å; F261-K299 PolarHBondContact N-O 3.36Å; F261-K300 HydrophobicContact CB-CG 4.47Å; F261-K300 HydrophobicContact CD1-CB 4.38Å; F261-K300 HydrophobicContact CD1-CG 4.45Å; F261-K300 CarbonylContact O-C 3.57Å; F261-L301 PolarHBondContact O-N 3.07Å |
| 262 | I | 95.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.5 | 178.7 | -52.2 | 164.8 | 0 | 0 | 0 | 108.1 | L231 Y242 H243 F245 V260 L301 I303 L309 | L231-I262 HydrophobicContact CD2-CD1 4.07Å; Y242-I262 CarbonylContact C-O 3.55Å; Y242-I262 WeakPolarHBondContact CA-O 3.24Å; H243-I262 HydrophobicContact CB-CB 4.11Å; H243-I262 PolarHBondContact CD2-O 2.83Å; H243-I262 PolarHBondContact N-O 3.14Å; H243-I262 PolarHBondContact O-N 2.94Å; F245-I262 HydrophobicContact CB-CD1 4.47Å; V260-I262 HydrophobicContact CG1-CG1 3.96Å; I262-L301 CarbonylContact C-O 3.55Å; I262-L301 WeakPolarHBondContact CA-O 3.4Å; I262-L301 HydrophobicContact CG1-CB 4.3Å; I262-L301 HydrophobicContact CG1-CD1 4.38Å; I262-I303 HydrophobicContact CG2-CD1 3.59Å; I262-I303 HydrophobicContact CG2-CG1 3.76Å; I262-I303 HydrophobicContact CG2-CG2 4.49Å; I262-L309 HydrophobicContact CD1-CD1 4.05Å; I262-L309 HydrophobicContact CD1-CD2 3.96Å |
| 263 | Y | 95.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 109.5 | 167 | 172.2 | -152.2 | 0 | 0 | 0 | 108.2 | P240 Y242 M265 Y278 S279 K282 L301 E302 I303 | P240-Y263 HydrophobicContact CB-CE2 4.35Å; Y242-Y263 AromaticContact CD1-CD2 3.97Å; Y242-Y263 HydrophobicContact CD1-CD2 3.97Å; Y242-Y263 HydrophobicContact CD1-CG 4.32Å; Y242-Y263 AromaticContact CE1-CD2 3.84Å; Y242-Y263 HydrophobicContact CE1-CD2 3.84Å; Y242-Y263 HydrophobicContact CE1-CE2 4.32Å; Y242-Y263 HydrophobicContact CE1-CG 4.15Å; Y263-M265 HydrophobicContact CE2-CB 4.02Å; Y263-M265 HydrophobicContact CE2-CG 4.3Å; Y263-M265 HydrophobicContact CE2-SD 3.71Å; Y263-M265 PolarHBondContact OH-SD 3.5Å; Y263-Y278 HydrophobicContact CE2-CD1 4.17Å; Y263-Y278 HydrophobicContact CE2-CG 4.3Å; Y263-Y278 WeakPolarHBondContact OH-CB 3.38Å; Y263-S279 PolarHBondContact OH-OG 3.2Å; Y263-K282 HydrophobicContact CD1-CD 4.11Å; Y263-L301 PolarHBondContact N-O 2.93Å; Y263-E302 HydrophobicContact CD1-CG 4.08Å; Y263-E302 WeakPolarHBondContact O-CA 3.44Å; Y263-I303 PolarHBondContact O-N 2.99Å |
| 264 | S | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.2 | 176 | 63 | 0 | 0 | 0 | 0 | 111 | P240 R241 H243 I303 | P240-S264 WeakPolarHBondContact CA-O 3.5Å; P240-S264 WeakPolarHBondContact CB-O 3.24Å; R241-S264 PolarHBondContact N-O 3Å; R241-S264 VanDerWaalsContact N-O 3.1Å; R241-S264 PolarHBondContact N-OG 2.92Å; R241-S264 PolarHBondContact O-N 3.33Å; R241-S264 PolarHBondContact O-OG 3.04Å; H243-S264 WeakPolarHBondContact NE2-CB 3.47Å; H243-S264 PolarHBondContact NE2-OG 3.21Å; S264-I303 WeakPolarHBondContact CA-O 3.39Å |
| 265 | M | 92.4 | Very high | 91 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 15% | 0.148 | 26% | 0.255 | C | S | . | . | trans | -143.9 | 91.5 | -170.8 | -167 | 62.3 | -177.8 | 0 | 0 | 111.8 | P240 Y263 G267 C270 R275 I303 E304 | P240-M265 HydrophobicContact CB-CE 4.37Å; P240-M265 HydrophobicContact CB-SD 3.29Å; P240-M265 WeakPolarHBondContact CB-SD 3.35Å; P240-M265 HydrophobicContact CG-SD 4.09Å; Y263-M265 HydrophobicContact CE2-CB 4.02Å; Y263-M265 HydrophobicContact CE2-CG 4.3Å; Y263-M265 HydrophobicContact CE2-SD 3.71Å; Y263-M265 PolarHBondContact OH-SD 3.5Å; M265-G267 PolarHBondContact O-N 2.85Å; M265-C270 HydrophobicContact CE-CB 4.48Å; M265-R275 HydrophobicContact CE-CB 3.23Å; M265-R275 HydrophobicContact CE-CG 3.02Å; M265-I303 PolarHBondContact N-O 3.25Å; M265-E304 WeakPolarHBondContact O-CA 3.43Å | ||
| 266 | P | 89.6 | Confident | 90.9 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | trans | -75.3 | 33.8 | -174.1 | 29.8 | -32.9 | 0 | 0 | 0 | 114.4 | K237 Y268 | K237-P266 VanDerWaalsContact O-CB 3.26Å; K237-P266 WeakPolarHBondContact O-CB 3.4Å; P266-Y268 PolarHBondContact O-N 2.88Å | ||
| 267 | G | 86.4 | Confident | 91 | Very high | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | 63.3 | -124.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115 | M265 K269 C270 R275 | M265-G267 PolarHBondContact O-N 2.85Å; G267-K269 PolarHBondContact O-N 2.84Å; G267-C270 PolarHBondContact O-N 2.79Å; G267-R275 WeakPolarHBondContact O-CD 3.46Å; G267-R275 PolarHBondContact O-NH1 2.91Å; G267-R275 VanDerWaalsContact O-NH1 3.12Å |
| 268 | Y | 81.6 | Confident | 91.1 | Very high | 214 Ų | 214 | 49.2 Ų | 49.2 | 84% | 0.839 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -74.4 | -8.5 | -170.8 | -70.6 | -78.3 | 0 | 0 | 0 | 115 | P266 C270 | P266-Y268 PolarHBondContact O-N 2.88Å; Y268-C270 PolarHBondContact O-N 3.48Å |
| 269 | K | 84.3 | Confident | 91.1 | Very high | 128 Ų | 128 | 51.7 Ų | 51.7 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.5 | -24.8 | 174.3 | -70.2 | 178 | 167.1 | -162.7 | 0 | 113 | K237 D238 G267 | K237-K269 WeakPolarHBondContact O-CD 3.33Å; K237-K269 PolarHBondContact O-NZ 3.29Å; D238-K269 IonicContact OD1-NZ 3.98Å; D238-K269 PolarHBondContact OD1-NZ 2.84Å; G267-K269 PolarHBondContact O-N 2.84Å |
| 270 | C | 88.4 | Confident | 91 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -89.4 | 152.7 | 177.4 | -49.5 | 0 | 0 | 0 | 0 | 111 | P240 M265 G267 Y268 E274 R275 | P240-C270 VanDerWaalsContact CD-SG 3.54Å; M265-C270 HydrophobicContact CE-CB 4.48Å; G267-C270 PolarHBondContact O-N 2.79Å; Y268-C270 PolarHBondContact O-N 3.48Å; C270-E274 HydrophobicContact CB-CB 4.5Å; C270-R275 HydrophobicContact CB-CG 4.09Å; C270-R275 PolarHBondContact O-NH1 3.45Å |
| 271 | S | 91.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | trans | -69.9 | 153.3 | 174.5 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | R273 E274 R275 | S271-R273 PolarHBondContact O-N 2.81Å; S271-E274 PolarHBondContact N-OE2 2.68Å; S271-E274 PolarHBondContact O-N 3.05Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 VanDerWaalsContact OG-CG 3.31Å; S271-E274 WeakPolarHBondContact OG-CG 3.5Å; S271-E274 PolarHBondContact OG-N 3.27Å; S271-E274 PolarHBondContact OG-OE2 3.12Å; S271-R275 WeakPolarHBondContact O-CG 3.29Å; S271-R275 PolarHBondContact O-N 3.35Å | ||
| 272 | I | 91.2 | Very high | 90.7 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.5 | -39 | 175.5 | -63.5 | 167.2 | 0 | 0 | 0 | 110.7 | R275 M276 | I272-R275 PolarHBondContact O-N 2.97Å; I272-M276 HydrophobicContact CG2-CG 4.16Å; I272-M276 WeakPolarHBondContact O-CB 3.35Å; I272-M276 VanDerWaalsContact O-CG 3.31Å; I272-M276 WeakPolarHBondContact O-CG 3.49Å; I272-M276 PolarHBondContact O-N 3.41Å |
| 273 | R | 90.8 | Very high | 90.4 | Very high | 150 Ų | 150 | 57.9 Ų | 57.9 | 57% | 0.566 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.8 | -50.4 | 178.1 | -177.1 | 177.3 | 178.9 | -178.7 | -3.1 | 111.4 | V213 S271 R275 M276 L277 | V213-R273 HydrophobicContact CG1-CG 4.3Å; V213-R273 PolarHBondContact O-NH2 2.84Å; S271-R273 PolarHBondContact O-N 2.81Å; R273-R275 VanDerWaalsContact C-N 3.35Å; R273-R275 PolarHBondContact O-N 2.73Å; R273-M276 PolarHBondContact O-N 3.03Å; R273-L277 HydrophobicContact CG-CD1 4.06Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 VanDerWaalsContact O-CG 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.34Å; R273-L277 PolarHBondContact O-N 3.4Å |
| 274 | E | 90.7 | Very high | 90.1 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.6 | -74.4 | 164.2 | 149 | 0 | 0 | 111.2 | V213 C270 S271 M276 L277 Y278 | V213-E274 HydrophobicContact CG2-CG 3.88Å; C270-E274 HydrophobicContact CB-CB 4.5Å; S271-E274 PolarHBondContact N-OE2 2.68Å; S271-E274 PolarHBondContact O-N 3.05Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 VanDerWaalsContact OG-CG 3.31Å; S271-E274 WeakPolarHBondContact OG-CG 3.5Å; S271-E274 PolarHBondContact OG-N 3.27Å; S271-E274 PolarHBondContact OG-OE2 3.12Å; E274-M276 PolarHBondContact O-N 3.29Å; E274-L277 PolarHBondContact O-N 3.09Å; E274-Y278 VanDerWaalsContact O-CD2 3.29Å; E274-Y278 WeakPolarHBondContact O-CD2 3.41Å; E274-Y278 PolarHBondContact O-N 3.14Å |
| 275 | R | 91.5 | Very high | 89.9 | Confident | 61 Ų | 61 | 60 Ų | 60 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -50.4 | 179.1 | -54.5 | -143.1 | -85.9 | -75.6 | -16.5 | 112.5 | M265 G267 C270 S271 I272 R273 L277 Y278 S279 | M265-R275 HydrophobicContact CE-CB 3.23Å; M265-R275 HydrophobicContact CE-CG 3.02Å; G267-R275 WeakPolarHBondContact O-CD 3.46Å; G267-R275 PolarHBondContact O-NH1 2.91Å; G267-R275 VanDerWaalsContact O-NH1 3.12Å; C270-R275 HydrophobicContact CB-CG 4.09Å; C270-R275 PolarHBondContact O-NH1 3.45Å; S271-R275 WeakPolarHBondContact O-CG 3.29Å; S271-R275 PolarHBondContact O-N 3.35Å; I272-R275 PolarHBondContact O-N 2.97Å; R273-R275 VanDerWaalsContact C-N 3.35Å; R273-R275 PolarHBondContact O-N 2.73Å; R275-L277 VanDerWaalsContact C-N 3.33Å; R275-L277 PolarHBondContact O-N 2.87Å; R275-Y278 PolarHBondContact O-N 3.27Å; R275-S279 PolarHBondContact O-N 3.14Å; R275-S279 PolarHBondContact O-OG 3.07Å |
| 276 | M | 90.6 | Very high | 89.9 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 180 | -70.5 | -63.2 | -68.9 | 0 | 0 | 112.1 | I272 R273 E274 S280 | I272-M276 HydrophobicContact CG2-CG 4.16Å; I272-M276 WeakPolarHBondContact O-CB 3.35Å; I272-M276 VanDerWaalsContact O-CG 3.31Å; I272-M276 WeakPolarHBondContact O-CG 3.49Å; I272-M276 PolarHBondContact O-N 3.41Å; R273-M276 PolarHBondContact O-N 3.03Å; E274-M276 PolarHBondContact O-N 3.29Å; M276-S280 WeakPolarHBondContact O-CB 3.22Å; M276-S280 PolarHBondContact O-N 3.32Å; M276-S280 PolarHBondContact O-OG 3.35Å |
| 277 | L | 91.7 | Very high | 89.8 | Confident | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 179.1 | -75.5 | 175.6 | 0 | 0 | 0 | 111.9 | F186 V213 R273 E274 R275 S280 C281 | F186-L277 HydrophobicContact CE2-CD2 4.01Å; F186-L277 HydrophobicContact CZ-CD2 3.62Å; V213-L277 HydrophobicContact CB-CD1 4.4Å; V213-L277 HydrophobicContact CG1-CD1 3.8Å; V213-L277 HydrophobicContact CG2-CD1 4.19Å; R273-L277 HydrophobicContact CG-CD1 4.06Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 VanDerWaalsContact O-CG 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.34Å; R273-L277 PolarHBondContact O-N 3.4Å; E274-L277 PolarHBondContact O-N 3.09Å; R275-L277 VanDerWaalsContact C-N 3.33Å; R275-L277 PolarHBondContact O-N 2.87Å; L277-S280 PolarHBondContact O-N 3.12Å; L277-C281 VanDerWaalsContact O-CB 3.27Å; L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.3Å; L277-C281 PolarHBondContact O-SG 3.44Å |
| 278 | Y | 92.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -48.7 | 176.6 | -80.7 | -103.8 | 0 | 0 | 0 | 110.9 | E210 I211 P240 Y242 Y263 E274 R275 S280 C281 K282 | E210-Y278 WeakPolarHBondContact CA-OH 3.34Å; I211-Y278 HydrophobicContact CB-CD2 4.26Å; I211-Y278 HydrophobicContact CB-CE1 4.34Å; I211-Y278 HydrophobicContact CB-CE2 3.64Å; I211-Y278 HydrophobicContact CD1-CD1 3.91Å; I211-Y278 HydrophobicContact CD1-CD2 3.75Å; I211-Y278 HydrophobicContact CD1-CE1 4.13Å; I211-Y278 HydrophobicContact CD1-CE2 4Å; I211-Y278 HydrophobicContact CD1-CG 3.74Å; I211-Y278 HydrophobicContact CG1-CD1 4.17Å; I211-Y278 HydrophobicContact CG1-CD2 4.2Å; I211-Y278 HydrophobicContact CG1-CE1 3.86Å; I211-Y278 HydrophobicContact CG1-CE2 3.91Å; I211-Y278 HydrophobicContact CG1-CG 4.35Å; I211-Y278 PolarHBondContact N-OH 3.4Å; P240-Y278 HydrophobicContact CB-CD1 4.19Å; P240-Y278 HydrophobicContact CB-CD2 4.34Å; P240-Y278 HydrophobicContact CB-CE1 4.34Å; P240-Y278 HydrophobicContact CB-CE2 4.47Å; P240-Y278 HydrophobicContact CB-CG 4.18Å; P240-Y278 HydrophobicContact CG-CD1 4.25Å; P240-Y278 HydrophobicContact CG-CD2 3.6Å; P240-Y278 HydrophobicContact CG-CE1 4.21Å; P240-Y278 HydrophobicContact CG-CE2 3.54Å; P240-Y278 HydrophobicContact CG-CG 3.95Å; P240-Y278 VanDerWaalsContact O-CE1 3.27Å; P240-Y278 WeakPolarHBondContact O-CE1 3.22Å; P240-Y278 PolarHBondContact O-OH 3.39Å; Y242-Y278 HydrophobicContact CD1-CD1 4.36Å; Y242-Y278 HydrophobicContact CD2-CD1 4.36Å; Y242-Y278 HydrophobicContact CD2-CE1 4.41Å; Y242-Y278 AromaticContact CE1-CD1 3.9Å; Y242-Y278 HydrophobicContact CE1-CD1 3.9Å; Y242-Y278 AromaticContact CE2-CD1 3.89Å; Y242-Y278 HydrophobicContact CE2-CD1 3.89Å; Y242-Y278 HydrophobicContact CE2-CE1 4.24Å; Y242-Y278 AromaticContact CZ-CD1 3.66Å; Y242-Y278 WeakPolarHBondContact OH-CA 3.48Å; Y242-Y278 PolarHBondContact OH-O 3.37Å; Y263-Y278 HydrophobicContact CE2-CD1 4.17Å; Y263-Y278 HydrophobicContact CE2-CG 4.3Å; Y263-Y278 WeakPolarHBondContact OH-CB 3.38Å; E274-Y278 VanDerWaalsContact O-CD2 3.29Å; E274-Y278 WeakPolarHBondContact O-CD2 3.41Å; E274-Y278 PolarHBondContact O-N 3.14Å; R275-Y278 PolarHBondContact O-N 3.27Å; Y278-S280 VanDerWaalsContact C-N 3.28Å; Y278-S280 PolarHBondContact O-N 3.49Å; Y278-C281 PolarHBondContact O-N 2.91Å; Y278-K282 PolarHBondContact O-N 2.99Å; Y278-K282 VanDerWaalsContact O-N 3.15Å |
| 279 | S | 91.5 | Very high | 90.3 | Very high | 63 Ų | 63 | 53 Ų | 53 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | Y263 R275 | Y263-S279 PolarHBondContact OH-OG 3.2Å; R275-S279 PolarHBondContact O-N 3.14Å; R275-S279 PolarHBondContact O-OG 3.07Å |
| 280 | S | 90.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 50 Ų | 50 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -77.6 | -29.8 | -178.3 | -56.6 | 0 | 0 | 0 | 0 | 114 | G183 V184 M276 L277 Y278 | G183-S280 WeakPolarHBondContact CA-O 3.38Å; V184-S280 PolarHBondContact N-O 2.77Å; V184-S280 VanDerWaalsContact N-O 3.11Å; M276-S280 WeakPolarHBondContact O-CB 3.22Å; M276-S280 PolarHBondContact O-N 3.32Å; M276-S280 PolarHBondContact O-OG 3.35Å; L277-S280 PolarHBondContact O-N 3.12Å; Y278-S280 VanDerWaalsContact C-N 3.28Å; Y278-S280 PolarHBondContact O-N 3.49Å |
| 281 | C | 91.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.3 | -19.9 | -179.1 | -65.7 | 0 | 0 | 0 | 0 | 113 | V184 I211 L277 Y278 N283 N284 L285 | V184-C281 WeakPolarHBondContact O-CA 3.37Å; I211-C281 HydrophobicContact CD1-CB 3.96Å; L277-C281 VanDerWaalsContact O-CB 3.27Å; L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.3Å; L277-C281 PolarHBondContact O-SG 3.44Å; Y278-C281 PolarHBondContact O-N 2.91Å; C281-N283 PolarHBondContact O-N 3.07Å; C281-N284 PolarHBondContact O-N 2.72Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.43Å |
| 282 | K | 91.8 | Very high | 90.2 | Very high | 38 Ų | 38 | 60 Ų | 60 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.8 | -54.7 | -175.6 | -172.9 | -165.8 | 68.5 | 166.1 | 0 | 112.9 | Y242 F261 Y263 Y278 N284 L285 I286 E302 | Y242-K282 HydrophobicContact CE1-CB 4.3Å; Y242-K282 HydrophobicContact CE1-CG 4.4Å; Y242-K282 PolarHBondContact OH-N 3.42Å; F261-K282 HydrophobicContact CE1-CD 4.09Å; F261-K282 HydrophobicContact CE1-CG 3.76Å; F261-K282 HydrophobicContact CZ-CG 3.94Å; Y263-K282 HydrophobicContact CD1-CD 4.11Å; Y278-K282 PolarHBondContact O-N 2.99Å; Y278-K282 VanDerWaalsContact O-N 3.15Å; K282-N284 PolarHBondContact O-N 3.28Å; K282-L285 PolarHBondContact O-N 3.2Å; K282-I286 HydrophobicContact CD-CD1 4.39Å; K282-I286 HydrophobicContact CG-CD1 3.85Å; K282-I286 VanDerWaalsContact O-CG1 3.29Å; K282-I286 WeakPolarHBondContact O-CG1 3.45Å; K282-I286 PolarHBondContact O-N 3.44Å; K282-E302 IonicContact NZ-OE1 2.78Å; K282-E302 PolarHBondContact NZ-OE1 3Å |
| 283 | N | 89.9 | Confident | 89.8 | Confident | 75 Ų | 75 | 56 Ų | 56 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | -175 | -68.7 | -10 | 0 | 0 | 0 | 111.4 | C281 L285 I286 D287 | C281-N283 PolarHBondContact O-N 3.07Å; N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3Å; N283-I286 PolarHBondContact O-N 3.35Å; N283-D287 WeakPolarHBondContact O-CB 3.48Å; N283-D287 PolarHBondContact O-N 2.9Å |
| 284 | N | 89.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 178 | -73.2 | -23.4 | 0 | 0 | 0 | 113.1 | G183 V184 A185 C281 K282 M288 | G183-N284 PolarHBondContact O-ND2 3.05Å; V184-N284 PolarHBondContact N-ND2 3.46Å; V184-N284 PolarHBondContact O-ND2 3.18Å; A185-N284 WeakPolarHBondContact CA-ND2 3.38Å; A185-N284 HydrophobicContact CB-CB 4.48Å; A185-N284 PolarHBondContact N-ND2 2.91Å; C281-N284 PolarHBondContact O-N 2.72Å; K282-N284 PolarHBondContact O-N 3.28Å; N284-M288 WeakPolarHBondContact O-CB 3.45Å; N284-M288 PolarHBondContact O-N 3.15Å |
| 285 | L | 90.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 174.2 | 173.3 | 63 | 0 | 0 | 0 | 110.5 | I188 L209 I218 Y242 F261 C281 K282 N283 M288 V289 | I188-L285 HydrophobicContact CD1-CD1 3.4Å; I188-L285 HydrophobicContact CG1-CD1 4.4Å; L209-L285 HydrophobicContact CD1-CD1 4.4Å; L209-L285 HydrophobicContact CD1-CD2 4.21Å; I218-L285 HydrophobicContact CD1-CB 4.29Å; I218-L285 HydrophobicContact CD1-CD1 3.98Å; I218-L285 HydrophobicContact CD1-CD2 4.34Å; I218-L285 HydrophobicContact CD1-CG 4.43Å; Y242-L285 HydrophobicContact CD2-CD2 3.48Å; Y242-L285 VanDerWaalsContact CD2-CD2 3.48Å; Y242-L285 HydrophobicContact CE2-CD2 3.73Å; Y242-L285 HydrophobicContact CG-CD2 3.98Å; F261-L285 HydrophobicContact CE2-CD2 4.28Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.43Å; K282-L285 PolarHBondContact O-N 3.2Å; N283-L285 VanDerWaalsContact C-N 3.33Å; N283-L285 PolarHBondContact O-N 3Å; L285-M288 HydrophobicContact CD1-CE 4.41Å; L285-M288 WeakPolarHBondContact O-CB 3.31Å; L285-M288 PolarHBondContact O-N 3.28Å; L285-V289 HydrophobicContact CD1-CG2 4.34Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.42Å |
| 286 | I | 91.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 178 | -71.9 | 171.7 | 0 | 0 | 0 | 110.7 | F261 K282 N283 M288 V289 E290 I297 K300 | F261-I286 HydrophobicContact CD1-CD1 3.85Å; F261-I286 HydrophobicContact CD1-CG1 4.35Å; F261-I286 HydrophobicContact CE1-CD1 3.76Å; F261-I286 HydrophobicContact CE1-CG1 4.28Å; F261-I286 HydrophobicContact CE2-CG1 4.43Å; F261-I286 HydrophobicContact CG-CD1 4.41Å; F261-I286 HydrophobicContact CG-CG1 4.47Å; F261-I286 HydrophobicContact CZ-CD1 4.22Å; F261-I286 HydrophobicContact CZ-CG1 4.29Å; K282-I286 HydrophobicContact CD-CD1 4.39Å; K282-I286 HydrophobicContact CG-CD1 3.85Å; K282-I286 VanDerWaalsContact O-CG1 3.29Å; K282-I286 WeakPolarHBondContact O-CG1 3.45Å; K282-I286 PolarHBondContact O-N 3.44Å; N283-I286 PolarHBondContact O-N 3.35Å; I286-M288 VanDerWaalsContact C-N 3.25Å; I286-M288 PolarHBondContact O-N 2.79Å; I286-V289 PolarHBondContact O-N 2.81Å; I286-E290 HydrophobicContact CG2-CG 4.45Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.23Å; I286-E290 PolarHBondContact O-N 2.8Å; I286-I297 HydrophobicContact CG2-CD1 4.22Å; I286-K300 HydrophobicContact CD1-CD 3.92Å; I286-K300 HydrophobicContact CD1-CG 4.12Å; I286-K300 HydrophobicContact CG2-CD 4.2Å |
| 287 | D | 89.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 179.2 | -67.3 | -11.9 | 0 | 0 | 0 | 111.2 | N283 T291 | N283-D287 WeakPolarHBondContact O-CB 3.48Å; N283-D287 PolarHBondContact O-N 2.9Å; D287-T291 WeakPolarHBondContact O-CB 3.39Å; D287-T291 PolarHBondContact O-N 2.85Å; D287-T291 PolarHBondContact O-OG1 2.92Å |
| 288 | M | 87.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 175.1 | -169.5 | -70.9 | -44.4 | 0 | 0 | 111.4 | I188 N284 L285 I286 K292 L293 | I188-M288 HydrophobicContact CD1-CE 3.18Å; I188-M288 HydrophobicContact CD1-SD 4.28Å; I188-M288 HydrophobicContact CG1-CE 4.49Å; N284-M288 WeakPolarHBondContact O-CB 3.45Å; N284-M288 PolarHBondContact O-N 3.15Å; L285-M288 HydrophobicContact CD1-CE 4.41Å; L285-M288 WeakPolarHBondContact O-CB 3.31Å; L285-M288 PolarHBondContact O-N 3.28Å; I286-M288 VanDerWaalsContact C-N 3.25Å; I286-M288 PolarHBondContact O-N 2.79Å; M288-K292 HydrophobicContact CG-CD 3.86Å; M288-K292 HydrophobicContact CG-CG 4.26Å; M288-K292 WeakPolarHBondContact O-CA 3.3Å; M288-K292 VanDerWaalsContact O-CB 3.26Å; M288-K292 WeakPolarHBondContact O-CB 3.26Å; M288-K292 PolarHBondContact O-N 3.05Å; M288-K292 HydrophobicContact SD-CB 4.06Å; M288-K292 HydrophobicContact SD-CD 3.93Å; M288-K292 HydrophobicContact SD-CG 4.3Å; M288-L293 HydrophobicContact CE-CD1 3.92Å; M288-L293 PolarHBondContact O-N 3.47Å; M288-L293 HydrophobicContact SD-CD1 4.39Å |
| 289 | V | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L196 F244 L285 I286 L293 Q294 M295 I297 | L196-V289 HydrophobicContact CD1-CG2 4.12Å; F244-V289 HydrophobicContact CE1-CG1 4.11Å; F244-V289 HydrophobicContact CE1-CG2 4.34Å; F244-V289 HydrophobicContact CZ-CG2 3.95Å; L285-V289 HydrophobicContact CD1-CG2 4.34Å; L285-V289 WeakPolarHBondContact O-CG2 3.44Å; L285-V289 PolarHBondContact O-N 3.42Å; I286-V289 PolarHBondContact O-N 2.81Å; V289-L293 HydrophobicContact CG2-CD1 4.2Å; V289-L293 CarbonylContact O-C 3.59Å; V289-L293 WeakPolarHBondContact O-CA 3.34Å; V289-L293 VanDerWaalsContact O-CB 3.29Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.97Å; V289-Q294 PolarHBondContact O-N 2.89Å; V289-Q294 VanDerWaalsContact O-N 3.14Å; V289-M295 HydrophobicContact CG1-CB 3.73Å; V289-M295 HydrophobicContact CG1-CE 4.37Å; V289-M295 HydrophobicContact CG1-CG 4.17Å; V289-M295 HydrophobicContact CG1-SD 3.74Å; V289-M295 PolarHBondContact O-N 3.35Å; V289-I297 HydrophobicContact CG1-CD1 4.15Å |
| 290 | E | 88.9 | Confident | 89.3 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.5 | -71.1 | 175.4 | -175.8 | 0 | 0 | 111.3 | I286 Q294 I297 K300 | I286-E290 HydrophobicContact CG2-CG 4.45Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.23Å; I286-E290 PolarHBondContact O-N 2.8Å; E290-Q294 VanDerWaalsContact O-CA 3.25Å; E290-Q294 WeakPolarHBondContact O-CA 3.4Å; E290-Q294 PolarHBondContact O-N 2.86Å; E290-I297 HydrophobicContact CG-CD1 4.22Å; E290-I297 HydrophobicContact CG-CG1 4.47Å; E290-K300 WeakPolarHBondContact OE1-CE 3.43Å; E290-K300 IonicContact OE1-NZ 2.77Å; E290-K300 PolarHBondContact OE1-NZ 2.84Å; E290-K300 IonicContact OE2-NZ 2.87Å |
| 291 | T | 88.4 | Confident | 89.5 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -82.3 | -50 | -174.8 | -52 | 0 | 0 | 0 | 0 | 113.2 | D287 | D287-T291 WeakPolarHBondContact O-CB 3.39Å; D287-T291 PolarHBondContact O-N 2.85Å; D287-T291 PolarHBondContact O-OG1 2.92Å |
| 292 | K | 85.3 | Confident | 89.6 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 72% | 0.717 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -44.7 | -174 | -60.3 | -168.4 | -175.3 | 174.9 | 0 | 112.2 | M288 | M288-K292 HydrophobicContact CG-CD 3.86Å; M288-K292 HydrophobicContact CG-CG 4.26Å; M288-K292 WeakPolarHBondContact O-CA 3.3Å; M288-K292 VanDerWaalsContact O-CB 3.26Å; M288-K292 WeakPolarHBondContact O-CB 3.26Å; M288-K292 PolarHBondContact O-N 3.05Å; M288-K292 HydrophobicContact SD-CB 4.06Å; M288-K292 HydrophobicContact SD-CD 3.93Å; M288-K292 HydrophobicContact SD-CG 4.3Å |
| 293 | L | 82.1 | Confident | 89.7 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -85.8 | -12.9 | -179.5 | -71.3 | 159.6 | 0 | 0 | 0 | 111.8 | L196 K200 M288 V289 M295 | L196-L293 HydrophobicContact CB-CD1 3.9Å; L196-L293 HydrophobicContact CD1-CD1 4.13Å; K200-L293 VanDerWaalsContact CD-O 3.23Å; K200-L293 WeakPolarHBondContact CD-O 3.24Å; K200-L293 WeakPolarHBondContact CE-O 3.09Å; K200-L293 PolarHBondContact NZ-O 3.4Å; M288-L293 HydrophobicContact CE-CD1 3.92Å; M288-L293 PolarHBondContact O-N 3.47Å; M288-L293 HydrophobicContact SD-CD1 4.39Å; V289-L293 HydrophobicContact CG2-CD1 4.2Å; V289-L293 CarbonylContact O-C 3.59Å; V289-L293 WeakPolarHBondContact O-CA 3.34Å; V289-L293 VanDerWaalsContact O-CB 3.29Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 2.97Å; L293-M295 PolarHBondContact O-N 2.63Å |
| 294 | Q | 86.1 | Confident | 89.7 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | trans | 50.2 | 45.8 | -177.6 | -63 | 178.8 | -17.9 | 0 | 0 | 111.4 | K200 V289 E290 | K200-Q294 WeakPolarHBondContact CE-O 3.48Å; V289-Q294 PolarHBondContact O-N 2.89Å; V289-Q294 VanDerWaalsContact O-N 3.14Å; E290-Q294 VanDerWaalsContact O-CA 3.25Å; E290-Q294 WeakPolarHBondContact O-CA 3.4Å; E290-Q294 PolarHBondContact O-N 2.86Å | ||
| 295 | M | 86.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | trans | -102.4 | 122 | 174.6 | 179.4 | -171.7 | -58.7 | 0 | 0 | 108.1 | L196 F199 K200 F244 T259 V289 L293 | L196-M295 WeakPolarHBondContact O-CE 3.29Å; F199-M295 HydrophobicContact CD1-CE 3.68Å; F199-M295 HydrophobicContact CD1-SD 3.74Å; F199-M295 HydrophobicContact CE1-CE 4.46Å; F199-M295 HydrophobicContact CE1-SD 3.94Å; K200-M295 HydrophobicContact CB-CE 3.76Å; F244-M295 HydrophobicContact CD1-SD 4.29Å; T259-M295 HydrophobicContact CG2-SD 4.18Å; V289-M295 HydrophobicContact CG1-CB 3.73Å; V289-M295 HydrophobicContact CG1-CE 4.37Å; V289-M295 HydrophobicContact CG1-CG 4.17Å; V289-M295 HydrophobicContact CG1-SD 3.74Å; V289-M295 PolarHBondContact O-N 3.35Å; L293-M295 PolarHBondContact O-N 2.63Å | ||
| 296 | E | 86.8 | Confident | 89.6 | Confident | 159 Ų | 159 | 65.6 Ų | 65.6 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | trans | -79.5 | 123.1 | 176.9 | -170 | 169.3 | -159.8 | 0 | 0 | 109.7 | T259 | T259-E296 WeakPolarHBondContact CB-O 3.34Š| ||
| 297 | I | 91.6 | Very high | 89.5 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | trans | -103.4 | 107.1 | 176.7 | -60 | 170.9 | 0 | 0 | 0 | 107.1 | F244 T259 F261 I286 V289 E290 K299 K300 | F244-I297 HydrophobicContact CE1-CD1 3.92Å; F244-I297 HydrophobicContact CE1-CG1 4.49Å; T259-I297 HydrophobicContact CG2-CG1 4.4Å; F261-I297 HydrophobicContact CB-CD1 4.45Å; F261-I297 HydrophobicContact CB-CG2 3.67Å; I286-I297 HydrophobicContact CG2-CD1 4.22Å; V289-I297 HydrophobicContact CG1-CD1 4.15Å; E290-I297 HydrophobicContact CG-CD1 4.22Å; E290-I297 HydrophobicContact CG-CG1 4.47Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 WeakPolarHBondContact CG2-O 3.46Å; I297-K299 PolarHBondContact O-N 3.09Å; I297-K300 HydrophobicContact CG2-CG 3.94Å | ||
| 298 | E | 90.9 | Very high | 89.4 | Confident | 102 Ų | 102 | 69.5 Ų | 69.5 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -63.8 | -41.8 | -177.4 | -166.8 | 70.1 | -160.6 | 0 | 0 | 111.2 | T259 V318 | T259-E298 WeakPolarHBondContact O-CB 3.39Å; T259-E298 PolarHBondContact O-N 2.94Å; E298-V318 HydrophobicContact CG-CG1 4.07Å |
| 299 | K | 92.9 | Very high | 89.5 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 138.4 | -176 | -165.7 | 71.1 | -175.3 | -139 | 0 | 111.9 | V260 F261 I297 L301 E317 V318 | V260-K299 HydrophobicContact CG1-CB 4.41Å; F261-K299 PolarHBondContact N-O 3.36Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 WeakPolarHBondContact CG2-O 3.46Å; I297-K299 PolarHBondContact O-N 3.09Å; K299-L301 HydrophobicContact CG-CD2 3.66Å; K299-L301 HydrophobicContact CG-CG 4.09Å; K299-E317 WeakPolarHBondContact CD-O 3.4Å; K299-E317 WeakPolarHBondContact CE-O 3.41Å; K299-E317 WeakPolarHBondContact CE-OE2 3.46Å; K299-E317 PolarHBondContact NZ-O 3.1Å; K299-E317 IonicContact NZ-OE2 3.96Å; K299-E317 PolarHBondContact NZ-OE2 2.66Å; K299-V318 HydrophobicContact CB-CG2 4.25Å |
| 300 | K | 94.6 | Very high | 89.5 | Confident | 94 Ų | 94 | 71 Ų | 71 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.2 | 175.8 | -62.8 | 161.6 | -173.9 | 178.5 | 0 | 107.3 | F261 I286 E290 I297 | F261-K300 HydrophobicContact CB-CG 4.47Å; F261-K300 HydrophobicContact CD1-CB 4.38Å; F261-K300 HydrophobicContact CD1-CG 4.45Å; F261-K300 CarbonylContact O-C 3.57Å; I286-K300 HydrophobicContact CD1-CD 3.92Å; I286-K300 HydrophobicContact CD1-CG 4.12Å; I286-K300 HydrophobicContact CG2-CD 4.2Å; E290-K300 WeakPolarHBondContact OE1-CE 3.43Å; E290-K300 IonicContact OE1-NZ 2.77Å; E290-K300 PolarHBondContact OE1-NZ 2.84Å; E290-K300 IonicContact OE2-NZ 2.87Å; I297-K300 HydrophobicContact CG2-CG 3.94Å |
| 301 | L | 94.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.6 | -177.1 | -61 | -178.6 | 0 | 0 | 0 | 110.7 | V260 F261 I262 Y263 K299 F313 M314 E317 | V260-L301 HydrophobicContact CG1-CD1 3.58Å; V260-L301 HydrophobicContact CG1-CG 3.88Å; F261-L301 PolarHBondContact O-N 3.07Å; I262-L301 CarbonylContact C-O 3.55Å; I262-L301 WeakPolarHBondContact CA-O 3.4Å; I262-L301 HydrophobicContact CG1-CB 4.3Å; I262-L301 HydrophobicContact CG1-CD1 4.38Å; Y263-L301 PolarHBondContact N-O 2.93Å; K299-L301 HydrophobicContact CG-CD2 3.66Å; K299-L301 HydrophobicContact CG-CG 4.09Å; L301-F313 HydrophobicContact CD1-CE1 4.33Å; L301-M314 HydrophobicContact CD1-CE 4.49Å; L301-M314 HydrophobicContact CD1-SD 3.69Å; L301-E317 HydrophobicContact CD2-CB 3.77Å; L301-E317 HydrophobicContact CD2-CG 3.74Å |
| 302 | E | 94.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 72.2 Ų | 72.2 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.2 | 170 | -58.4 | -170.3 | 167.9 | 0 | 0 | 107.6 | Y263 K282 | Y263-E302 HydrophobicContact CD1-CG 4.08Å; Y263-E302 WeakPolarHBondContact O-CA 3.44Å; K282-E302 IonicContact NZ-OE1 2.78Å; K282-E302 PolarHBondContact NZ-OE1 3Å |
| 303 | I | 93.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.3 | -177.4 | 63.7 | 173.6 | 0 | 0 | 0 | 110.3 | V235 I262 Y263 S264 M265 L309 F313 | V235-I303 HydrophobicContact CG1-CD1 4.45Å; V235-I303 HydrophobicContact CG2-CD1 4.18Å; I262-I303 HydrophobicContact CG2-CD1 3.59Å; I262-I303 HydrophobicContact CG2-CG1 3.76Å; I262-I303 HydrophobicContact CG2-CG2 4.49Å; Y263-I303 PolarHBondContact O-N 2.99Å; S264-I303 WeakPolarHBondContact CA-O 3.39Å; M265-I303 PolarHBondContact N-O 3.25Å; I303-L309 HydrophobicContact CD1-CD1 3.5Å; I303-L309 HydrophobicContact CD1-CD2 3.91Å; I303-L309 HydrophobicContact CD1-CG 3.58Å; I303-L309 HydrophobicContact CG2-CD2 4.17Å; I303-F313 HydrophobicContact CG2-CE1 4.25Å |
| 304 | E | 89.5 | Confident | 90 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -90.6 | -47.3 | 173 | -176.8 | 171.6 | -175 | 0 | 0 | 111.1 | M265 E308 | M265-E304 WeakPolarHBondContact O-CA 3.43Å; E304-E308 PolarHBondContact N-OE1 3.1Å |
| 305 | D | 88.9 | Confident | 90.3 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | trans | -123 | 148 | -179.1 | -170.2 | 30.2 | 0 | 0 | 0 | 112.8 | T307 E308 | D305-T307 PolarHBondContact O-N 2.63Å; D305-T307 VanDerWaalsContact O-N 3.16Å; D305-T307 WeakPolarHBondContact OD2-CB 3.11Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.3Å; D305-T307 PolarHBondContact OD2-OG1 3.42Å; D305-E308 PolarHBondContact N-OE1 3.25Å; D305-E308 VanDerWaalsContact N-OE1 3.14Å; D305-E308 WeakPolarHBondContact O-CB 3.38Å; D305-E308 PolarHBondContact O-N 3.11Å | ||
| 306 | G | 88.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -64.2 | -20.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P232 E308 L309 | P232-G306 WeakPolarHBondContact CA-O 3.16Å; P232-G306 WeakPolarHBondContact CB-O 3.26Å; G306-E308 PolarHBondContact O-N 2.75Å; G306-L309 WeakPolarHBondContact O-CB 3.5Å; G306-L309 PolarHBondContact O-N 3.04Å |
| 307 | T | 90.1 | Very high | 90.5 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -67.1 | -20.4 | 178.9 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | D305 L309 | D305-T307 PolarHBondContact O-N 2.63Å; D305-T307 VanDerWaalsContact O-N 3.16Å; D305-T307 WeakPolarHBondContact OD2-CB 3.11Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.3Å; D305-T307 PolarHBondContact OD2-OG1 3.42Å; T307-L309 VanDerWaalsContact C-N 3.27Å; T307-L309 PolarHBondContact O-N 3.07Å |
| 308 | E | 87.4 | Confident | 90.4 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -69.3 | -25.3 | 175.8 | -64.2 | 173 | -133 | 0 | 0 | 112.5 | E304 D305 G306 T310 F313 | E304-E308 PolarHBondContact N-OE1 3.1Å; D305-E308 PolarHBondContact N-OE1 3.25Å; D305-E308 VanDerWaalsContact N-OE1 3.14Å; D305-E308 WeakPolarHBondContact O-CB 3.38Å; D305-E308 PolarHBondContact O-N 3.11Å; G306-E308 PolarHBondContact O-N 2.75Å; E308-T310 PolarHBondContact O-N 3.29Å; E308-F313 VanDerWaalsContact O-CB 3.27Å; E308-F313 WeakPolarHBondContact O-CB 3.32Å; E308-F313 WeakPolarHBondContact O-CD1 3.17Å; E308-F313 VanDerWaalsContact O-CG 3.29Å; E308-F313 WeakPolarHBondContact O-CG 3.37Å |
| 309 | L | 89.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -75.7 | 60.5 | -177.6 | -63.4 | 177.1 | 0 | 0 | 0 | 112.4 | L231 P232 V235 I262 I303 G306 T307 F313 M314 | L231-L309 HydrophobicContact CD2-CB 4.24Å; L231-L309 HydrophobicContact CD2-CD1 3.85Å; L231-L309 HydrophobicContact CD2-CG 4.48Å; L231-L309 HydrophobicContact CG-CD1 3.75Å; P232-L309 HydrophobicContact CG-CB 4.37Å; V235-L309 HydrophobicContact CG2-CD1 3.78Å; I262-L309 HydrophobicContact CD1-CD1 4.05Å; I262-L309 HydrophobicContact CD1-CD2 3.96Å; I303-L309 HydrophobicContact CD1-CD1 3.5Å; I303-L309 HydrophobicContact CD1-CD2 3.91Å; I303-L309 HydrophobicContact CD1-CG 3.58Å; I303-L309 HydrophobicContact CG2-CD2 4.17Å; G306-L309 WeakPolarHBondContact O-CB 3.5Å; G306-L309 PolarHBondContact O-N 3.04Å; T307-L309 VanDerWaalsContact C-N 3.27Å; T307-L309 PolarHBondContact O-N 3.07Å; L309-F313 HydrophobicContact CD2-CD1 4.47Å; L309-F313 HydrophobicContact CD2-CE1 4.4Å; L309-M314 HydrophobicContact CD2-SD 3.9Å | ||
| 310 | T | 89.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | trans | -84.6 | 159.2 | 171.5 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | E308 E312 F313 M314 | E308-T310 PolarHBondContact O-N 3.29Å; T310-E312 VanDerWaalsContact C-N 3.26Å; T310-E312 PolarHBondContact O-N 3.17Å; T310-F313 PolarHBondContact O-N 3.08Å; T310-F313 VanDerWaalsContact OG1-CB 3.27Å; T310-F313 WeakPolarHBondContact OG1-CB 3.48Å; T310-F313 PolarHBondContact OG1-N 2.91Å; T310-M314 WeakPolarHBondContact O-CG 3.39Å; T310-M314 PolarHBondContact O-N 3.48Å | ||
| 311 | G | 86.8 | Confident | 89.3 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y315 | G311-Y315 VanDerWaalsContact O-CB 3.29Å; G311-Y315 WeakPolarHBondContact O-CB 3.31Å; G311-Y315 PolarHBondContact O-N 3.05Å |
| 312 | E | 89.1 | Confident | 88.5 | Confident | 169 Ų | 169 | 70.2 Ų | 70.2 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 175.5 | -64.9 | -176.3 | -179.3 | 0 | 0 | 112 | T310 Y315 A316 | T310-E312 VanDerWaalsContact C-N 3.26Å; T310-E312 PolarHBondContact O-N 3.17Å; E312-Y315 PolarHBondContact O-N 3.4Å; E312-A316 VanDerWaalsContact O-CB 3.29Å; E312-A316 WeakPolarHBondContact O-CB 2.99Å; E312-A316 PolarHBondContact O-N 2.94Å |
| 313 | F | 90.7 | Very high | 87.5 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 176.7 | 177.9 | -101.1 | 0 | 0 | 0 | 111.4 | L301 I303 E308 L309 T310 Y315 A316 E317 | L301-F313 HydrophobicContact CD1-CE1 4.33Å; I303-F313 HydrophobicContact CG2-CE1 4.25Å; E308-F313 VanDerWaalsContact O-CB 3.27Å; E308-F313 WeakPolarHBondContact O-CB 3.32Å; E308-F313 WeakPolarHBondContact O-CD1 3.17Å; E308-F313 VanDerWaalsContact O-CG 3.29Å; E308-F313 WeakPolarHBondContact O-CG 3.37Å; L309-F313 HydrophobicContact CD2-CD1 4.47Å; L309-F313 HydrophobicContact CD2-CE1 4.4Å; T310-F313 PolarHBondContact O-N 3.08Å; T310-F313 VanDerWaalsContact OG1-CB 3.27Å; T310-F313 WeakPolarHBondContact OG1-CB 3.48Å; T310-F313 PolarHBondContact OG1-N 2.91Å; F313-Y315 VanDerWaalsContact C-N 3.31Å; F313-Y315 PolarHBondContact O-N 3.05Å; F313-A316 PolarHBondContact O-N 2.66Å; F313-E317 HydrophobicContact CD2-CG 4.47Å; F313-E317 HydrophobicContact CE1-CG 4.19Å; F313-E317 HydrophobicContact CE2-CG 4.07Å; F313-E317 HydrophobicContact CZ-CG 3.92Å; F313-E317 WeakPolarHBondContact O-CB 3.47Å; F313-E317 PolarHBondContact O-N 3.43Å |
| 314 | M | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177.4 | -72.1 | -68.4 | -65.7 | 0 | 0 | 111.7 | L228 F245 Y247 V260 L301 L309 T310 V318 | L228-M314 HydrophobicContact CD1-CB 4.5Å; L228-M314 HydrophobicContact CD1-CG 4.06Å; F245-M314 HydrophobicContact CD1-CE 4.06Å; F245-M314 HydrophobicContact CE1-CE 4.36Å; Y247-M314 HydrophobicContact CD2-CB 4.49Å; Y247-M314 HydrophobicContact CD2-CE 4.21Å; Y247-M314 HydrophobicContact CE1-CB 4.33Å; Y247-M314 HydrophobicContact CE2-CB 4.01Å; Y247-M314 HydrophobicContact CG-CE 4.06Å; V260-M314 HydrophobicContact CB-CE 3.99Å; V260-M314 HydrophobicContact CG1-CE 3.92Å; V260-M314 HydrophobicContact CG2-CE 3.8Å; L301-M314 HydrophobicContact CD1-CE 4.49Å; L301-M314 HydrophobicContact CD1-SD 3.69Å; L309-M314 HydrophobicContact CD2-SD 3.9Å; T310-M314 WeakPolarHBondContact O-CG 3.39Å; T310-M314 PolarHBondContact O-N 3.48Å; M314-V318 WeakPolarHBondContact O-CB 3.14Å; M314-V318 VanDerWaalsContact O-CG2 3.27Å; M314-V318 WeakPolarHBondContact O-CG2 3.38Å; M314-V318 PolarHBondContact O-N 2.77Å; M314-V318 VanDerWaalsContact O-N 3.07Å |
| 315 | Y | 91 | Very high | 85.7 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 34% | 0.341 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 177.8 | -172.4 | -87.5 | 0 | 0 | 0 | 112 | H251 G311 E312 F313 E317 H319 | H251-Y315 AromaticContact CD2-CZ 3.7Å; H251-Y315 PolarHBondContact CD2-OH 3.47Å; G311-Y315 VanDerWaalsContact O-CB 3.29Å; G311-Y315 WeakPolarHBondContact O-CB 3.31Å; G311-Y315 PolarHBondContact O-N 3.05Å; E312-Y315 PolarHBondContact O-N 3.4Å; F313-Y315 VanDerWaalsContact C-N 3.31Å; F313-Y315 PolarHBondContact O-N 3.05Å; Y315-E317 VanDerWaalsContact C-N 3.3Å; Y315-E317 PolarHBondContact O-N 3.21Å; Y315-H319 HydrophobicContact CE1-CB 4.38Å; Y315-H319 WeakPolarHBondContact O-CA 3.24Å; Y315-H319 WeakPolarHBondContact O-CB 3.27Å; Y315-H319 PolarHBondContact O-N 3.02Å |
| 316 | A | 89.9 | Confident | 85.1 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E312 F313 H319 P320 | E312-A316 VanDerWaalsContact O-CB 3.29Å; E312-A316 WeakPolarHBondContact O-CB 2.99Å; E312-A316 PolarHBondContact O-N 2.94Å; F313-A316 PolarHBondContact O-N 2.66Å; A316-H319 CarbonylContact O-C 3.47Å; A316-P320 WeakPolarHBondContact O-CA 3.08Å |
| 317 | E | 89.5 | Confident | 84.8 | Confident | 64 Ų | 64 | 95.9 Ų | 95.9 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -77.9 | -40.8 | 177.5 | -81.9 | -61.1 | 154.1 | 0 | 0 | 113.3 | K299 L301 F313 Y315 | K299-E317 WeakPolarHBondContact CD-O 3.4Å; K299-E317 WeakPolarHBondContact CE-O 3.41Å; K299-E317 WeakPolarHBondContact CE-OE2 3.46Å; K299-E317 PolarHBondContact NZ-O 3.1Å; K299-E317 IonicContact NZ-OE2 3.96Å; K299-E317 PolarHBondContact NZ-OE2 2.66Å; L301-E317 HydrophobicContact CD2-CB 3.77Å; L301-E317 HydrophobicContact CD2-CG 3.74Å; F313-E317 HydrophobicContact CD2-CG 4.47Å; F313-E317 HydrophobicContact CE1-CG 4.19Å; F313-E317 HydrophobicContact CE2-CG 4.07Å; F313-E317 HydrophobicContact CZ-CG 3.92Å; F313-E317 WeakPolarHBondContact O-CB 3.47Å; F313-E317 PolarHBondContact O-N 3.43Å; Y315-E317 VanDerWaalsContact C-N 3.3Å; Y315-E317 PolarHBondContact O-N 3.21Å |
| 318 | V | 89.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 101.4 Ų | 101.4 | 8% | 0.079 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | Y247 V260 E298 K299 M314 P320 | Y247-V318 HydrophobicContact CD1-CG2 4.09Å; Y247-V318 HydrophobicContact CE1-CG2 4.37Å; V260-V318 HydrophobicContact CG2-CG2 4Å; E298-V318 HydrophobicContact CG-CG1 4.07Å; K299-V318 HydrophobicContact CB-CG2 4.25Å; M314-V318 WeakPolarHBondContact O-CB 3.14Å; M314-V318 VanDerWaalsContact O-CG2 3.27Å; M314-V318 WeakPolarHBondContact O-CG2 3.38Å; M314-V318 PolarHBondContact O-N 2.77Å; M314-V318 VanDerWaalsContact O-N 3.07Å; V318-P320 WeakPolarHBondContact O-CD 3.41Å |
| 319 | H | 88.4 | Confident | 84.5 | Confident | 35 Ų | 35 | 107.1 Ų | 107.1 | 16% | 0.162 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -121.7 | 84.7 | 179.4 | -59.3 | -64.9 | 0 | 0 | 0 | 111.1 | H249 H251 Y315 A316 K321 | H249-H319 AromaticContact CD2-NE2 3.6Å; H249-H319 AromaticContact CE1-NE2 3.94Å; H249-H319 AromaticContact NE2-CD2 3.64Å; H249-H319 AromaticContact NE2-CE1 3.92Å; H249-H319 AromaticContact NE2-NE2 2.84Å; H249-H319 PolarHBondContact NE2-NE2 3.12Å; H251-H319 AromaticContact CD2-CD2 3.34Å; H251-H319 PolarHBondContact CD2-CD2 3.03Å; H251-H319 AromaticContact CD2-CE1 3.64Å; H251-H319 AromaticContact CD2-CG 3.24Å; H251-H319 AromaticContact CD2-ND1 3.46Å; H251-H319 PolarHBondContact CD2-ND1 3.37Å; H251-H319 AromaticContact CD2-NE2 3.57Å; H251-H319 AromaticContact CE1-ND1 3.85Å; H251-H319 AromaticContact CG-CD2 3.88Å; H251-H319 AromaticContact CG-CE1 3.58Å; H251-H319 AromaticContact CG-CG 3.97Å; H251-H319 AromaticContact CG-ND1 3.81Å; H251-H319 AromaticContact CG-NE2 3.61Å; H251-H319 AromaticContact ND1-CE1 3.95Å; H251-H319 AromaticContact NE2-CG 3.52Å; H251-H319 AromaticContact NE2-ND1 3.54Å; Y315-H319 HydrophobicContact CE1-CB 4.38Å; Y315-H319 WeakPolarHBondContact O-CA 3.24Å; Y315-H319 WeakPolarHBondContact O-CB 3.27Å; Y315-H319 PolarHBondContact O-N 3.02Å; A316-H319 CarbonylContact O-C 3.47Å; H319-K321 PolarHBondContact O-N 3.16Å |
| 320 | P | 84.7 | Confident | 84.5 | Confident | 94 Ų | 94 | 110.5 Ų | 110.5 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 127.2 | -178.7 | -24.5 | 33.7 | 0 | 0 | 0 | 111.7 | A316 V318 Q322 | A316-P320 WeakPolarHBondContact O-CA 3.08Å; V318-P320 WeakPolarHBondContact O-CD 3.41Å; P320-Q322 PolarHBondContact O-N 3.31Å |
| 321 | K | 80.8 | Confident | 84.5 | Confident | 172 Ų | 172 | 116.5 Ų | 116.5 | 75% | 0.748 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 126.2 | 172.8 | -63.9 | 179.4 | -176.2 | 174.7 | 0 | 108.6 | H319 H323 | H319-K321 PolarHBondContact O-N 3.16Å; K321-H323 PolarHBondContact O-N 3.09Å |
| 322 | Q | 77 | Confident | 84.7 | Confident | 189 Ų | 189 | 120.6 Ų | 120.6 | 88% | 0.883 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.1 | 170.6 | -66 | -177.6 | -3.2 | 0 | 0 | 108.6 | P320 A324 | P320-Q322 PolarHBondContact O-N 3.31Å; Q322-A324 PolarHBondContact O-N 3.48Å |
| 323 | H | 74.8 | Confident | 84.5 | Confident | 191 Ų | 191 | 122.5 Ų | 122.5 | 88% | 0.884 | 59% | 0.592 | S | S | * | * | trans | -54.9 | 110.8 | -177.4 | -73.1 | -56.1 | 0 | 0 | 0 | 109.9 | K321 Y325 | K321-H323 PolarHBondContact O-N 3.09Å; H323-Y325 PolarHBondContact O-N 3.14Å | ||
| 324 | A | 68.3 | Low | 84.1 | Confident | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 61% | 0.607 | S | S | * | * | trans | -56 | 132.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q322 K326 | Q322-A324 PolarHBondContact O-N 3.48Å; A324-K326 PolarHBondContact O-N 2.98Å | ||
| 325 | Y | 75.3 | Confident | 84 | Confident | 179 Ų | 179 | 126.8 Ų | 126.8 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -43.5 | 123.5 | 179.6 | 175.7 | -96.4 | 0 | 0 | 0 | 110.8 | H323 E327 | H323-Y325 PolarHBondContact O-N 3.14Å; Y325-E327 PolarHBondContact O-N 3.04Å | ||
| 326 | K | 77.1 | Confident | 83.6 | Confident | 183 Ų | 183 | 127.8 Ų | 127.8 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | trans | -57.7 | 109.4 | -179.6 | -172.5 | 175.7 | -174.5 | 173 | 0 | 109.2 | A324 R328 | A324-K326 PolarHBondContact O-N 2.98Å; K326-R328 PolarHBondContact O-N 3.31Å | ||
| 327 | E | 82.1 | Confident | 83.2 | Confident | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 124 | -179.4 | -66 | -170.8 | 166.3 | 0 | 0 | 109.7 | Y325 | Y325-E327 PolarHBondContact O-N 3.04Š|
| 328 | R | 82.8 | Confident | 82.6 | Confident | 206 Ų | 206 | 134 Ų | 134 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -99 | 121.5 | 177.6 | -66.6 | -173.8 | -179 | -163.3 | -0.6 | 108.4 | K326 | K326-R328 PolarHBondContact O-N 3.31Š|
| 329 | F | 88.4 | Confident | 81.9 | Confident | 195 Ų | 195 | 145.6 Ų | 145.6 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 141.6 | 170.2 | -177.3 | -100.7 | 0 | 0 | 0 | 110.6 | K331 | F329-K331 PolarHBondContact O-N 2.93Š|
| 330 | A | 89.7 | Confident | 81.3 | Confident | 73 Ų | 73 | 146.7 Ų | 146.7 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 130.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 331 | K | 89 | Confident | 81.2 | Confident | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58 | 146 | 172.8 | -68.9 | -177.3 | 178.4 | -177.8 | 0 | 109.8 | F329 | F329-K331 PolarHBondContact O-N 2.93Š|
| 332 | P | 90.3 | Very high | 81 | Confident | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 150.3 | 175.3 | -25.7 | 33.1 | 0 | 0 | 0 | 112.1 | G334 | P332-G334 PolarHBondContact O-N 2.69Š|
| 333 | K | 86.2 | Confident | 81.3 | Confident | 209 Ų | 209 | 150.2 Ų | 150.2 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 130.3 | 173 | -67 | -176.6 | -179 | 178.7 | 0 | 108.5 | ||
| 334 | G | 81.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 148.5 Ų | 148.5 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | trans | -63.4 | 177 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | P332 A336 | P332-G334 PolarHBondContact O-N 2.69Å; G334-A336 PolarHBondContact O-N 2.82Å | ||
| 335 | P | 86.6 | Confident | 82.2 | Confident | 93 Ų | 93 | 150.9 Ų | 150.9 | 60% | 0.604 | 77% | 0.774 | S | S | * | * | trans | -51.2 | 128.6 | -178.8 | -22.2 | 30.2 | 0 | 0 | 0 | 111.8 | ||||
| 336 | A | 84.1 | Confident | 81.9 | Confident | 108 Ų | 108 | 152.3 Ų | 152.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 139 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G334 | G334-A336 PolarHBondContact O-N 2.82Š|
| 337 | G | 81.8 | Confident | 81.2 | Confident | 73 Ų | 73 | 148.4 Ų | 148.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.4 | 18.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R339 | G337-R339 PolarHBondContact O-N 3.22Š|
| 338 | K | 75.8 | Confident | 79.8 | Confident | 157 Ų | 157 | 145.5 Ų | 145.5 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | trans | -57 | 108.1 | 172.3 | -101.3 | -170.3 | 175.7 | -172 | 0 | 111 | G340 | K338-G340 PolarHBondContact O-N 3.19Š| ||
| 339 | R | 74.4 | Confident | 78.2 | Confident | 256 Ų | 256 | 138.9 Ų | 138.9 | 97% | 0.966 | 77% | 0.765 | S | S | * | * | trans | -84.8 | 102.5 | 171.8 | -73.4 | 177.6 | 148.1 | -177.7 | -7 | 108.9 | G337 | G337-R339 PolarHBondContact O-N 3.22Š| ||
| 340 | G | 77.1 | Confident | 76.4 | Confident | 57 Ų | 57 | 139 Ų | 139 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 123.3 | 146.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | K338 | K338-G340 PolarHBondContact O-N 3.19Š|
| 341 | G | 81.6 | Confident | 74.2 | Confident | 63 Ų | 63 | 138.6 Ų | 138.6 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 158.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R343 | G341-R343 PolarHBondContact O-N 3.17Å; G341-R343 VanDerWaalsContact O-N 3.16Å |
| 342 | R | 77.6 | Confident | 71.9 | Confident | 251 Ų | 251 | 138.4 Ų | 138.4 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.6 | 171.2 | -70.1 | -177.5 | -179.6 | 179.5 | 0.9 | 108.3 | ||
| 343 | R | 82.3 | Confident | 69.5 | Low | 216 Ų | 216 | 141.7 Ų | 141.7 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -100 | 141.5 | 173.7 | -62.7 | -178.2 | -179 | -174.1 | -1.5 | 108.5 | G341 T345 | G341-R343 PolarHBondContact O-N 3.17Å; G341-R343 VanDerWaalsContact O-N 3.16Å; R343-T345 PolarHBondContact O-N 2.98Å |
| 344 | I | 83.6 | Confident | 67.3 | Low | 154 Ų | 154 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.2 | 168 | -62.9 | 170.6 | 0 | 0 | 0 | 106.2 | R346 | I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 HydrophobicContact CG2-CB 4Å |
| 345 | T | 79.5 | Confident | 65.2 | Low | 144 Ų | 144 | 149 Ų | 149 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -89.9 | 3.8 | -179.2 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | R343 | R343-T345 PolarHBondContact O-N 2.98Š| ||
| 346 | R | 68.1 | Low | 64.1 | Low | 209 Ų | 209 | 151.8 Ų | 151.8 | 79% | 0.789 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -94 | 126.8 | 176 | -149.6 | 176.9 | -172.8 | -178.1 | -0.2 | 108.3 | I344 | I344-R346 VanDerWaalsContact C-N 3.3Å; I344-R346 HydrophobicContact CG2-CB 4Å |
| 347 | P | 63.1 | Low | 63 | Low | 101 Ų | 101 | 154.1 Ų | 154.1 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.9 | 162 | 26.5 | -29.9 | 0 | 0 | 0 | 108.2 | G349 | P347-G349 PolarHBondContact O-N 3.42Š|
| 348 | P | 51.7 | Low | 62 | Low | 123 Ų | 123 | 158.6 Ų | 158.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.9 | 169 | 23.2 | -29.9 | 0 | 0 | 0 | 107.2 | E350 | P348-E350 PolarHBondContact O-N 3.07Š|
| 349 | G | 49.6 | Very low | 61.2 | Low | 68 Ų | 68 | 158.6 Ų | 158.6 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P347 G351 | P347-G349 PolarHBondContact O-N 3.42Å; G349-G351 PolarHBondContact O-N 3.49Å; G349-G351 VanDerWaalsContact O-N 3.12Å |
| 350 | E | 50.5 | Low | 60.4 | Low | 198 Ų | 198 | 152.6 Ų | 152.6 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 123.1 | 161.6 | -71.2 | 172.7 | 167.3 | 0 | 0 | 106.3 | P348 E352 | P348-E350 PolarHBondContact O-N 3.07Å; E350-E352 PolarHBondContact O-N 3.45Å |
| 351 | G | 43.6 | Very low | 59.2 | Low | 64 Ų | 64 | 158.9 Ų | 158.9 | 66% | 0.66 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 136.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G349 E353 | G349-G351 PolarHBondContact O-N 3.49Å; G349-G351 VanDerWaalsContact O-N 3.12Å; G351-E353 VanDerWaalsContact C-N 3.3Å; G351-E353 PolarHBondContact O-N 3.08Å |
| 352 | E | 40.4 | Very low | 57.6 | Low | 191 Ų | 191 | 165.8 Ų | 165.8 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | trans | -46.6 | 106.2 | 155.2 | -69.3 | 168.2 | 161.7 | 0 | 0 | 106.1 | E350 E354 | E350-E352 PolarHBondContact O-N 3.45Å; E352-E354 PolarHBondContact O-N 3.21Å | ||
| 353 | E | 40.8 | Very low | 56.1 | Low | 184 Ų | 184 | 159.2 Ų | 159.2 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -60.3 | 102 | 157.2 | -76.6 | -177.8 | 158.6 | 0 | 0 | 104.3 | G351 D355 | G351-E353 VanDerWaalsContact C-N 3.3Å; G351-E353 PolarHBondContact O-N 3.08Å; E353-D355 PolarHBondContact O-N 2.77Å; E353-D355 VanDerWaalsContact O-N 3.11Å | ||
| 354 | E | 39.3 | Very low | 53.9 | Low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -58.8 | 105.8 | 159.5 | -74.3 | -178.3 | 157.8 | 0 | 0 | 107.1 | E352 | E352-E354 PolarHBondContact O-N 3.21Š| ||
| 355 | D | 36.9 | Very low | 51.2 | Low | 233 Ų | 233 | 154.5 Ų | 154.5 | 100% | 1.246 | 84% | 0.843 | S | S | * | * | trans | -115.4 | 0 | 151.2 | -93.3 | -18.4 | 0 | 0 | 0 | 108.9 | E353 | E353-D355 PolarHBondContact O-N 2.77Å; E353-D355 VanDerWaalsContact O-N 3.11Å |
Retrieved 355 of 355 residues in 378.4 ms
(Link to these results)