| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.5 | Very low | 46.4 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 100% | 1.143 | 70% | 0.698 | S | S | * | * | 0 | 69.7 | 0 | -60.7 | 177.5 | -61.2 | 0 | 0 | 110.4 | |||||
| 2 | K | 41.9 | Very low | 47 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -141.7 | -5.4 | 172.5 | -76.4 | -167 | 176.7 | -178.5 | 0 | 114.4 | ||||
| 3 | N | 44.5 | Very low | 47.8 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -101.6 | -0 | 178.8 | -78.7 | -5.2 | 0 | 0 | 0 | 114.8 | ||
| 4 | V | 49.8 | Very low | 49 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -85.2 | -41.3 | -175 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | F6 L7 F8 | V4-F6 PolarHBondContact O-N 2.78Å; V4-L7 PolarHBondContact O-N 2.74Å; V4-F8 HydrophobicContact CG1-CD2 3.64Å; V4-F8 HydrophobicContact CG1-CE2 3.44Å; V4-F8 VanDerWaalsContact CG1-CE2 3.44Å; V4-F8 VanDerWaalsContact O-CD2 3.26Å; V4-F8 WeakPolarHBondContact O-CD2 3.33Å; V4-F8 PolarHBondContact O-N 2.68Å |
| 5 | A | 48.7 | Very low | 50.5 | Low | 61 Ų | 61 | 137.1 Ų | 137.1 | 50% | 0.504 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.5 | -39.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | L7 F8 F9 | A5-L7 PolarHBondContact O-N 2.81Å; A5-F8 PolarHBondContact O-N 3.29Å; A5-F9 WeakPolarHBondContact O-CD2 3.29Å; A5-F9 PolarHBondContact O-N 3.3Å |
| 6 | F | 45.1 | Very low | 51.5 | Low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.754 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.8 | -38.9 | 178.9 | -98.2 | -86.1 | 0 | 0 | 0 | 113 | V4 W10 | V4-F6 PolarHBondContact O-N 2.78Å; F6-W10 PolarHBondContact O-N 2.83Å; F6-W10 VanDerWaalsContact O-N 3.17Å |
| 7 | L | 50.2 | Low | 53.5 | Low | 120 Ų | 120 | 130 Ų | 130 | 63% | 0.628 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68 | -37.5 | 176.8 | -70.4 | 170 | 0 | 0 | 0 | 111.9 | V4 A5 W11 | V4-L7 PolarHBondContact O-N 2.74Å; A5-L7 PolarHBondContact O-N 2.81Å; L7-W11 WeakPolarHBondContact O-CB 3.41Å; L7-W11 PolarHBondContact O-N 3.21Å |
| 8 | F | 49.4 | Very low | 55.6 | Low | 108 Ų | 108 | 124.3 Ų | 124.3 | 47% | 0.474 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.9 | -48.8 | 175.5 | -86.3 | -74.4 | 0 | 0 | 0 | 111.7 | V4 A5 W10 W11 Y12 | V4-F8 HydrophobicContact CG1-CD2 3.64Å; V4-F8 HydrophobicContact CG1-CE2 3.44Å; V4-F8 VanDerWaalsContact CG1-CE2 3.44Å; V4-F8 VanDerWaalsContact O-CD2 3.26Å; V4-F8 WeakPolarHBondContact O-CD2 3.33Å; V4-F8 PolarHBondContact O-N 2.68Å; A5-F8 PolarHBondContact O-N 3.29Å; F8-W10 VanDerWaalsContact C-N 3.35Å; F8-W10 PolarHBondContact O-N 3.08Å; F8-W11 PolarHBondContact O-N 2.94Å; F8-Y12 HydrophobicContact CD1-CE2 4.33Å; F8-Y12 WeakPolarHBondContact O-CD2 3.44Å; F8-Y12 PolarHBondContact O-N 3.09Å |
| 9 | F | 45.7 | Very low | 57.5 | Low | 158 Ų | 158 | 124.4 Ų | 124.4 | 69% | 0.693 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | -179.8 | -88 | -79.5 | 0 | 0 | 0 | 113 | A5 Y12 S13 | A5-F9 WeakPolarHBondContact O-CD2 3.29Å; A5-F9 PolarHBondContact O-N 3.3Å; F9-Y12 PolarHBondContact O-N 3.4Å; F9-S13 PolarHBondContact O-N 3.17Å; F9-S13 PolarHBondContact O-OG 2.84Å |
| 10 | W | 44.3 | Very low | 59.3 | Low | 197 Ų | 197 | 122.1 Ų | 122.1 | 75% | 0.746 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.8 | -37.3 | -179.1 | -151.7 | 40.1 | 0 | 0 | 0 | 112.5 | F6 F8 S13 V14 | F6-W10 PolarHBondContact O-N 2.83Å; F6-W10 VanDerWaalsContact O-N 3.17Å; F8-W10 VanDerWaalsContact C-N 3.35Å; F8-W10 PolarHBondContact O-N 3.08Å; W10-S13 PolarHBondContact O-N 3.45Å; W10-V14 WeakPolarHBondContact O-CG2 3.4Å; W10-V14 PolarHBondContact O-N 3.43Å; W10-V14 VanDerWaalsContact O-N 3.14Å |
| 11 | W | 47.6 | Very low | 61 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.6 | -37.4 | 177.2 | -164.4 | 3.9 | 0 | 0 | 0 | 112.9 | L7 F8 K15 | L7-W11 WeakPolarHBondContact O-CB 3.41Å; L7-W11 PolarHBondContact O-N 3.21Å; F8-W11 PolarHBondContact O-N 2.94Å; W11-K15 PolarHBondContact O-N 3.03Å |
| 12 | Y | 52.8 | Low | 63.4 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 66% | 0.655 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 175.6 | -83.8 | -73 | 0 | 0 | 0 | 112.4 | F8 F9 A16 | F8-Y12 HydrophobicContact CD1-CE2 4.33Å; F8-Y12 WeakPolarHBondContact O-CD2 3.44Å; F8-Y12 PolarHBondContact O-N 3.09Å; F9-Y12 PolarHBondContact O-N 3.4Å; Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.29Å; Y12-A16 VanDerWaalsContact O-N 3.09Å |
| 13 | S | 57.7 | Low | 66 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -48 | 177 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | F9 W10 K15 A16 D17 | F9-S13 PolarHBondContact O-N 3.17Å; F9-S13 PolarHBondContact O-OG 2.84Å; W10-S13 PolarHBondContact O-N 3.45Å; S13-K15 VanDerWaalsContact C-N 3.29Å; S13-K15 PolarHBondContact O-N 2.95Å; S13-A16 PolarHBondContact O-N 3.33Å; S13-D17 VanDerWaalsContact O-CG 3.28Å; S13-D17 PolarHBondContact O-N 2.92Å |
| 14 | V | 64.3 | Low | 68.3 | Low | 78 Ų | 78 | 103.7 Ų | 103.7 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | -179.9 | 174.5 | 0 | 0 | 0 | 0 | 112 | W10 F18 | W10-V14 WeakPolarHBondContact O-CG2 3.4Å; W10-V14 PolarHBondContact O-N 3.43Å; W10-V14 VanDerWaalsContact O-N 3.14Å; V14-F18 WeakPolarHBondContact O-CB 3.49Å; V14-F18 PolarHBondContact O-N 2.69Å |
| 15 | K | 71.3 | Confident | 70.4 | Confident | 116 Ų | 116 | 99.5 Ų | 99.5 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 174.2 | -85.9 | -165.3 | 173.2 | -166.9 | 0 | 112.8 | W11 S13 D17 F18 E19 | W11-K15 PolarHBondContact O-N 3.03Å; S13-K15 VanDerWaalsContact C-N 3.29Å; S13-K15 PolarHBondContact O-N 2.95Å; K15-D17 VanDerWaalsContact C-N 3.3Å; K15-D17 PolarHBondContact O-N 3.06Å; K15-F18 PolarHBondContact O-N 3.35Å; K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.03Å |
| 16 | A | 67.9 | Low | 72.6 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y12 S13 S20 | Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.29Å; Y12-A16 VanDerWaalsContact O-N 3.09Å; S13-A16 PolarHBondContact O-N 3.33Å; A16-S20 WeakPolarHBondContact O-CB 3.4Å; A16-S20 PolarHBondContact O-N 2.82Å; A16-S20 VanDerWaalsContact O-N 3.08Å |
| 17 | D | 85.3 | Confident | 74.9 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.8 | -67 | -19.6 | 0 | 0 | 0 | 110.9 | S13 K15 S20 N21 | S13-D17 VanDerWaalsContact O-CG 3.28Å; S13-D17 PolarHBondContact O-N 2.92Å; K15-D17 VanDerWaalsContact C-N 3.3Å; K15-D17 PolarHBondContact O-N 3.06Å; D17-S20 PolarHBondContact O-N 2.96Å; D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.19Å; D17-N21 PolarHBondContact O-ND2 3.27Å |
| 18 | F | 90.3 | Very high | 76.9 | Confident | 28 Ų | 28 | 93.1 Ų | 93.1 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 176.1 | 174 | -105.2 | 0 | 0 | 0 | 112.8 | V14 K15 S20 N21 L22 Y39 S40 I62 | V14-F18 WeakPolarHBondContact O-CB 3.49Å; V14-F18 PolarHBondContact O-N 2.69Å; K15-F18 PolarHBondContact O-N 3.35Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 2.97Å; F18-N21 PolarHBondContact O-N 3.31Å; F18-L22 HydrophobicContact CE1-CD2 4.09Å; F18-L22 HydrophobicContact CZ-CB 4.41Å; F18-L22 HydrophobicContact CZ-CD2 3.97Å; F18-L22 WeakPolarHBondContact O-CB 3.23Å; F18-L22 PolarHBondContact O-N 3.19Å; F18-Y39 VanDerWaalsContact CZ-C 3.45Å; F18-S40 VanDerWaalsContact CE2-CA 3.5Å; F18-I62 HydrophobicContact CE2-CB 4.21Å |
| 19 | E | 92.2 | Very high | 78.9 | Confident | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | -179.4 | -73.8 | 176.7 | -169 | 0 | 0 | 111.7 | K15 K23 | K15-E19 WeakPolarHBondContact O-CG 3.45Å; K15-E19 PolarHBondContact O-N 3.03Å; E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.25Å; E19-K23 PolarHBondContact O-N 3.33Å |
| 20 | S | 93.6 | Very high | 81.1 | Confident | 79 Ų | 79 | 90.2 Ų | 90.2 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | A16 D17 F18 K23 M24 | A16-S20 WeakPolarHBondContact O-CB 3.4Å; A16-S20 PolarHBondContact O-N 2.82Å; A16-S20 VanDerWaalsContact O-N 3.08Å; D17-S20 PolarHBondContact O-N 2.96Å; F18-S20 VanDerWaalsContact C-N 3.34Å; F18-S20 PolarHBondContact O-N 2.97Å; S20-K23 WeakPolarHBondContact O-CB 3.43Å; S20-K23 PolarHBondContact O-N 3.33Å; S20-M24 PolarHBondContact O-N 2.89Å; S20-M24 VanDerWaalsContact O-N 3.09Å |
| 21 | N | 94.4 | Very high | 83.4 | Confident | 61 Ų | 61 | 81.5 Ų | 81.5 | 33% | 0.326 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | -179.9 | -75.3 | -13.8 | 0 | 0 | 0 | 111.8 | D17 F18 K23 M24 V25 I62 F119 | D17-N21 WeakPolarHBondContact O-CB 3.39Å; D17-N21 PolarHBondContact O-N 3.19Å; D17-N21 PolarHBondContact O-ND2 3.27Å; F18-N21 PolarHBondContact O-N 3.31Å; N21-K23 VanDerWaalsContact C-N 3.32Å; N21-K23 PolarHBondContact O-N 2.89Å; N21-M24 WeakPolarHBondContact O-CB 3.48Å; N21-M24 PolarHBondContact O-N 3.14Å; N21-M24 VanDerWaalsContact O-N 3.12Å; N21-V25 PolarHBondContact O-N 3.06Å; N21-V25 VanDerWaalsContact O-N 3.11Å; N21-I62 HydrophobicContact CB-CD1 3.58Å; N21-F119 HydrophobicContact CB-CE1 3.83Å; N21-F119 HydrophobicContact CB-CE2 4.1Å; N21-F119 HydrophobicContact CB-CZ 3.3Å; N21-F119 VanDerWaalsContact CG-CZ 3.47Å; N21-F119 VanDerWaalsContact O-CE2 3.29Å; N21-F119 WeakPolarHBondContact O-CE2 3.29Å |
| 22 | L | 95.4 | Very high | 85.5 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 176.2 | -176.7 | 64.5 | 0 | 0 | 0 | 111.4 | F18 M24 V25 V26 T36 N38 | F18-L22 HydrophobicContact CE1-CD2 4.09Å; F18-L22 HydrophobicContact CZ-CB 4.41Å; F18-L22 HydrophobicContact CZ-CD2 3.97Å; F18-L22 WeakPolarHBondContact O-CB 3.23Å; F18-L22 PolarHBondContact O-N 3.19Å; L22-M24 PolarHBondContact O-N 2.95Å; L22-V25 WeakPolarHBondContact O-CB 2.91Å; L22-V25 PolarHBondContact O-N 2.58Å; L22-V25 VanDerWaalsContact O-N 3.1Å; L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.99Å; L22-T36 HydrophobicContact CD1-CG2 3.94Å; L22-T36 HydrophobicContact CD2-CG2 4.33Å; L22-T36 HydrophobicContact CG-CG2 4.38Å; L22-N38 HydrophobicContact CD2-CB 4.15Å; L22-N38 WeakPolarHBondContact CD2-OD1 3.27Å |
| 23 | K | 95.3 | Very high | 87.3 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 60% | 0.604 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.8 | -38 | 174.5 | -175.9 | 177.1 | -179.6 | 179.3 | 0 | 111.9 | E19 S20 N21 V26 L27 | E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.25Å; E19-K23 PolarHBondContact O-N 3.33Å; S20-K23 WeakPolarHBondContact O-CB 3.43Å; S20-K23 PolarHBondContact O-N 3.33Å; N21-K23 VanDerWaalsContact C-N 3.32Å; N21-K23 PolarHBondContact O-N 2.89Å; K23-V26 PolarHBondContact O-N 3.3Å; K23-L27 HydrophobicContact CG-CD1 3.98Å; K23-L27 HydrophobicContact CG-CG 4.4Å; K23-L27 WeakPolarHBondContact O-CB 3.49Å; K23-L27 VanDerWaalsContact O-CG 3.28Å; K23-L27 WeakPolarHBondContact O-CG 3.32Å; K23-L27 PolarHBondContact O-N 3.07Å |
| 24 | M | 93.4 | Very high | 89 | Confident | 83 Ų | 83 | 79 Ų | 79 | 41% | 0.409 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 173.6 | -174.4 | 175.6 | 62.9 | 0 | 0 | 111.6 | S20 N21 L22 V26 L27 T28 F119 | S20-M24 PolarHBondContact O-N 2.89Å; S20-M24 VanDerWaalsContact O-N 3.09Å; N21-M24 WeakPolarHBondContact O-CB 3.48Å; N21-M24 PolarHBondContact O-N 3.14Å; N21-M24 VanDerWaalsContact O-N 3.12Å; L22-M24 PolarHBondContact O-N 2.95Å; M24-V26 PolarHBondContact O-N 3.34Å; M24-L27 PolarHBondContact O-N 2.71Å; M24-T28 WeakPolarHBondContact O-CB 3.48Å; M24-T28 PolarHBondContact O-N 2.57Å; M24-T28 PolarHBondContact O-OG1 2.91Å; M24-F119 HydrophobicContact CE-CD2 4.19Å; M24-F119 HydrophobicContact CE-CE1 3.92Å; M24-F119 HydrophobicContact CE-CE2 3.28Å; M24-F119 HydrophobicContact CE-CZ 3.13Å |
| 25 | V | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -55.6 | -51.5 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | N21 L22 L27 T28 H29 C60 I62 F119 | N21-V25 PolarHBondContact O-N 3.06Å; N21-V25 VanDerWaalsContact O-N 3.11Å; L22-V25 WeakPolarHBondContact O-CB 2.91Å; L22-V25 PolarHBondContact O-N 2.58Å; L22-V25 VanDerWaalsContact O-N 3.1Å; V25-L27 PolarHBondContact O-N 3.39Å; V25-T28 PolarHBondContact O-N 3.46Å; V25-H29 WeakPolarHBondContact O-CB 2.98Å; V25-H29 PolarHBondContact O-CD2 3.03Å; V25-H29 VanDerWaalsContact O-CD2 3.25Å; V25-H29 PolarHBondContact O-N 3.32Å; V25-C60 HydrophobicContact CG1-CB 4.25Å; V25-I62 HydrophobicContact CG2-CD1 4.1Å; V25-I62 HydrophobicContact CG2-CG1 3.91Å; V25-F119 HydrophobicContact CG2-CD2 3.49Å; V25-F119 VanDerWaalsContact CG2-CD2 3.49Å; V25-F119 HydrophobicContact CG2-CE2 3.47Å; V25-F119 VanDerWaalsContact CG2-CE2 3.47Å |
| 26 | V | 94.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 71.1 Ų | 71.1 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | -177 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | L22 K23 M24 Q30 C31 T36 | L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.99Å; K23-V26 PolarHBondContact O-N 3.3Å; M24-V26 PolarHBondContact O-N 3.34Å; V26-Q30 VanDerWaalsContact O-CA 3.32Å; V26-Q30 WeakPolarHBondContact O-CA 3.29Å; V26-Q30 PolarHBondContact O-N 3.18Å; V26-C31 HydrophobicContact CB-CB 4.35Å; V26-C31 HydrophobicContact CG1-CB 4.27Å; V26-C31 HydrophobicContact CG2-CB 4.19Å; V26-C31 PolarHBondContact O-N 2.88Å; V26-C31 VanDerWaalsContact O-N 3.11Å; V26-T36 HydrophobicContact CG2-CG2 3.88Å |
| 27 | L | 94.1 | Very high | 92.9 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 63% | 0.634 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.5 | -41.5 | -179.3 | -70.6 | 173 | 0 | 0 | 0 | 112.3 | K23 M24 V25 | K23-L27 HydrophobicContact CG-CD1 3.98Å; K23-L27 HydrophobicContact CG-CG 4.4Å; K23-L27 WeakPolarHBondContact O-CB 3.49Å; K23-L27 VanDerWaalsContact O-CG 3.28Å; K23-L27 WeakPolarHBondContact O-CG 3.32Å; K23-L27 PolarHBondContact O-N 3.07Å; M24-L27 PolarHBondContact O-N 2.71Å; V25-L27 PolarHBondContact O-N 3.39Å |
| 28 | T | 91.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.2 | -41.7 | -176.9 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | M24 V25 Y117 T118 | M24-T28 WeakPolarHBondContact O-CB 3.48Å; M24-T28 PolarHBondContact O-N 2.57Å; M24-T28 PolarHBondContact O-OG1 2.91Å; V25-T28 PolarHBondContact O-N 3.46Å; T28-Y117 HydrophobicContact CG2-CD2 4.17Å; T28-Y117 HydrophobicContact CG2-CE2 3.15Å; T28-Y117 WeakPolarHBondContact CG2-OH 3.32Å; T28-Y117 PolarHBondContact O-OH 3.31Å; T28-T118 HydrophobicContact CG2-CG2 3.48Å; T28-T118 VanDerWaalsContact CG2-CG2 3.48Å |
| 29 | H | 90.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -96.4 | 0.3 | -177.3 | -60.4 | -75.1 | 0 | 0 | 0 | 114 | V25 C31 Y87 Y117 T118 | V25-H29 WeakPolarHBondContact O-CB 2.98Å; V25-H29 PolarHBondContact O-CD2 3.03Å; V25-H29 VanDerWaalsContact O-CD2 3.25Å; V25-H29 PolarHBondContact O-N 3.32Å; H29-C31 VanDerWaalsContact C-N 3.29Å; H29-C31 PolarHBondContact O-N 3.31Å; H29-Y87 HydrophobicContact CB-CD1 4.07Å; H29-Y87 HydrophobicContact CB-CG 4.42Å; H29-Y87 AromaticContact CG-CD1 3.86Å; H29-Y87 AromaticContact ND1-CD1 3.45Å; H29-Y87 WeakPolarHBondContact ND1-CD1 3.32Å; H29-Y117 AromaticContact CE1-CD1 3.7Å; H29-Y117 AromaticContact CE1-CE1 3.1Å; H29-Y117 WeakPolarHBondContact CE1-CE1 3.36Å; H29-Y117 AromaticContact CE1-CE2 3.91Å; H29-Y117 AromaticContact CE1-CZ 3.21Å; H29-Y117 PolarHBondContact CE1-OH 2.83Å; H29-Y117 AromaticContact ND1-CE1 3.43Å; H29-Y117 WeakPolarHBondContact ND1-CE1 3.25Å; H29-Y117 AromaticContact ND1-CZ 3.36Å; H29-Y117 PolarHBondContact ND1-OH 3.06Å; H29-Y117 VanDerWaalsContact ND1-OH 3.1Å; H29-T118 VanDerWaalsContact NE2-CG2 3.31Å; H29-T118 WeakPolarHBondContact NE2-CG2 3.44Å; H29-T118 PolarHBondContact NE2-OG1 3.05Å; H29-T118 VanDerWaalsContact NE2-OG1 3.12Å |
| 30 | Q | 92 | Very high | 93.4 | Very high | 178 Ų | 178 | 67.8 Ų | 67.8 | 83% | 0.832 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 46.2 | -176.5 | -56.6 | 177.3 | 18.7 | 0 | 0 | 112.2 | V26 | V26-Q30 VanDerWaalsContact O-CA 3.32Å; V26-Q30 WeakPolarHBondContact O-CA 3.29Å; V26-Q30 PolarHBondContact O-N 3.18Å |
| 31 | C | 92.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.095 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 140 | -173.7 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | V26 H29 P33 C60 | V26-C31 HydrophobicContact CB-CB 4.35Å; V26-C31 HydrophobicContact CG1-CB 4.27Å; V26-C31 HydrophobicContact CG2-CB 4.19Å; V26-C31 PolarHBondContact O-N 2.88Å; V26-C31 VanDerWaalsContact O-N 3.11Å; H29-C31 VanDerWaalsContact C-N 3.29Å; H29-C31 PolarHBondContact O-N 3.31Å; C31-P33 WeakPolarHBondContact O-CD 3.43Å; C31-C60 HydrophobicContact CB-CB 3.58Å; C31-C60 WeakPolarHBondContact CB-SG 3.29Å; C31-C60 WeakPolarHBondContact SG-CB 3.45Å; C31-C60 CovalentContact SG-SG 2.01Å; C31-C60 PolarHBondContact SG-SG 2.9Å | ||
| 32 | D | 92.6 | Very high | 93.7 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | trans | -66.5 | 124.9 | 164.1 | -168.5 | -34 | 0 | 0 | 0 | 109 | E34 C35 T36 | D32-E34 PolarHBondContact O-N 3.18Å; D32-E34 PolarHBondContact OD1-N 2.94Å; D32-C35 HydrophobicContact CB-CB 4.18Å; D32-C35 CarbonylContact O-C 3.58Å; D32-C35 PolarHBondContact O-N 3.2Å; D32-T36 PolarHBondContact O-N 3.09Å; D32-T36 PolarHBondContact O-OG1 3.04Å | ||
| 33 | P | 90.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -53.8 | -33 | 174.5 | -26.6 | 35.6 | 0 | 0 | 0 | 114 | C31 C35 T36 | C31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-C35 VanDerWaalsContact C-N 3.31Å; P33-T36 PolarHBondContact O-N 2.92Å |
| 34 | E | 91.9 | Very high | 93.9 | Very high | 157 Ų | 157 | 60.2 Ų | 60.2 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -73 | -25.4 | 178.5 | -62.9 | -170.2 | 169 | 0 | 0 | 112.4 | D32 | D32-E34 PolarHBondContact O-N 3.18Å; D32-E34 PolarHBondContact OD1-N 2.94Å |
| 35 | C | 94.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 63.7 Ų | 63.7 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -102 | 21.2 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | D32 P33 C56 F58 V59 C60 | D32-C35 HydrophobicContact CB-CB 4.18Å; D32-C35 CarbonylContact O-C 3.58Å; D32-C35 PolarHBondContact O-N 3.2Å; P33-C35 VanDerWaalsContact C-N 3.31Å; C35-C56 WeakPolarHBondContact CA-SG 3.48Å; C35-C56 HydrophobicContact CB-CB 3.7Å; C35-C56 WeakPolarHBondContact CB-SG 3.08Å; C35-C56 WeakPolarHBondContact SG-CA 3.06Å; C35-C56 WeakPolarHBondContact SG-CB 3.36Å; C35-C56 CovalentContact SG-SG 2.05Å; C35-C56 PolarHBondContact SG-SG 3.41Å; C35-F58 WeakPolarHBondContact CB-O 3.31Å; C35-V59 WeakPolarHBondContact O-CA 3.47Å; C35-C60 PolarHBondContact O-N 2.97Å |
| 36 | T | 95.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.7 | 178 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | L22 V26 D32 P33 N38 C60 | L22-T36 HydrophobicContact CD1-CG2 3.94Å; L22-T36 HydrophobicContact CD2-CG2 4.33Å; L22-T36 HydrophobicContact CG-CG2 4.38Å; V26-T36 HydrophobicContact CG2-CG2 3.88Å; D32-T36 PolarHBondContact O-N 3.09Å; D32-T36 PolarHBondContact O-OG1 3.04Å; P33-T36 PolarHBondContact O-N 2.92Å; T36-N38 PolarHBondContact O-N 3.11Å; T36-C60 CarbonylContact C-O 3.2Å; T36-C60 WeakPolarHBondContact CA-O 3.32Å; T36-C60 HydrophobicContact CG2-CB 4.39Å |
| 37 | F | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 109.1 | 173.3 | -173.6 | -117.5 | 0 | 0 | 0 | 110.7 | Y39 I42 T46 F49 L50 V59 C60 M63 | F37-Y39 WeakPolarHBondContact CD1-O 3.23Å; F37-Y39 HydrophobicContact CD2-CD2 4.38Å; F37-Y39 WeakPolarHBondContact CE1-O 3.27Å; F37-Y39 AromaticContact CE2-CD2 3.96Å; F37-Y39 HydrophobicContact CE2-CD2 3.96Å; F37-Y39 HydrophobicContact CE2-CG 4.45Å; F37-Y39 HydrophobicContact CZ-CD2 4.33Å; F37-Y39 HydrophobicContact CZ-CG 4.38Å; F37-Y39 PolarHBondContact O-N 3.17Å; F37-I42 HydrophobicContact CD1-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 3.39Å; F37-I42 HydrophobicContact CZ-CD1 3.63Å; F37-T46 WeakPolarHBondContact CE2-O 3.36Å; F37-F49 WeakPolarHBondContact CD2-O 3.44Å; F37-F49 HydrophobicContact CE2-CB 4.22Å; F37-L50 HydrophobicContact CD1-CD2 4.39Å; F37-L50 HydrophobicContact CD2-CD2 3.79Å; F37-L50 HydrophobicContact CD2-CG 4.3Å; F37-L50 HydrophobicContact CE2-CD2 3.95Å; F37-L50 HydrophobicContact CE2-CG 4.11Å; F37-L50 HydrophobicContact CG-CD2 4Å; F37-L50 HydrophobicContact CZ-CD2 4.31Å; F37-V59 HydrophobicContact CB-CG1 4.37Å; F37-C60 PolarHBondContact N-O 3.06Å; F37-M63 HydrophobicContact CD1-CG 4.33Å |
| 38 | N | 95.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | trans | -97.7 | 31.1 | -172.7 | -161 | 5.6 | 0 | 0 | 0 | 113.7 | L22 T36 | L22-N38 HydrophobicContact CD2-CB 4.15Å; L22-N38 WeakPolarHBondContact CD2-OD1 3.27Å; T36-N38 PolarHBondContact O-N 3.11Å | ||
| 39 | Y | 94.9 | Very high | 94.4 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 38% | 0.376 | 34% | 0.335 | S | S | . | . | trans | -127.8 | 139.8 | 174.8 | -63.2 | -94 | 0 | 0 | 0 | 109.3 | F18 F37 T46 F49 | F18-Y39 VanDerWaalsContact CZ-C 3.45Å; F37-Y39 WeakPolarHBondContact CD1-O 3.23Å; F37-Y39 HydrophobicContact CD2-CD2 4.38Å; F37-Y39 WeakPolarHBondContact CE1-O 3.27Å; F37-Y39 AromaticContact CE2-CD2 3.96Å; F37-Y39 HydrophobicContact CE2-CD2 3.96Å; F37-Y39 HydrophobicContact CE2-CG 4.45Å; F37-Y39 HydrophobicContact CZ-CD2 4.33Å; F37-Y39 HydrophobicContact CZ-CG 4.38Å; F37-Y39 PolarHBondContact O-N 3.17Å; Y39-T46 HydrophobicContact CD1-CG2 3.75Å; Y39-T46 HydrophobicContact CG-CG2 4.07Å; Y39-F49 HydrophobicContact CD2-CB 3.81Å; Y39-F49 AromaticContact CD2-CD2 3.99Å; Y39-F49 HydrophobicContact CD2-CD2 3.99Å; Y39-F49 HydrophobicContact CD2-CG 4.21Å; Y39-F49 HydrophobicContact CE1-CD2 4.01Å; Y39-F49 HydrophobicContact CE1-CE2 4.19Å; Y39-F49 HydrophobicContact CE2-CB 3.44Å; Y39-F49 VanDerWaalsContact CE2-CB 3.44Å; Y39-F49 HydrophobicContact CE2-CD1 4.34Å; Y39-F49 AromaticContact CE2-CD2 3.41Å; Y39-F49 HydrophobicContact CE2-CD2 3.41Å; Y39-F49 VanDerWaalsContact CE2-CD2 3.41Å; Y39-F49 HydrophobicContact CE2-CE2 4.25Å; Y39-F49 AromaticContact CE2-CG 3.49Å; Y39-F49 HydrophobicContact CE2-CG 3.49Å; Y39-F49 VanDerWaalsContact CE2-CG 3.49Å; Y39-F49 AromaticContact CZ-CD2 3.41Å; Y39-F49 VanDerWaalsContact CZ-CD2 3.41Å; Y39-F49 AromaticContact CZ-CE2 3.78Å; Y39-F49 AromaticContact CZ-CG 3.85Å | ||
| 40 | S | 89.4 | Confident | 94.5 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.6 | -43.3 | -177.2 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | F18 T64 | F18-S40 VanDerWaalsContact CE2-CA 3.5Å; S40-T64 WeakPolarHBondContact O-CA 3.31Å; S40-T64 WeakPolarHBondContact O-CB 3.44Å; S40-T64 PolarHBondContact O-N 3.1Å; S40-T64 PolarHBondContact O-OG1 2.76Å |
| 41 | E | 96 | Very high | 94.4 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 29% | 0.29 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 141.2 | -173.8 | -63.3 | -175.5 | 140 | 0 | 0 | 111.7 | T43 T46 T64 N66 N68 | E41-T43 HydrophobicContact CB-CG2 4.26Å; E41-T46 VanDerWaalsContact O-CB 3.26Å; E41-T46 WeakPolarHBondContact O-CB 3.32Å; E41-T46 PolarHBondContact O-OG1 3.41Å; E41-T64 CarbonylContact C-O 3.56Å; E41-T64 WeakPolarHBondContact CA-O 3.42Å; E41-N66 PolarHBondContact OE1-ND2 3.33Å; E41-N68 PolarHBondContact OE1-ND2 2.9Å |
| 42 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -93.3 | 111.6 | 170.8 | -58.7 | -64.5 | 0 | 0 | 0 | 109.3 | F37 V47 L50 M63 T64 F65 T69 L71 L76 F80 | F37-I42 HydrophobicContact CD1-CD1 4.29Å; F37-I42 HydrophobicContact CE1-CD1 3.39Å; F37-I42 HydrophobicContact CZ-CD1 3.63Å; I42-V47 HydrophobicContact CG2-CG2 4.46Å; I42-L50 HydrophobicContact CD1-CD2 4.47Å; I42-M63 HydrophobicContact CD1-CB 4.46Å; I42-M63 HydrophobicContact CD1-CG 4.13Å; I42-M63 HydrophobicContact CD1-SD 4.13Å; I42-M63 HydrophobicContact CG1-CB 4.19Å; I42-M63 HydrophobicContact CG1-CG 4.39Å; I42-M63 HydrophobicContact CG1-SD 4.46Å; I42-T64 PolarHBondContact N-O 3.31Å; I42-F65 HydrophobicContact CB-CD1 3.97Å; I42-F65 HydrophobicContact CB-CE1 3.82Å; I42-F65 HydrophobicContact CB-CZ 4.3Å; I42-F65 HydrophobicContact CG1-CD1 4.36Å; I42-F65 HydrophobicContact CG1-CE1 3.93Å; I42-F65 HydrophobicContact CG1-CE2 4.27Å; I42-F65 HydrophobicContact CG1-CZ 3.87Å; I42-F65 HydrophobicContact CG2-CD1 4.17Å; I42-F65 HydrophobicContact CG2-CE1 3.7Å; I42-F65 HydrophobicContact CG2-CZ 4.38Å; I42-T69 WeakPolarHBondContact O-CA 3.24Å; I42-T69 WeakPolarHBondContact O-CB 3.45Å; I42-T69 WeakPolarHBondContact O-CG2 3.33Å; I42-T69 PolarHBondContact O-OG1 3.13Å; I42-L71 HydrophobicContact CG2-CD1 4.15Å; I42-L76 HydrophobicContact CG2-CD2 3.71Å; I42-F80 HydrophobicContact CD1-CZ 4.09Å; I42-F80 HydrophobicContact CG1-CZ 4.38Å; I42-F80 HydrophobicContact CG2-CE2 4.47Å; I42-F80 HydrophobicContact CG2-CZ 4.46Å | ||
| 43 | T | 98.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -143.4 | 168.5 | 179.6 | 68.3 | 0 | 0 | 0 | 0 | 109.2 | E41 K45 T46 V47 N68 D70 | E41-T43 HydrophobicContact CB-CG2 4.26Å; T43-K45 PolarHBondContact O-N 3.37Å; T43-K45 PolarHBondContact OG1-N 3.48Å; T43-T46 PolarHBondContact N-OG1 3.16Å; T43-T46 PolarHBondContact O-N 2.81Å; T43-T46 PolarHBondContact O-OG1 2.9Å; T43-T46 PolarHBondContact OG1-N 2.98Å; T43-T46 PolarHBondContact OG1-OG1 3.42Å; T43-V47 VanDerWaalsContact O-CB 3.24Å; T43-V47 WeakPolarHBondContact O-CB 3.24Å; T43-V47 VanDerWaalsContact O-CG1 3.32Å; T43-V47 WeakPolarHBondContact O-CG1 3.29Å; T43-V47 PolarHBondContact O-N 2.97Å; T43-N68 HydrophobicContact CG2-CB 4.38Å; T43-N68 WeakPolarHBondContact CG2-O 3.41Å; T43-D70 WeakPolarHBondContact CA-OD1 3.13Å |
| 44 | S | 97.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 63.7 Ų | 63.7 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.5 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | D70 | S44-D70 WeakPolarHBondContact CB-OD1 3.44Å; S44-D70 VanDerWaalsContact CB-OD2 3.27Å; S44-D70 WeakPolarHBondContact CB-OD2 3.26Å; S44-D70 PolarHBondContact N-OD1 3.44Å; S44-D70 PolarHBondContact OG-OD1 3.25Å; S44-D70 PolarHBondContact OG-OD2 2.88Å |
| 45 | K | 97.3 | Very high | 90.2 | Very high | 156 Ų | 156 | 62.9 Ų | 62.9 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -32.9 | 178 | -64.7 | 178.3 | -177.5 | 171.2 | 0 | 113.2 | T43 Q48 F49 | T43-K45 PolarHBondContact O-N 3.37Å; T43-K45 PolarHBondContact OG1-N 3.48Å; K45-Q48 PolarHBondContact O-NE2 3.19Å; K45-F49 WeakPolarHBondContact O-CE2 3.36Å |
| 46 | T | 97.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -28.3 | -171.4 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | F37 Y39 E41 T43 Q48 F49 | F37-T46 WeakPolarHBondContact CE2-O 3.36Å; Y39-T46 HydrophobicContact CD1-CG2 3.75Å; Y39-T46 HydrophobicContact CG-CG2 4.07Å; E41-T46 VanDerWaalsContact O-CB 3.26Å; E41-T46 WeakPolarHBondContact O-CB 3.32Å; E41-T46 PolarHBondContact O-OG1 3.41Å; T43-T46 PolarHBondContact N-OG1 3.16Å; T43-T46 PolarHBondContact O-N 2.81Å; T43-T46 PolarHBondContact O-OG1 2.9Å; T43-T46 PolarHBondContact OG1-N 2.98Å; T43-T46 PolarHBondContact OG1-OG1 3.42Å; T46-Q48 PolarHBondContact O-N 3.11Å; T46-F49 WeakPolarHBondContact O-CB 3.5Å; T46-F49 WeakPolarHBondContact O-CD2 3.32Å; T46-F49 PolarHBondContact O-N 3Å |
| 47 | V | 95.8 | Very high | 89 | Confident | 24 Ų | 24 | 65 Ų | 65 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -60.5 | -30.3 | -177.7 | 73.6 | 0 | 0 | 0 | 0 | 113 | I42 T43 F49 L50 L71 A79 | I42-V47 HydrophobicContact CG2-CG2 4.46Å; T43-V47 VanDerWaalsContact O-CB 3.24Å; T43-V47 WeakPolarHBondContact O-CB 3.24Å; T43-V47 VanDerWaalsContact O-CG1 3.32Å; T43-V47 WeakPolarHBondContact O-CG1 3.29Å; T43-V47 PolarHBondContact O-N 2.97Å; V47-F49 PolarHBondContact O-N 3.42Å; V47-L50 HydrophobicContact CG2-CD1 3.64Å; V47-L50 HydrophobicContact CG2-CG 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 WeakPolarHBondContact O-CG 3.39Å; V47-L50 PolarHBondContact O-N 2.05Å; V47-L50 VanDerWaalsContact O-N 3.09Å; V47-L71 HydrophobicContact CB-CD1 3.78Å; V47-L71 HydrophobicContact CG1-CD1 3.77Å; V47-L71 HydrophobicContact CG2-CD1 3.99Å; V47-A79 HydrophobicContact CG2-CB 3.34Å |
| 48 | Q | 93.1 | Very high | 88.6 | Confident | 131 Ų | 131 | 70.5 Ų | 70.5 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -65.8 | -14.1 | 175.4 | 66.3 | -175.6 | -25 | 0 | 0 | 113.7 | K45 T46 | K45-Q48 PolarHBondContact O-NE2 3.19Å; T46-Q48 PolarHBondContact O-N 3.11Å |
| 49 | F | 94.1 | Very high | 88.6 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -97.4 | 6.9 | 175.8 | -53.3 | -65.1 | 0 | 0 | 0 | 112.8 | F37 Y39 K45 T46 V47 | F37-F49 WeakPolarHBondContact CD2-O 3.44Å; F37-F49 HydrophobicContact CE2-CB 4.22Å; Y39-F49 HydrophobicContact CD2-CB 3.81Å; Y39-F49 AromaticContact CD2-CD2 3.99Å; Y39-F49 HydrophobicContact CD2-CD2 3.99Å; Y39-F49 HydrophobicContact CD2-CG 4.21Å; Y39-F49 HydrophobicContact CE1-CD2 4.01Å; Y39-F49 HydrophobicContact CE1-CE2 4.19Å; Y39-F49 HydrophobicContact CE2-CB 3.44Å; Y39-F49 VanDerWaalsContact CE2-CB 3.44Å; Y39-F49 HydrophobicContact CE2-CD1 4.34Å; Y39-F49 AromaticContact CE2-CD2 3.41Å; Y39-F49 HydrophobicContact CE2-CD2 3.41Å; Y39-F49 VanDerWaalsContact CE2-CD2 3.41Å; Y39-F49 HydrophobicContact CE2-CE2 4.25Å; Y39-F49 AromaticContact CE2-CG 3.49Å; Y39-F49 HydrophobicContact CE2-CG 3.49Å; Y39-F49 VanDerWaalsContact CE2-CG 3.49Å; Y39-F49 AromaticContact CZ-CD2 3.41Å; Y39-F49 VanDerWaalsContact CZ-CD2 3.41Å; Y39-F49 AromaticContact CZ-CE2 3.78Å; Y39-F49 AromaticContact CZ-CG 3.85Å; K45-F49 WeakPolarHBondContact O-CE2 3.36Å; T46-F49 WeakPolarHBondContact O-CB 3.5Å; T46-F49 WeakPolarHBondContact O-CD2 3.32Å; T46-F49 PolarHBondContact O-N 3Å; V47-F49 PolarHBondContact O-N 3.42Å |
| 50 | L | 92.7 | Very high | 88.6 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -57.3 | 131.5 | 167.9 | -77.7 | 171.1 | 0 | 0 | 0 | 108.8 | F37 I42 V47 N52 A79 F80 I83 | F37-L50 HydrophobicContact CD1-CD2 4.39Å; F37-L50 HydrophobicContact CD2-CD2 3.79Å; F37-L50 HydrophobicContact CD2-CG 4.3Å; F37-L50 HydrophobicContact CE2-CD2 3.95Å; F37-L50 HydrophobicContact CE2-CG 4.11Å; F37-L50 HydrophobicContact CG-CD2 4Å; F37-L50 HydrophobicContact CZ-CD2 4.31Å; I42-L50 HydrophobicContact CD1-CD2 4.47Å; V47-L50 HydrophobicContact CG2-CD1 3.64Å; V47-L50 HydrophobicContact CG2-CG 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 WeakPolarHBondContact O-CG 3.39Å; V47-L50 PolarHBondContact O-N 2.05Å; V47-L50 VanDerWaalsContact O-N 3.09Å; L50-N52 PolarHBondContact O-N 3.15Å; L50-N52 VanDerWaalsContact O-N 3.16Å; L50-A79 HydrophobicContact CD1-CB 4.13Å; L50-F80 HydrophobicContact CD1-CD1 4.06Å; L50-F80 HydrophobicContact CD1-CE1 3.66Å; L50-F80 HydrophobicContact CD1-CE2 4.47Å; L50-F80 HydrophobicContact CD1-CZ 3.9Å; L50-F80 HydrophobicContact CD2-CE1 3.81Å; L50-F80 HydrophobicContact CD2-CZ 4.36Å; L50-F80 HydrophobicContact CG-CE1 4.43Å; L50-I83 HydrophobicContact CB-CD1 4.44Å; L50-I83 HydrophobicContact CD1-CD1 4.38Å; L50-I83 HydrophobicContact CD2-CD1 4.03Å |
| 51 | P | 90.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.071 | 32% | 0.315 | C | S | . | . | trans | -56.9 | 121.9 | 175.2 | -24.8 | 34.5 | 0 | 0 | 0 | 110.5 | C56 V59 | P51-C56 HydrophobicContact CB-CB 3.81Å; P51-V59 HydrophobicContact CB-CG2 4.21Å; P51-V59 HydrophobicContact CG-CG1 4.13Å; P51-V59 HydrophobicContact CG-CG2 4.4Å | ||
| 52 | N | 76.1 | Confident | 89 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 69% | 0.69 | 31% | 0.305 | S | S | * | . | trans | -134.2 | 11.5 | -170.3 | 64.2 | -3.3 | 0 | 0 | 0 | 113.4 | L50 | L50-N52 PolarHBondContact O-N 3.15Å; L50-N52 VanDerWaalsContact O-N 3.16Å | ||
| 53 | G | 66.4 | Low | 88.9 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -73.8 | 154.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N55 C56 | G53-N55 PolarHBondContact O-N 3.26Å; G53-C56 PolarHBondContact O-N 3.41Å |
| 54 | D | 66 | Low | 88.9 | Confident | 165 Ų | 165 | 57.9 Ų | 57.9 | 88% | 0.882 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -16.7 | -178.5 | -63.5 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 55 | N | 71.8 | Confident | 88.9 | Confident | 141 Ų | 141 | 55.3 Ų | 55.3 | 75% | 0.754 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.2 | 178.3 | -62.3 | -25.7 | 0 | 0 | 0 | 114.1 | G53 V57 | G53-N55 PolarHBondContact O-N 3.26Å; N55-V57 PolarHBondContact O-N 3.11Å |
| 56 | C | 83.5 | Confident | 88.9 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | trans | -99.6 | 48.3 | -172.9 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | C35 P51 G53 F58 | C35-C56 WeakPolarHBondContact CA-SG 3.48Å; C35-C56 HydrophobicContact CB-CB 3.7Å; C35-C56 WeakPolarHBondContact CB-SG 3.08Å; C35-C56 WeakPolarHBondContact SG-CA 3.06Å; C35-C56 WeakPolarHBondContact SG-CB 3.36Å; C35-C56 CovalentContact SG-SG 2.05Å; C35-C56 PolarHBondContact SG-SG 3.41Å; P51-C56 HydrophobicContact CB-CB 3.81Å; G53-C56 PolarHBondContact O-N 3.41Å; C56-F58 PolarHBondContact O-N 2.65Å | ||
| 57 | V | 79.8 | Confident | 88.9 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -63.5 | -31.2 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 111 | N55 S84 V85 | N55-V57 PolarHBondContact O-N 3.11Å; V57-S84 WeakPolarHBondContact CG1-OG 3.34Å; V57-S84 PolarHBondContact O-N 3.33Å; V57-S84 PolarHBondContact O-OG 3.14Å; V57-V85 PolarHBondContact O-N 3.28Å |
| 58 | F | 88.3 | Confident | 89 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.4 | 175.7 | -50.2 | -82.1 | 0 | 0 | 0 | 108.8 | C35 C56 V85 Y87 | C35-F58 WeakPolarHBondContact CB-O 3.31Å; C56-F58 PolarHBondContact O-N 2.65Å; F58-V85 HydrophobicContact CD1-CB 3.68Å; F58-V85 HydrophobicContact CD1-CG1 4.17Å; F58-V85 HydrophobicContact CD1-CG2 3.73Å; F58-V85 HydrophobicContact CE1-CB 4.23Å; F58-V85 HydrophobicContact CE1-CG2 3.75Å; F58-Y87 HydrophobicContact CB-CD2 4.5Å; F58-Y87 HydrophobicContact CB-CE2 3.93Å; F58-Y87 HydrophobicContact CD1-CE2 4.02Å; F58-Y87 HydrophobicContact CG-CE2 4.4Å |
| 59 | V | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.4 | -179.7 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | C35 F37 P51 I83 V85 F86 Y87 | C35-V59 WeakPolarHBondContact O-CA 3.47Å; F37-V59 HydrophobicContact CB-CG1 4.37Å; P51-V59 HydrophobicContact CB-CG2 4.21Å; P51-V59 HydrophobicContact CG-CG1 4.13Å; P51-V59 HydrophobicContact CG-CG2 4.4Å; V59-I83 HydrophobicContact CB-CG2 3.91Å; V59-I83 HydrophobicContact CG2-CB 4.45Å; V59-I83 HydrophobicContact CG2-CD1 4Å; V59-I83 HydrophobicContact CG2-CG1 3.82Å; V59-I83 HydrophobicContact CG2-CG2 3.92Å; V59-V85 PolarHBondContact N-O 2.92Å; V59-F86 HydrophobicContact CB-CD2 4.3Å; V59-F86 HydrophobicContact CG1-CD2 4.19Å; V59-F86 HydrophobicContact CG1-CE2 4.29Å; V59-F86 CarbonylContact O-C 3.58Å; V59-F86 WeakPolarHBondContact O-CA 3.45Å; V59-F86 WeakPolarHBondContact O-CD2 3.34Å; V59-Y87 PolarHBondContact O-N 3.24Å |
| 60 | C | 95.7 | Very high | 89.4 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 147.2 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | V25 C31 C35 T36 F37 Y87 | V25-C60 HydrophobicContact CG1-CB 4.25Å; C31-C60 HydrophobicContact CB-CB 3.58Å; C31-C60 WeakPolarHBondContact CB-SG 3.29Å; C31-C60 WeakPolarHBondContact SG-CB 3.45Å; C31-C60 CovalentContact SG-SG 2.01Å; C31-C60 PolarHBondContact SG-SG 2.9Å; C35-C60 PolarHBondContact O-N 2.97Å; T36-C60 CarbonylContact C-O 3.2Å; T36-C60 WeakPolarHBondContact CA-O 3.32Å; T36-C60 HydrophobicContact CG2-CB 4.39Å; F37-C60 PolarHBondContact N-O 3.06Å; C60-Y87 CarbonylContact C-O 3.56Å; C60-Y87 WeakPolarHBondContact CA-O 3.37Å |
| 61 | G | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -168.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F86 Y87 G88 G89 | G61-F86 VanDerWaalsContact O-CZ 3.23Å; G61-F86 WeakPolarHBondContact O-CZ 3.37Å; G61-Y87 PolarHBondContact N-O 2.99Å; G61-G88 WeakPolarHBondContact O-CA 3.31Å; G61-G89 PolarHBondContact O-N 2.84Å |
| 62 | I | 96.9 | Very high | 89.9 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 105.2 | 168.7 | -55.4 | 172.5 | 0 | 0 | 0 | 106.6 | F18 N21 V25 G89 F119 | F18-I62 HydrophobicContact CE2-CB 4.21Å; N21-I62 HydrophobicContact CB-CD1 3.58Å; V25-I62 HydrophobicContact CG2-CD1 4.1Å; V25-I62 HydrophobicContact CG2-CG1 3.91Å; I62-G89 CarbonylContact C-O 3.59Å; I62-G89 WeakPolarHBondContact CA-O 3.46Å; I62-F119 HydrophobicContact CD1-CD1 4.45Å; I62-F119 HydrophobicContact CD1-CD2 3.81Å; I62-F119 HydrophobicContact CD1-CE1 4.32Å; I62-F119 HydrophobicContact CD1-CE2 3.67Å; I62-F119 HydrophobicContact CD1-CG 4.21Å; I62-F119 HydrophobicContact CD1-CZ 3.92Å; I62-F119 HydrophobicContact CG1-CD2 4.16Å; I62-F119 HydrophobicContact CG1-CE2 4.43Å |
| 63 | M | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.4 | -176.3 | -68.6 | -167.6 | -99.5 | 0 | 0 | 110.9 | F37 I42 F65 F80 F86 G89 V91 F103 | F37-M63 HydrophobicContact CD1-CG 4.33Å; I42-M63 HydrophobicContact CD1-CB 4.46Å; I42-M63 HydrophobicContact CD1-CG 4.13Å; I42-M63 HydrophobicContact CD1-SD 4.13Å; I42-M63 HydrophobicContact CG1-CB 4.19Å; I42-M63 HydrophobicContact CG1-CG 4.39Å; I42-M63 HydrophobicContact CG1-SD 4.46Å; M63-F65 HydrophobicContact CB-CE2 4.04Å; M63-F80 HydrophobicContact CE-CE1 3.97Å; M63-F80 HydrophobicContact SD-CD1 4.44Å; M63-F80 HydrophobicContact SD-CE1 3.29Å; M63-F80 WeakPolarHBondContact SD-CE1 3.2Å; M63-F80 HydrophobicContact SD-CZ 3.5Å; M63-F80 VanDerWaalsContact SD-CZ 3.5Å; M63-F86 HydrophobicContact CB-CZ 4.48Å; M63-F86 HydrophobicContact CE-CB 4.47Å; M63-F86 HydrophobicContact CE-CD1 3.83Å; M63-F86 HydrophobicContact CE-CD2 3.27Å; M63-F86 HydrophobicContact CE-CE1 3.77Å; M63-F86 HydrophobicContact CE-CE2 3.2Å; M63-F86 HydrophobicContact CE-CG 3.58Å; M63-F86 HydrophobicContact CE-CZ 3.44Å; M63-F86 VanDerWaalsContact CE-CZ 3.44Å; M63-F86 HydrophobicContact CG-CE2 4.1Å; M63-F86 HydrophobicContact CG-CZ 3.85Å; M63-F86 HydrophobicContact SD-CE2 4.35Å; M63-F86 HydrophobicContact SD-CZ 4.47Å; M63-G89 PolarHBondContact N-O 2.92Å; M63-V91 PolarHBondContact O-N 2.92Å; M63-F103 HydrophobicContact CE-CE1 4.19Å |
| 64 | T | 97.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.2 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | S40 E41 I42 N66 V91 | S40-T64 WeakPolarHBondContact O-CA 3.31Å; S40-T64 WeakPolarHBondContact O-CB 3.44Å; S40-T64 PolarHBondContact O-N 3.1Å; S40-T64 PolarHBondContact O-OG1 2.76Å; E41-T64 CarbonylContact C-O 3.56Å; E41-T64 WeakPolarHBondContact CA-O 3.42Å; I42-T64 PolarHBondContact N-O 3.31Å; T64-N66 HydrophobicContact CG2-CB 4.35Å; T64-V91 WeakPolarHBondContact CA-O 3.45Å; T64-V91 HydrophobicContact CG2-CB 4.14Å; T64-V91 HydrophobicContact CG2-CG1 4.11Å |
| 65 | F | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.8 | 168 | -58.6 | -95.6 | 0 | 0 | 0 | 107.6 | I42 M63 T69 L76 F80 I90 V91 F92 D93 T95 F97 F102 F103 | I42-F65 HydrophobicContact CB-CD1 3.97Å; I42-F65 HydrophobicContact CB-CE1 3.82Å; I42-F65 HydrophobicContact CB-CZ 4.3Å; I42-F65 HydrophobicContact CG1-CD1 4.36Å; I42-F65 HydrophobicContact CG1-CE1 3.93Å; I42-F65 HydrophobicContact CG1-CE2 4.27Å; I42-F65 HydrophobicContact CG1-CZ 3.87Å; I42-F65 HydrophobicContact CG2-CD1 4.17Å; I42-F65 HydrophobicContact CG2-CE1 3.7Å; I42-F65 HydrophobicContact CG2-CZ 4.38Å; M63-F65 HydrophobicContact CB-CE2 4.04Å; F65-T69 WeakPolarHBondContact CA-OG1 3.33Å; F65-T69 HydrophobicContact CD1-CG2 4.32Å; F65-L76 HydrophobicContact CD1-CD1 4.26Å; F65-L76 HydrophobicContact CE1-CD1 4.03Å; F65-L76 HydrophobicContact CE1-CD2 4.04Å; F65-F80 HydrophobicContact CE1-CE2 4.04Å; F65-F80 HydrophobicContact CE1-CZ 4.38Å; F65-F80 AromaticContact CZ-CE2 3.83Å; F65-F80 HydrophobicContact CZ-CE2 3.83Å; F65-F80 AromaticContact CZ-CZ 3.85Å; F65-F80 HydrophobicContact CZ-CZ 3.85Å; F65-I90 HydrophobicContact CE2-CG2 4.41Å; F65-V91 PolarHBondContact N-O 2.9Å; F65-F92 HydrophobicContact CB-CD1 3.62Å; F65-F92 HydrophobicContact CB-CE1 3.73Å; F65-F92 HydrophobicContact CD1-CE1 4.23Å; F65-F92 AromaticContact CD2-CD1 3.91Å; F65-F92 HydrophobicContact CD2-CD1 3.91Å; F65-F92 AromaticContact CD2-CE1 3.3Å; F65-F92 HydrophobicContact CD2-CE1 3.3Å; F65-F92 AromaticContact CD2-CZ 3.67Å; F65-F92 HydrophobicContact CD2-CZ 3.67Å; F65-F92 AromaticContact CE2-CE1 3.93Å; F65-F92 HydrophobicContact CE2-CE1 3.93Å; F65-F92 AromaticContact CE2-CZ 3.91Å; F65-F92 HydrophobicContact CE2-CZ 3.91Å; F65-F92 AromaticContact CG-CD1 3.93Å; F65-F92 HydrophobicContact CG-CD1 3.93Å; F65-F92 AromaticContact CG-CE1 3.49Å; F65-F92 HydrophobicContact CG-CE1 3.49Å; F65-F92 VanDerWaalsContact CG-CE1 3.49Å; F65-F92 HydrophobicContact CG-CZ 4.29Å; F65-F92 WeakPolarHBondContact O-CA 2.98Å; F65-D93 PolarHBondContact O-N 3.25Å; F65-T95 HydrophobicContact CB-CG2 3.97Å; F65-T95 VanDerWaalsContact O-CG2 3.24Å; F65-T95 WeakPolarHBondContact O-CG2 3.22Å; F65-F97 HydrophobicContact CB-CE2 4.22Å; F65-F97 HydrophobicContact CD1-CE2 4.24Å; F65-F102 HydrophobicContact CD1-CZ 4.03Å; F65-F102 AromaticContact CE1-CE2 3.73Å; F65-F102 HydrophobicContact CE1-CE2 3.73Å; F65-F102 AromaticContact CE1-CZ 3.58Å; F65-F102 HydrophobicContact CE1-CZ 3.58Å; F65-F102 HydrophobicContact CE2-CE2 4.37Å; F65-F102 HydrophobicContact CE2-CZ 4.3Å; F65-F102 AromaticContact CZ-CE2 3.6Å; F65-F102 HydrophobicContact CZ-CE2 3.6Å; F65-F102 AromaticContact CZ-CZ 3.74Å; F65-F102 HydrophobicContact CZ-CZ 3.74Å; F65-F103 HydrophobicContact CE2-CZ 4.04Å; F65-F103 HydrophobicContact CZ-CZ 4.11Å |
| 66 | N | 97.9 | Very high | 95 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -165.6 | -177.2 | 66.6 | 18.5 | 0 | 0 | 0 | 112.7 | E41 T64 N68 T69 D93 | E41-N66 PolarHBondContact OE1-ND2 3.33Å; T64-N66 HydrophobicContact CG2-CB 4.35Å; N66-N68 PolarHBondContact O-N 2.87Å; N66-N68 VanDerWaalsContact O-N 3.11Å; N66-N68 WeakPolarHBondContact OD1-CA 3.41Å; N66-N68 VanDerWaalsContact OD1-CB 3.23Å; N66-N68 WeakPolarHBondContact OD1-CB 3.32Å; N66-N68 PolarHBondContact OD1-N 3.32Å; N66-T69 PolarHBondContact N-OG1 3.38Å; N66-T69 VanDerWaalsContact N-OG1 3.1Å; N66-T69 VanDerWaalsContact O-CB 3.31Å; N66-T69 WeakPolarHBondContact O-CB 3.47Å; N66-T69 PolarHBondContact O-N 3.02Å; N66-T69 PolarHBondContact O-OG1 2.56Å; N66-D93 WeakPolarHBondContact CA-O 3.28Å; N66-D93 WeakPolarHBondContact CB-O 3.17Å |
| 67 | A | 97.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N94 | A67-N94 PolarHBondContact N-O 3.46Š|
| 68 | N | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.4 | 175.6 | -57.9 | -38.4 | 0 | 0 | 0 | 112.9 | E41 T43 N66 D70 | E41-N68 PolarHBondContact OE1-ND2 2.9Å; T43-N68 HydrophobicContact CG2-CB 4.38Å; T43-N68 WeakPolarHBondContact CG2-O 3.41Å; N66-N68 PolarHBondContact O-N 2.87Å; N66-N68 VanDerWaalsContact O-N 3.11Å; N66-N68 WeakPolarHBondContact OD1-CA 3.41Å; N66-N68 VanDerWaalsContact OD1-CB 3.23Å; N66-N68 WeakPolarHBondContact OD1-CB 3.32Å; N66-N68 PolarHBondContact OD1-N 3.32Å; N68-D70 PolarHBondContact O-N 3.21Å |
| 69 | T | 97.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | trans | -69.2 | 104.4 | 176.7 | -60 | 0 | 0 | 0 | 0 | 110 | I42 F65 N66 L71 F97 | I42-T69 WeakPolarHBondContact O-CA 3.24Å; I42-T69 WeakPolarHBondContact O-CB 3.45Å; I42-T69 WeakPolarHBondContact O-CG2 3.33Å; I42-T69 PolarHBondContact O-OG1 3.13Å; F65-T69 WeakPolarHBondContact CA-OG1 3.33Å; F65-T69 HydrophobicContact CD1-CG2 4.32Å; N66-T69 PolarHBondContact N-OG1 3.38Å; N66-T69 VanDerWaalsContact N-OG1 3.1Å; N66-T69 VanDerWaalsContact O-CB 3.31Å; N66-T69 WeakPolarHBondContact O-CB 3.47Å; N66-T69 PolarHBondContact O-N 3.02Å; N66-T69 PolarHBondContact O-OG1 2.56Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 HydrophobicContact CG2-CB 4.32Å; T69-F97 HydrophobicContact CG2-CE2 4.41Å; T69-F97 HydrophobicContact CG2-CZ 3.89Å | ||
| 70 | D | 97.6 | Very high | 96.5 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | trans | -95.6 | 18.2 | -177.5 | 63.5 | -24.6 | 0 | 0 | 0 | 113.3 | T43 S44 N68 | T43-D70 WeakPolarHBondContact CA-OD1 3.13Å; S44-D70 WeakPolarHBondContact CB-OD1 3.44Å; S44-D70 VanDerWaalsContact CB-OD2 3.27Å; S44-D70 WeakPolarHBondContact CB-OD2 3.26Å; S44-D70 PolarHBondContact N-OD1 3.44Å; S44-D70 PolarHBondContact OG-OD1 3.25Å; S44-D70 PolarHBondContact OG-OD2 2.88Å; N68-D70 PolarHBondContact O-N 3.21Å | ||
| 71 | L | 97.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | trans | -106.9 | 135.2 | -177.2 | -63.6 | 169.7 | 0 | 0 | 0 | 111.1 | I42 V47 T69 Q75 L76 | I42-L71 HydrophobicContact CG2-CD1 4.15Å; V47-L71 HydrophobicContact CB-CD1 3.78Å; V47-L71 HydrophobicContact CG1-CD1 3.77Å; V47-L71 HydrophobicContact CG2-CD1 3.99Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 HydrophobicContact CG2-CB 4.32Å; L71-Q75 HydrophobicContact CB-CB 4.34Å; L71-Q75 HydrophobicContact CD2-CB 4.09Å; L71-L76 HydrophobicContact CB-CD2 3.72Å; L71-L76 HydrophobicContact CB-CG 3.9Å; L71-L76 HydrophobicContact CD1-CD2 3.6Å; L71-L76 HydrophobicContact CG-CD2 4.32Å | ||
| 72 | S | 96.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | trans | -72.1 | 160.1 | 170.6 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | A74 Q75 L76 | S72-A74 PolarHBondContact O-N 3.31Å; S72-Q75 PolarHBondContact O-N 2.8Å; S72-Q75 WeakPolarHBondContact OG-CG 3.42Å; S72-Q75 PolarHBondContact OG-N 3.42Å; S72-Q75 PolarHBondContact OG-OE1 3.44Å; S72-L76 WeakPolarHBondContact O-CG 3.02Å; S72-L76 PolarHBondContact O-N 3.22Å | ||
| 73 | V | 95.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.5 | -39.8 | 173 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | L76 T77 F97 F102 | V73-L76 PolarHBondContact O-N 2.01Å; V73-T77 WeakPolarHBondContact O-CB 3.39Å; V73-T77 PolarHBondContact O-N 2.94Å; V73-T77 PolarHBondContact O-OG1 2.8Å; V73-F97 HydrophobicContact CG2-CD1 4.28Å; V73-F102 HydrophobicContact CG1-CB 4.19Å |
| 74 | A | 96.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S72 T77 K78 | S72-A74 PolarHBondContact O-N 3.31Å; A74-T77 PolarHBondContact O-N 2.84Å; A74-K78 PolarHBondContact O-N 2.86Å; A74-K78 VanDerWaalsContact O-N 3.09Å |
| 75 | Q | 97.3 | Very high | 94.5 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 175.9 | -72.1 | 164.7 | -64 | 0 | 0 | 111.6 | L71 S72 K78 A79 | L71-Q75 HydrophobicContact CB-CB 4.34Å; L71-Q75 HydrophobicContact CD2-CB 4.09Å; S72-Q75 PolarHBondContact O-N 2.8Å; S72-Q75 WeakPolarHBondContact OG-CG 3.42Å; S72-Q75 PolarHBondContact OG-N 3.42Å; S72-Q75 PolarHBondContact OG-OE1 3.44Å; Q75-K78 PolarHBondContact O-N 2.98Å; Q75-A79 WeakPolarHBondContact O-CB 3.48Å; Q75-A79 PolarHBondContact O-N 3.41Å |
| 76 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174 | -65.2 | 175.8 | 0 | 0 | 0 | 111.2 | I42 F65 L71 S72 V73 K78 A79 F80 F97 F102 | I42-L76 HydrophobicContact CG2-CD2 3.71Å; F65-L76 HydrophobicContact CD1-CD1 4.26Å; F65-L76 HydrophobicContact CE1-CD1 4.03Å; F65-L76 HydrophobicContact CE1-CD2 4.04Å; L71-L76 HydrophobicContact CB-CD2 3.72Å; L71-L76 HydrophobicContact CB-CG 3.9Å; L71-L76 HydrophobicContact CD1-CD2 3.6Å; L71-L76 HydrophobicContact CG-CD2 4.32Å; S72-L76 WeakPolarHBondContact O-CG 3.02Å; S72-L76 PolarHBondContact O-N 3.22Å; V73-L76 PolarHBondContact O-N 2.01Å; L76-K78 PolarHBondContact O-N 2.95Å; L76-A79 PolarHBondContact O-N 3.03Å; L76-F80 HydrophobicContact CB-CD2 4.3Å; L76-F80 HydrophobicContact CB-CE2 4.49Å; L76-F80 HydrophobicContact CD2-CE2 4.08Å; L76-F80 VanDerWaalsContact O-CD2 3.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.3Å; L76-F80 PolarHBondContact O-N 2.85Å; L76-F97 HydrophobicContact CD1-CE1 4.19Å; L76-F97 HydrophobicContact CD1-CE2 4.3Å; L76-F97 HydrophobicContact CD1-CZ 3.61Å; L76-F102 HydrophobicContact CB-CB 3.83Å; L76-F102 HydrophobicContact CB-CD1 4.15Å; L76-F102 HydrophobicContact CB-CD2 3.92Å; L76-F102 HydrophobicContact CB-CG 3.71Å; L76-F102 HydrophobicContact CD1-CD1 3.8Å; L76-F102 HydrophobicContact CD1-CD2 4.41Å; L76-F102 HydrophobicContact CD1-CE1 3.67Å; L76-F102 HydrophobicContact CD1-CE2 4.32Å; L76-F102 HydrophobicContact CD1-CG 4.17Å; L76-F102 HydrophobicContact CD1-CZ 3.94Å |
| 77 | T | 95.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 176.9 | -57 | 0 | 0 | 0 | 0 | 110.8 | V73 A74 E81 F102 | V73-T77 WeakPolarHBondContact O-CB 3.39Å; V73-T77 PolarHBondContact O-N 2.94Å; V73-T77 PolarHBondContact O-OG1 2.8Å; A74-T77 PolarHBondContact O-N 2.84Å; T77-E81 PolarHBondContact O-N 3.22Å; T77-F102 WeakPolarHBondContact CA-O 3.23Å; T77-F102 WeakPolarHBondContact OG1-CB 3.03Å |
| 78 | K | 94.5 | Very high | 94.1 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.7 | -40.2 | 176.7 | -175.6 | 57.7 | -177.8 | 168.3 | 0 | 112.3 | A74 Q75 L76 E81 | A74-K78 PolarHBondContact O-N 2.86Å; A74-K78 VanDerWaalsContact O-N 3.09Å; Q75-K78 PolarHBondContact O-N 2.98Å; L76-K78 PolarHBondContact O-N 2.95Å; K78-E81 VanDerWaalsContact CD-OE2 3.29Å; K78-E81 WeakPolarHBondContact CD-OE2 3.38Å; K78-E81 WeakPolarHBondContact CE-OE1 3.45Å; K78-E81 IonicContact NZ-OE1 2.68Å; K78-E81 PolarHBondContact NZ-OE1 3.28Å; K78-E81 IonicContact NZ-OE2 2.74Å; K78-E81 PolarHBondContact NZ-OE2 2.9Å; K78-E81 WeakPolarHBondContact O-CG 3.23Å |
| 79 | A | 94.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 42 Ų | 42 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.7 | -35.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V47 L50 Q75 L76 | V47-A79 HydrophobicContact CG2-CB 3.34Å; L50-A79 HydrophobicContact CD1-CB 4.13Å; Q75-A79 WeakPolarHBondContact O-CB 3.48Å; Q75-A79 PolarHBondContact O-N 3.41Å; L76-A79 PolarHBondContact O-N 3.03Å |
| 80 | F | 92.6 | Very high | 94 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0 | -177.7 | -73.5 | -71.1 | 0 | 0 | 0 | 113.9 | I42 L50 M63 F65 L76 T82 I83 F102 F103 P104 | I42-F80 HydrophobicContact CD1-CZ 4.09Å; I42-F80 HydrophobicContact CG1-CZ 4.38Å; I42-F80 HydrophobicContact CG2-CE2 4.47Å; I42-F80 HydrophobicContact CG2-CZ 4.46Å; L50-F80 HydrophobicContact CD1-CD1 4.06Å; L50-F80 HydrophobicContact CD1-CE1 3.66Å; L50-F80 HydrophobicContact CD1-CE2 4.47Å; L50-F80 HydrophobicContact CD1-CZ 3.9Å; L50-F80 HydrophobicContact CD2-CE1 3.81Å; L50-F80 HydrophobicContact CD2-CZ 4.36Å; L50-F80 HydrophobicContact CG-CE1 4.43Å; M63-F80 HydrophobicContact CE-CE1 3.97Å; M63-F80 HydrophobicContact SD-CD1 4.44Å; M63-F80 HydrophobicContact SD-CE1 3.29Å; M63-F80 WeakPolarHBondContact SD-CE1 3.2Å; M63-F80 HydrophobicContact SD-CZ 3.5Å; M63-F80 VanDerWaalsContact SD-CZ 3.5Å; F65-F80 HydrophobicContact CE1-CE2 4.04Å; F65-F80 HydrophobicContact CE1-CZ 4.38Å; F65-F80 AromaticContact CZ-CE2 3.83Å; F65-F80 HydrophobicContact CZ-CE2 3.83Å; F65-F80 AromaticContact CZ-CZ 3.85Å; F65-F80 HydrophobicContact CZ-CZ 3.85Å; L76-F80 HydrophobicContact CB-CD2 4.3Å; L76-F80 HydrophobicContact CB-CE2 4.49Å; L76-F80 HydrophobicContact CD2-CE2 4.08Å; L76-F80 VanDerWaalsContact O-CD2 3.23Å; L76-F80 WeakPolarHBondContact O-CD2 3.3Å; L76-F80 PolarHBondContact O-N 2.85Å; F80-T82 PolarHBondContact O-N 3.2Å; F80-I83 HydrophobicContact CD1-CD1 3.74Å; F80-I83 HydrophobicContact CE1-CD1 4.18Å; F80-I83 PolarHBondContact O-N 3.24Å; F80-F102 HydrophobicContact CD2-CD2 4.01Å; F80-F102 HydrophobicContact CD2-CE2 4.32Å; F80-F102 HydrophobicContact CE2-CD2 4.37Å; F80-F102 HydrophobicContact CE2-CE2 4.25Å; F80-F103 HydrophobicContact CD1-CE1 4.45Å; F80-P104 WeakPolarHBondContact O-CD 3.34Å; F80-P104 VanDerWaalsContact O-CG 3.25Å; F80-P104 WeakPolarHBondContact O-CG 3.37Å |
| 81 | E | 90.8 | Very high | 94 | Very high | 101 Ų | 101 | 38.1 Ų | 38.1 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.1 | -165.6 | 74.8 | -174.3 | 167.2 | 0 | 0 | 115 | T77 K78 | T77-E81 PolarHBondContact O-N 3.22Å; K78-E81 VanDerWaalsContact CD-OE2 3.29Å; K78-E81 WeakPolarHBondContact CD-OE2 3.38Å; K78-E81 WeakPolarHBondContact CE-OE1 3.45Å; K78-E81 IonicContact NZ-OE1 2.68Å; K78-E81 PolarHBondContact NZ-OE1 3.28Å; K78-E81 IonicContact NZ-OE2 2.74Å; K78-E81 PolarHBondContact NZ-OE2 2.9Å; K78-E81 WeakPolarHBondContact O-CG 3.23Å |
| 82 | T | 86.6 | Confident | 94.1 | Very high | 76 Ų | 76 | 37.5 Ų | 37.5 | 47% | 0.466 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -8.6 | -178.2 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | F80 S84 | F80-T82 PolarHBondContact O-N 3.2Å; T82-S84 PolarHBondContact O-N 2.92Å |
| 83 | I | 88.9 | Confident | 94.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -91.5 | 93.7 | -173 | -60.4 | 174.9 | 0 | 0 | 0 | 109.1 | L50 V59 F80 P104 | L50-I83 HydrophobicContact CB-CD1 4.44Å; L50-I83 HydrophobicContact CD1-CD1 4.38Å; L50-I83 HydrophobicContact CD2-CD1 4.03Å; V59-I83 HydrophobicContact CB-CG2 3.91Å; V59-I83 HydrophobicContact CG2-CB 4.45Å; V59-I83 HydrophobicContact CG2-CD1 4Å; V59-I83 HydrophobicContact CG2-CG1 3.82Å; V59-I83 HydrophobicContact CG2-CG2 3.92Å; F80-I83 HydrophobicContact CD1-CD1 3.74Å; F80-I83 HydrophobicContact CE1-CD1 4.18Å; F80-I83 PolarHBondContact O-N 3.24Å; I83-P104 WeakPolarHBondContact O-CG 3.28Å | ||
| 84 | S | 83.6 | Confident | 94.3 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | trans | -84.2 | -30.5 | -175.9 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | V57 T82 E113 | V57-S84 WeakPolarHBondContact CG1-OG 3.34Å; V57-S84 PolarHBondContact O-N 3.33Å; V57-S84 PolarHBondContact O-OG 3.14Å; T82-S84 PolarHBondContact O-N 2.92Å; S84-E113 PolarHBondContact O-N 2.8Å | ||
| 85 | V | 91.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.9 | 179.7 | -170 | 0 | 0 | 0 | 0 | 110 | V57 F58 V59 Y87 E113 L141 | V57-V85 PolarHBondContact O-N 3.28Å; F58-V85 HydrophobicContact CD1-CB 3.68Å; F58-V85 HydrophobicContact CD1-CG1 4.17Å; F58-V85 HydrophobicContact CD1-CG2 3.73Å; F58-V85 HydrophobicContact CE1-CB 4.23Å; F58-V85 HydrophobicContact CE1-CG2 3.75Å; V59-V85 PolarHBondContact N-O 2.92Å; V85-Y87 HydrophobicContact CB-CE2 4.24Å; V85-Y87 HydrophobicContact CG1-CD2 4.21Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-E113 WeakPolarHBondContact CA-O 3.28Å; V85-E113 HydrophobicContact CB-CB 4.31Å; V85-E113 HydrophobicContact CG1-CB 4.06Å; V85-E113 HydrophobicContact CG2-CB 4.02Å; V85-L141 HydrophobicContact CG1-CD1 4.3Å |
| 86 | F | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.6 | 176.5 | -176.5 | -108.6 | 0 | 0 | 0 | 112.5 | V59 G61 M63 G89 I90 F112 E113 F114 C115 | V59-F86 HydrophobicContact CB-CD2 4.3Å; V59-F86 HydrophobicContact CG1-CD2 4.19Å; V59-F86 HydrophobicContact CG1-CE2 4.29Å; V59-F86 CarbonylContact O-C 3.58Å; V59-F86 WeakPolarHBondContact O-CA 3.45Å; V59-F86 WeakPolarHBondContact O-CD2 3.34Å; G61-F86 VanDerWaalsContact O-CZ 3.23Å; G61-F86 WeakPolarHBondContact O-CZ 3.37Å; M63-F86 HydrophobicContact CB-CZ 4.48Å; M63-F86 HydrophobicContact CE-CB 4.47Å; M63-F86 HydrophobicContact CE-CD1 3.83Å; M63-F86 HydrophobicContact CE-CD2 3.27Å; M63-F86 HydrophobicContact CE-CE1 3.77Å; M63-F86 HydrophobicContact CE-CE2 3.2Å; M63-F86 HydrophobicContact CE-CG 3.58Å; M63-F86 HydrophobicContact CE-CZ 3.44Å; M63-F86 VanDerWaalsContact CE-CZ 3.44Å; M63-F86 HydrophobicContact CG-CE2 4.1Å; M63-F86 HydrophobicContact CG-CZ 3.85Å; M63-F86 HydrophobicContact SD-CE2 4.35Å; M63-F86 HydrophobicContact SD-CZ 4.47Å; F86-G89 WeakPolarHBondContact CE1-O 3.39Å; F86-I90 HydrophobicContact CD1-CD1 3.9Å; F86-I90 HydrophobicContact CD1-CG1 3.77Å; F86-I90 HydrophobicContact CE1-CD1 4.28Å; F86-I90 HydrophobicContact CE1-CG1 3.63Å; F86-F112 HydrophobicContact CB-CE1 4.3Å; F86-F112 HydrophobicContact CB-CE2 4.33Å; F86-F112 HydrophobicContact CB-CZ 3.57Å; F86-F112 HydrophobicContact CG-CZ 4.49Å; F86-E113 PolarHBondContact N-O 3.09Å; F86-F114 AromaticContact CD1-CD2 3.75Å; F86-F114 HydrophobicContact CD1-CD2 3.75Å; F86-F114 AromaticContact CD1-CE2 3.67Å; F86-F114 HydrophobicContact CD1-CE2 3.67Å; F86-F114 HydrophobicContact CE1-CE2 4.06Å; F86-C115 PolarHBondContact O-N 2.89Å |
| 87 | Y | 95.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.8 | 178 | -63.6 | -99.9 | 0 | 0 | 0 | 110.5 | H29 F58 V59 C60 G61 V85 C115 | H29-Y87 HydrophobicContact CB-CD1 4.07Å; H29-Y87 HydrophobicContact CB-CG 4.42Å; H29-Y87 AromaticContact CG-CD1 3.86Å; H29-Y87 AromaticContact ND1-CD1 3.45Å; H29-Y87 WeakPolarHBondContact ND1-CD1 3.32Å; F58-Y87 HydrophobicContact CB-CD2 4.5Å; F58-Y87 HydrophobicContact CB-CE2 3.93Å; F58-Y87 HydrophobicContact CD1-CE2 4.02Å; F58-Y87 HydrophobicContact CG-CE2 4.4Å; V59-Y87 PolarHBondContact O-N 3.24Å; C60-Y87 CarbonylContact C-O 3.56Å; C60-Y87 WeakPolarHBondContact CA-O 3.37Å; G61-Y87 PolarHBondContact N-O 2.99Å; V85-Y87 HydrophobicContact CB-CE2 4.24Å; V85-Y87 HydrophobicContact CG1-CD2 4.21Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; Y87-C115 HydrophobicContact CD1-CB 3.21Å; Y87-C115 WeakPolarHBondContact CD1-SG 3.14Å; Y87-C115 HydrophobicContact CE1-CB 3.63Å; Y87-C115 WeakPolarHBondContact CE1-SG 3.44Å; Y87-C115 HydrophobicContact CG-CB 3.82Å |
| 88 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.5 | -120.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G61 F114 C115 T118 | G61-G88 WeakPolarHBondContact O-CA 3.31Å; G88-F114 WeakPolarHBondContact O-CE2 3.45Å; G88-C115 PolarHBondContact N-O 3.03Å; G88-T118 WeakPolarHBondContact CA-OG1 3.13Å |
| 89 | G | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | G61 I62 M63 F86 G120 | G61-G89 PolarHBondContact O-N 2.84Å; I62-G89 CarbonylContact C-O 3.59Å; I62-G89 WeakPolarHBondContact CA-O 3.46Å; M63-G89 PolarHBondContact N-O 2.92Å; F86-G89 WeakPolarHBondContact CE1-O 3.39Å; G89-G120 WeakPolarHBondContact CA-O 3.31Å |
| 90 | I | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126 | 173.2 | -57.8 | 176.7 | 0 | 0 | 0 | 108.7 | F65 F86 F92 F103 F112 F114 G120 L121 T122 | F65-I90 HydrophobicContact CE2-CG2 4.41Å; F86-I90 HydrophobicContact CD1-CD1 3.9Å; F86-I90 HydrophobicContact CD1-CG1 3.77Å; F86-I90 HydrophobicContact CE1-CD1 4.28Å; F86-I90 HydrophobicContact CE1-CG1 3.63Å; I90-F92 HydrophobicContact CG2-CD2 4.05Å; I90-F92 HydrophobicContact CG2-CE2 3.34Å; I90-F92 HydrophobicContact CG2-CZ 3.82Å; I90-F103 HydrophobicContact CD1-CZ 4.16Å; I90-F103 HydrophobicContact CG2-CZ 4.31Å; I90-F112 HydrophobicContact CD1-CE1 3.87Å; I90-F112 HydrophobicContact CD1-CZ 4.5Å; I90-F114 HydrophobicContact CB-CE1 4.49Å; I90-F114 HydrophobicContact CB-CZ 4.34Å; I90-F114 HydrophobicContact CD1-CD1 4.11Å; I90-F114 HydrophobicContact CD1-CD2 4.1Å; I90-F114 HydrophobicContact CD1-CE1 4.08Å; I90-F114 HydrophobicContact CD1-CE2 4.1Å; I90-F114 HydrophobicContact CD1-CG 4.14Å; I90-F114 HydrophobicContact CD1-CZ 4.09Å; I90-F114 HydrophobicContact CG1-CE1 4.22Å; I90-F114 HydrophobicContact CG1-CE2 4.02Å; I90-F114 HydrophobicContact CG1-CZ 3.86Å; I90-G120 PolarHBondContact N-O 3.17Å; I90-L121 HydrophobicContact CB-CD1 4.08Å; I90-L121 HydrophobicContact CG2-CD1 4.1Å; I90-L121 WeakPolarHBondContact O-CA 3.39Å; I90-T122 PolarHBondContact O-N 3.49Å |
| 91 | V | 97.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 19% | 0.188 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.4 | -176.8 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | M63 T64 F65 D93 T122 | M63-V91 PolarHBondContact O-N 2.92Å; T64-V91 WeakPolarHBondContact CA-O 3.45Å; T64-V91 HydrophobicContact CG2-CB 4.14Å; T64-V91 HydrophobicContact CG2-CG1 4.11Å; F65-V91 PolarHBondContact N-O 2.9Å; V91-D93 HydrophobicContact CG1-CB 4.16Å; V91-T122 CarbonylContact C-O 3.58Å; V91-T122 WeakPolarHBondContact CA-O 3.1Å; V91-T122 HydrophobicContact CG1-CG2 4.18Å |
| 92 | F | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 98 | 169.3 | -67 | -76.6 | 0 | 0 | 0 | 108.5 | F65 I90 T95 I100 F102 F103 L121 T122 V123 V124 N126 | F65-F92 HydrophobicContact CB-CD1 3.62Å; F65-F92 HydrophobicContact CB-CE1 3.73Å; F65-F92 HydrophobicContact CD1-CE1 4.23Å; F65-F92 AromaticContact CD2-CD1 3.91Å; F65-F92 HydrophobicContact CD2-CD1 3.91Å; F65-F92 AromaticContact CD2-CE1 3.3Å; F65-F92 HydrophobicContact CD2-CE1 3.3Å; F65-F92 AromaticContact CD2-CZ 3.67Å; F65-F92 HydrophobicContact CD2-CZ 3.67Å; F65-F92 AromaticContact CE2-CE1 3.93Å; F65-F92 HydrophobicContact CE2-CE1 3.93Å; F65-F92 AromaticContact CE2-CZ 3.91Å; F65-F92 HydrophobicContact CE2-CZ 3.91Å; F65-F92 AromaticContact CG-CD1 3.93Å; F65-F92 HydrophobicContact CG-CD1 3.93Å; F65-F92 AromaticContact CG-CE1 3.49Å; F65-F92 HydrophobicContact CG-CE1 3.49Å; F65-F92 VanDerWaalsContact CG-CE1 3.49Å; F65-F92 HydrophobicContact CG-CZ 4.29Å; F65-F92 WeakPolarHBondContact O-CA 2.98Å; I90-F92 HydrophobicContact CG2-CD2 4.05Å; I90-F92 HydrophobicContact CG2-CE2 3.34Å; I90-F92 HydrophobicContact CG2-CZ 3.82Å; F92-T95 HydrophobicContact CB-CG2 4.4Å; F92-T95 HydrophobicContact CD1-CG2 4.24Å; F92-I100 HydrophobicContact CD1-CD1 3.76Å; F92-I100 HydrophobicContact CD1-CG2 4.31Å; F92-I100 HydrophobicContact CD2-CD1 3.89Å; F92-I100 HydrophobicContact CE1-CD1 3.88Å; F92-I100 HydrophobicContact CE1-CG1 4.36Å; F92-I100 HydrophobicContact CE1-CG2 3.41Å; F92-I100 VanDerWaalsContact CE1-CG2 3.41Å; F92-I100 HydrophobicContact CE2-CD1 3.95Å; F92-I100 HydrophobicContact CE2-CG2 3.93Å; F92-I100 HydrophobicContact CG-CD1 3.8Å; F92-I100 HydrophobicContact CZ-CB 4.48Å; F92-I100 HydrophobicContact CZ-CD1 3.99Å; F92-I100 HydrophobicContact CZ-CG2 3.19Å; F92-F102 HydrophobicContact CE1-CE1 4.41Å; F92-F102 AromaticContact CE1-CZ 3.81Å; F92-F102 HydrophobicContact CE1-CZ 3.81Å; F92-F102 AromaticContact CZ-CZ 3.99Å; F92-F102 HydrophobicContact CZ-CZ 3.99Å; F92-F103 AromaticContact CZ-CE2 3.93Å; F92-F103 HydrophobicContact CZ-CE2 3.93Å; F92-F103 HydrophobicContact CZ-CZ 4.28Å; F92-L121 HydrophobicContact CD2-CD1 4.18Å; F92-L121 HydrophobicContact CE2-CD1 4.22Å; F92-T122 PolarHBondContact N-O 2.86Å; F92-V123 HydrophobicContact CB-CG1 4.32Å; F92-V123 HydrophobicContact CB-CG2 4.48Å; F92-V123 HydrophobicContact CD2-CG2 4.15Å; F92-V123 CarbonylContact O-C 3.52Å; F92-V123 WeakPolarHBondContact O-CA 3.48Å; F92-V124 PolarHBondContact O-N 3.02Å; F92-N126 PolarHBondContact O-ND2 2.96Å |
| 93 | D | 98.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.1 | -176.9 | 179.7 | 17.1 | 0 | 0 | 0 | 111.1 | F65 N66 V91 T95 V124 N125 | F65-D93 PolarHBondContact O-N 3.25Å; N66-D93 WeakPolarHBondContact CA-O 3.28Å; N66-D93 WeakPolarHBondContact CB-O 3.17Å; V91-D93 HydrophobicContact CG1-CB 4.16Å; D93-T95 VanDerWaalsContact C-N 3.28Å; D93-T95 PolarHBondContact O-N 2.84Å; D93-V124 WeakPolarHBondContact CA-O 2.99Å; D93-V124 HydrophobicContact CB-CG2 3.8Å; D93-V124 WeakPolarHBondContact OD1-CG2 3.27Å; D93-N125 PolarHBondContact OD1-ND2 2.77Å |
| 94 | N | 98.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 31.3 Ų | 31.3 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 55.9 | 42.5 | 175.8 | -169.9 | 40.3 | 0 | 0 | 0 | 112.9 | A67 V124 N125 | A67-N94 PolarHBondContact N-O 3.46Å; N94-V124 PolarHBondContact N-O 2.85Å; N94-N125 WeakPolarHBondContact CA-O 3.41Å; N94-N125 HydrophobicContact CB-CB 4.33Å |
| 95 | T | 97.6 | Very high | 95 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -81.4 | 159.9 | 174.9 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | F65 F92 D93 F97 N126 | F65-T95 HydrophobicContact CB-CG2 3.97Å; F65-T95 VanDerWaalsContact O-CG2 3.24Å; F65-T95 WeakPolarHBondContact O-CG2 3.22Å; F92-T95 HydrophobicContact CB-CG2 4.4Å; F92-T95 HydrophobicContact CD1-CG2 4.24Å; D93-T95 VanDerWaalsContact C-N 3.28Å; D93-T95 PolarHBondContact O-N 2.84Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 HydrophobicContact CG2-CD2 3.91Å; T95-F97 HydrophobicContact CG2-CE2 4.17Å; T95-F97 PolarHBondContact OG1-N 3.11Å; T95-N126 VanDerWaalsContact CB-OD1 3.29Å; T95-N126 WeakPolarHBondContact CB-OD1 3.31Å; T95-N126 WeakPolarHBondContact CG2-OD1 3.47Å; T95-N126 PolarHBondContact N-OD1 2.96Å; T95-N126 PolarHBondContact OG1-OD1 2.83Å | ||
| 96 | N | 96.1 | Very high | 94.7 | Very high | 125 Ų | 125 | 36.3 Ų | 36.3 | 67% | 0.668 | 19% | 0.191 | S | C | * | . | trans | -94.7 | 15.1 | 171 | -162.4 | 29.5 | 0 | 0 | 0 | 113 | H128 | N96-H128 PolarHBondContact OD1-CD2 3.4Š| ||
| 97 | F | 96.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | trans | -75.8 | 142.8 | -177.4 | -65 | -48 | 0 | 0 | 0 | 112 | F65 T69 V73 L76 T95 F102 H128 L129 | F65-F97 HydrophobicContact CB-CE2 4.22Å; F65-F97 HydrophobicContact CD1-CE2 4.24Å; T69-F97 HydrophobicContact CG2-CE2 4.41Å; T69-F97 HydrophobicContact CG2-CZ 3.89Å; V73-F97 HydrophobicContact CG2-CD1 4.28Å; L76-F97 HydrophobicContact CD1-CE1 4.19Å; L76-F97 HydrophobicContact CD1-CE2 4.3Å; L76-F97 HydrophobicContact CD1-CZ 3.61Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 HydrophobicContact CG2-CD2 3.91Å; T95-F97 HydrophobicContact CG2-CE2 4.17Å; T95-F97 PolarHBondContact OG1-N 3.11Å; F97-F102 HydrophobicContact CE2-CE1 4.44Å; F97-H128 CarbonylContact O-C 3.49Å; F97-H128 VanDerWaalsContact O-C 3.3Å; F97-L129 WeakPolarHBondContact O-CA 3.06Å; F97-L129 PolarHBondContact O-N 3.42Å; F97-L129 VanDerWaalsContact O-N 3.15Å | ||
| 98 | T | 96.1 | Very high | 93.5 | Very high | 75 Ų | 75 | 54 Ų | 54 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -93.8 | -24.9 | 167.8 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | H128 T130 | T98-H128 WeakPolarHBondContact CA-O 3.05Å; T98-H128 HydrophobicContact CG2-CB 4.23Å; T98-T130 PolarHBondContact O-N 3.42Å; T98-T130 PolarHBondContact O-OG1 3.4Å |
| 99 | N | 94.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | trans | -148.6 | 163.3 | 177.5 | 69.4 | 79.9 | 0 | 0 | 0 | 109.9 | T101 D131 | N99-T101 PolarHBondContact OD1-N 3.34Å; N99-T101 PolarHBondContact OD1-OG1 2.97Å; N99-T101 VanDerWaalsContact OD1-OG1 3.08Å; N99-D131 HydrophobicContact CB-CB 4.13Å | ||
| 100 | I | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -128.3 | 36.3 | -175 | -45.9 | 177.8 | 0 | 0 | 0 | 109.8 | F92 F102 F103 L129 F134 F135 | F92-I100 HydrophobicContact CD1-CD1 3.76Å; F92-I100 HydrophobicContact CD1-CG2 4.31Å; F92-I100 HydrophobicContact CD2-CD1 3.89Å; F92-I100 HydrophobicContact CE1-CD1 3.88Å; F92-I100 HydrophobicContact CE1-CG1 4.36Å; F92-I100 HydrophobicContact CE1-CG2 3.41Å; F92-I100 VanDerWaalsContact CE1-CG2 3.41Å; F92-I100 HydrophobicContact CE2-CD1 3.95Å; F92-I100 HydrophobicContact CE2-CG2 3.93Å; F92-I100 HydrophobicContact CG-CD1 3.8Å; F92-I100 HydrophobicContact CZ-CB 4.48Å; F92-I100 HydrophobicContact CZ-CD1 3.99Å; F92-I100 HydrophobicContact CZ-CG2 3.19Å; I100-F102 HydrophobicContact CB-CE1 4.09Å; I100-F102 HydrophobicContact CG2-CD1 4.06Å; I100-F102 HydrophobicContact CG2-CE1 3.27Å; I100-F102 HydrophobicContact CG2-CE2 4.19Å; I100-F102 HydrophobicContact CG2-CZ 3.35Å; I100-F102 PolarHBondContact O-N 2.97Å; I100-F103 HydrophobicContact CG2-CE2 4.12Å; I100-L129 HydrophobicContact CD1-CD1 3.86Å; I100-L129 HydrophobicContact CD1-CD2 3.9Å; I100-L129 HydrophobicContact CG1-CD1 3.7Å; I100-F134 HydrophobicContact CB-CD1 4.16Å; I100-F134 HydrophobicContact CG2-CD1 4.3Å; I100-F134 HydrophobicContact CG2-CE1 4.29Å; I100-F135 HydrophobicContact CD1-CE1 3.98Å; I100-F135 HydrophobicContact CD1-CZ 3.53Å | ||
| 101 | T | 90.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 57.2 | -175 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | N99 | N99-T101 PolarHBondContact OD1-N 3.34Å; N99-T101 PolarHBondContact OD1-OG1 2.97Å; N99-T101 VanDerWaalsContact OD1-OG1 3.08Å |
| 102 | F | 93.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -7.9 | -178.8 | 55.2 | -109.3 | 0 | 0 | 0 | 114.2 | F65 V73 L76 T77 F80 F92 F97 I100 | F65-F102 HydrophobicContact CD1-CZ 4.03Å; F65-F102 AromaticContact CE1-CE2 3.73Å; F65-F102 HydrophobicContact CE1-CE2 3.73Å; F65-F102 AromaticContact CE1-CZ 3.58Å; F65-F102 HydrophobicContact CE1-CZ 3.58Å; F65-F102 HydrophobicContact CE2-CE2 4.37Å; F65-F102 HydrophobicContact CE2-CZ 4.3Å; F65-F102 AromaticContact CZ-CE2 3.6Å; F65-F102 HydrophobicContact CZ-CE2 3.6Å; F65-F102 AromaticContact CZ-CZ 3.74Å; F65-F102 HydrophobicContact CZ-CZ 3.74Å; V73-F102 HydrophobicContact CG1-CB 4.19Å; L76-F102 HydrophobicContact CB-CB 3.83Å; L76-F102 HydrophobicContact CB-CD1 4.15Å; L76-F102 HydrophobicContact CB-CD2 3.92Å; L76-F102 HydrophobicContact CB-CG 3.71Å; L76-F102 HydrophobicContact CD1-CD1 3.8Å; L76-F102 HydrophobicContact CD1-CD2 4.41Å; L76-F102 HydrophobicContact CD1-CE1 3.67Å; L76-F102 HydrophobicContact CD1-CE2 4.32Å; L76-F102 HydrophobicContact CD1-CG 4.17Å; L76-F102 HydrophobicContact CD1-CZ 3.94Å; T77-F102 WeakPolarHBondContact CA-O 3.23Å; T77-F102 WeakPolarHBondContact OG1-CB 3.03Å; F80-F102 HydrophobicContact CD2-CD2 4.01Å; F80-F102 HydrophobicContact CD2-CE2 4.32Å; F80-F102 HydrophobicContact CE2-CD2 4.37Å; F80-F102 HydrophobicContact CE2-CE2 4.25Å; F92-F102 HydrophobicContact CE1-CE1 4.41Å; F92-F102 AromaticContact CE1-CZ 3.81Å; F92-F102 HydrophobicContact CE1-CZ 3.81Å; F92-F102 AromaticContact CZ-CZ 3.99Å; F92-F102 HydrophobicContact CZ-CZ 3.99Å; F97-F102 HydrophobicContact CE2-CE1 4.44Å; I100-F102 HydrophobicContact CB-CE1 4.09Å; I100-F102 HydrophobicContact CG2-CD1 4.06Å; I100-F102 HydrophobicContact CG2-CE1 3.27Å; I100-F102 HydrophobicContact CG2-CE2 4.19Å; I100-F102 HydrophobicContact CG2-CZ 3.35Å; I100-F102 PolarHBondContact O-N 2.97Å |
| 103 | F | 92.9 | Very high | 92.1 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -76.2 | 139.5 | 171.6 | -66.9 | -77.4 | 0 | 0 | 0 | 110.2 | M63 F65 F80 I90 F92 I100 F112 F134 | M63-F103 HydrophobicContact CE-CE1 4.19Å; F65-F103 HydrophobicContact CE2-CZ 4.04Å; F65-F103 HydrophobicContact CZ-CZ 4.11Å; F80-F103 HydrophobicContact CD1-CE1 4.45Å; I90-F103 HydrophobicContact CD1-CZ 4.16Å; I90-F103 HydrophobicContact CG2-CZ 4.31Å; F92-F103 AromaticContact CZ-CE2 3.93Å; F92-F103 HydrophobicContact CZ-CE2 3.93Å; F92-F103 HydrophobicContact CZ-CZ 4.28Å; I100-F103 HydrophobicContact CG2-CE2 4.12Å; F103-F112 HydrophobicContact CB-CB 4.08Å; F103-F112 HydrophobicContact CB-CD1 4.12Å; F103-F112 HydrophobicContact CB-CD2 3.7Å; F103-F112 HydrophobicContact CB-CE1 4.47Å; F103-F112 HydrophobicContact CB-CE2 4.09Å; F103-F112 HydrophobicContact CB-CG 3.69Å; F103-F112 HydrophobicContact CB-CZ 4.44Å; F103-F112 HydrophobicContact CD1-CD1 4.38Å; F103-F112 HydrophobicContact CD1-CD2 4.24Å; F103-F112 AromaticContact CD1-CE1 3.9Å; F103-F112 HydrophobicContact CD1-CE1 3.9Å; F103-F112 AromaticContact CD1-CE2 3.74Å; F103-F112 HydrophobicContact CD1-CE2 3.74Å; F103-F112 AromaticContact CD1-CZ 3.53Å; F103-F112 HydrophobicContact CD1-CZ 3.53Å; F103-F112 HydrophobicContact CE1-CE1 4.27Å; F103-F112 AromaticContact CE1-CZ 3.98Å; F103-F112 HydrophobicContact CE1-CZ 3.98Å; F103-F112 HydrophobicContact CG-CD1 4.17Å; F103-F112 HydrophobicContact CG-CD2 4.27Å; F103-F112 HydrophobicContact CG-CE1 4.12Å; F103-F112 HydrophobicContact CG-CE2 4.22Å; F103-F112 HydrophobicContact CG-CG 4.22Å; F103-F112 HydrophobicContact CG-CZ 4.13Å; F103-F134 HydrophobicContact CB-CE2 4.03Å; F103-F134 HydrophobicContact CB-CZ 4.2Å; F103-F134 AromaticContact CD2-CE1 3.84Å; F103-F134 HydrophobicContact CD2-CE1 3.84Å; F103-F134 AromaticContact CD2-CE2 3.69Å; F103-F134 HydrophobicContact CD2-CE2 3.69Å; F103-F134 AromaticContact CD2-CZ 3.14Å; F103-F134 HydrophobicContact CD2-CZ 3.14Å; F103-F134 AromaticContact CE2-CE1 3.99Å; F103-F134 HydrophobicContact CE2-CE1 3.99Å; F103-F134 AromaticContact CE2-CZ 3.7Å; F103-F134 HydrophobicContact CE2-CZ 3.7Å; F103-F134 HydrophobicContact CG-CE2 4.29Å; F103-F134 AromaticContact CG-CZ 3.98Å; F103-F134 HydrophobicContact CG-CZ 3.98Å |
| 104 | P | 91.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 161.3 | 178.5 | 35.7 | -40.2 | 0 | 0 | 0 | 110.5 | F80 I83 F112 | F80-P104 WeakPolarHBondContact O-CD 3.34Å; F80-P104 VanDerWaalsContact O-CG 3.25Å; F80-P104 WeakPolarHBondContact O-CG 3.37Å; I83-P104 WeakPolarHBondContact O-CG 3.28Å; P104-F112 WeakPolarHBondContact O-CA 3.43Å; P104-F112 WeakPolarHBondContact O-CB 3.37Å; P104-F112 WeakPolarHBondContact O-CD2 3.25Å |
| 105 | K | 89.4 | Confident | 91.7 | Very high | 129 Ų | 129 | 57 Ų | 57 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 137.3 | 170.3 | -70 | 157.2 | 148.4 | -98.7 | 0 | 108.4 | D110 | K105-D110 PolarHBondContact NZ-O 2.78Å; K105-D110 IonicContact NZ-OD1 2.81Å; K105-D110 PolarHBondContact NZ-OD1 2.96Å; K105-D110 IonicContact NZ-OD2 3.21Å; K105-D110 PolarHBondContact NZ-OD2 2.91Å |
| 106 | S | 85.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 149.2 | 171.9 | 96.2 | 0 | 0 | 0 | 0 | 110.1 | W108 S109 D110 Q111 E113 | S106-W108 PolarHBondContact O-N 2.79Å; S106-W108 PolarHBondContact OG-N 3.24Å; S106-S109 PolarHBondContact OG-N 3.21Å; S106-S109 PolarHBondContact OG-OG 2.65Å; S106-D110 VanDerWaalsContact O-CA 3.32Å; S106-D110 WeakPolarHBondContact O-CA 3.47Å; S106-D110 PolarHBondContact O-N 2.8Å; S106-Q111 PolarHBondContact N-O 2.9Å; S106-E113 WeakPolarHBondContact CB-OE1 3.36Å; S106-E113 PolarHBondContact OG-OE1 3.1Å |
| 107 | E | 82.7 | Confident | 91 | Very high | 195 Ų | 195 | 54.1 Ų | 54.1 | 91% | 0.911 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.7 | 174.7 | -63.2 | -172.5 | 161.4 | 0 | 0 | 112.5 | ||
| 108 | W | 81.4 | Confident | 90.6 | Very high | 235 Ų | 235 | 54.1 Ų | 54.1 | 89% | 0.89 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -43.4 | -173.6 | -59.5 | 98 | 0 | 0 | 0 | 112.8 | S106 | S106-W108 PolarHBondContact O-N 2.79Å; S106-W108 PolarHBondContact OG-N 3.24Å |
| 109 | S | 86.4 | Confident | 90.3 | Very high | 32 Ų | 32 | 53 Ų | 53 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -11.6 | -176.7 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | S106 Q111 E113 | S106-S109 PolarHBondContact OG-N 3.21Å; S106-S109 PolarHBondContact OG-OG 2.65Å; S109-Q111 WeakPolarHBondContact O-CG 3.39Å; S109-Q111 PolarHBondContact O-N 2.76Å; S109-Q111 PolarHBondContact OG-N 2.78Å; S109-Q111 PolarHBondContact OG-O 2.83Å; S109-E113 WeakPolarHBondContact OG-CG 3.44Å; S109-E113 PolarHBondContact OG-OE1 2.82Å; S109-E113 VanDerWaalsContact OG-OE1 3.14Å |
| 110 | D | 89.5 | Confident | 90.2 | Very high | 105 Ų | 105 | 51 Ų | 51 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 53 | 26.4 | -165.9 | -173.5 | 35.3 | 0 | 0 | 0 | 112.3 | K105 S106 | K105-D110 PolarHBondContact NZ-O 2.78Å; K105-D110 IonicContact NZ-OD1 2.81Å; K105-D110 PolarHBondContact NZ-OD1 2.96Å; K105-D110 IonicContact NZ-OD2 3.21Å; K105-D110 PolarHBondContact NZ-OD2 2.91Å; S106-D110 VanDerWaalsContact O-CA 3.32Å; S106-D110 WeakPolarHBondContact O-CA 3.47Å; S106-D110 PolarHBondContact O-N 2.8Å |
| 111 | Q | 91.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -138.9 | 161.7 | -178 | -65.3 | -178.9 | -62 | 0 | 0 | 110 | S106 S109 D137 F139 | S106-Q111 PolarHBondContact N-O 2.9Å; S109-Q111 WeakPolarHBondContact O-CG 3.39Å; S109-Q111 PolarHBondContact O-N 2.76Å; S109-Q111 PolarHBondContact OG-N 2.78Å; S109-Q111 PolarHBondContact OG-O 2.83Å; Q111-D137 VanDerWaalsContact CD-O 3.32Å; Q111-D137 VanDerWaalsContact CG-O 3.29Å; Q111-D137 WeakPolarHBondContact CG-O 3.36Å; Q111-D137 PolarHBondContact NE2-O 3.17Å; Q111-F139 HydrophobicContact CB-CB 3.89Å |
| 112 | F | 92.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | trans | -76.6 | 127.2 | 167.4 | 179.3 | -114.3 | 0 | 0 | 0 | 108.8 | F86 I90 F103 P104 F114 F134 F139 | F86-F112 HydrophobicContact CB-CE1 4.3Å; F86-F112 HydrophobicContact CB-CE2 4.33Å; F86-F112 HydrophobicContact CB-CZ 3.57Å; F86-F112 HydrophobicContact CG-CZ 4.49Å; I90-F112 HydrophobicContact CD1-CE1 3.87Å; I90-F112 HydrophobicContact CD1-CZ 4.5Å; F103-F112 HydrophobicContact CB-CB 4.08Å; F103-F112 HydrophobicContact CB-CD1 4.12Å; F103-F112 HydrophobicContact CB-CD2 3.7Å; F103-F112 HydrophobicContact CB-CE1 4.47Å; F103-F112 HydrophobicContact CB-CE2 4.09Å; F103-F112 HydrophobicContact CB-CG 3.69Å; F103-F112 HydrophobicContact CB-CZ 4.44Å; F103-F112 HydrophobicContact CD1-CD1 4.38Å; F103-F112 HydrophobicContact CD1-CD2 4.24Å; F103-F112 AromaticContact CD1-CE1 3.9Å; F103-F112 HydrophobicContact CD1-CE1 3.9Å; F103-F112 AromaticContact CD1-CE2 3.74Å; F103-F112 HydrophobicContact CD1-CE2 3.74Å; F103-F112 AromaticContact CD1-CZ 3.53Å; F103-F112 HydrophobicContact CD1-CZ 3.53Å; F103-F112 HydrophobicContact CE1-CE1 4.27Å; F103-F112 AromaticContact CE1-CZ 3.98Å; F103-F112 HydrophobicContact CE1-CZ 3.98Å; F103-F112 HydrophobicContact CG-CD1 4.17Å; F103-F112 HydrophobicContact CG-CD2 4.27Å; F103-F112 HydrophobicContact CG-CE1 4.12Å; F103-F112 HydrophobicContact CG-CE2 4.22Å; F103-F112 HydrophobicContact CG-CG 4.22Å; F103-F112 HydrophobicContact CG-CZ 4.13Å; P104-F112 WeakPolarHBondContact O-CA 3.43Å; P104-F112 WeakPolarHBondContact O-CB 3.37Å; P104-F112 WeakPolarHBondContact O-CD2 3.25Å; F112-F114 HydrophobicContact CD1-CB 4.32Å; F112-F114 HydrophobicContact CE1-CB 4.13Å; F112-F134 HydrophobicContact CD1-CZ 4.42Å; F112-F139 PolarHBondContact O-N 2.92Å | ||
| 113 | E | 93.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.7 | -178.1 | -65.5 | -179.7 | -151.3 | 0 | 0 | 110.7 | S84 V85 F86 S106 S109 F139 L141 | S84-E113 PolarHBondContact O-N 2.8Å; V85-E113 WeakPolarHBondContact CA-O 3.28Å; V85-E113 HydrophobicContact CB-CB 4.31Å; V85-E113 HydrophobicContact CG1-CB 4.06Å; V85-E113 HydrophobicContact CG2-CB 4.02Å; F86-E113 PolarHBondContact N-O 3.09Å; S106-E113 WeakPolarHBondContact CB-OE1 3.36Å; S106-E113 PolarHBondContact OG-OE1 3.1Å; S109-E113 WeakPolarHBondContact OG-CG 3.44Å; S109-E113 PolarHBondContact OG-OE1 2.82Å; S109-E113 VanDerWaalsContact OG-OE1 3.14Å; E113-F139 HydrophobicContact CG-CB 4.18Å; E113-F139 HydrophobicContact CG-CD1 4Å; E113-F139 HydrophobicContact CG-CG 4.45Å; E113-L141 HydrophobicContact CB-CD1 4.14Å |
| 114 | F | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 109.2 | -174.9 | -179.9 | -149.1 | 0 | 0 | 0 | 112.3 | F86 G88 I90 F112 C116 G120 L121 I138 F139 Y140 L141 | F86-F114 AromaticContact CD1-CD2 3.75Å; F86-F114 HydrophobicContact CD1-CD2 3.75Å; F86-F114 AromaticContact CD1-CE2 3.67Å; F86-F114 HydrophobicContact CD1-CE2 3.67Å; F86-F114 HydrophobicContact CE1-CE2 4.06Å; G88-F114 WeakPolarHBondContact O-CE2 3.45Å; I90-F114 HydrophobicContact CB-CE1 4.49Å; I90-F114 HydrophobicContact CB-CZ 4.34Å; I90-F114 HydrophobicContact CD1-CD1 4.11Å; I90-F114 HydrophobicContact CD1-CD2 4.1Å; I90-F114 HydrophobicContact CD1-CE1 4.08Å; I90-F114 HydrophobicContact CD1-CE2 4.1Å; I90-F114 HydrophobicContact CD1-CG 4.14Å; I90-F114 HydrophobicContact CD1-CZ 4.09Å; I90-F114 HydrophobicContact CG1-CE1 4.22Å; I90-F114 HydrophobicContact CG1-CE2 4.02Å; I90-F114 HydrophobicContact CG1-CZ 3.86Å; F112-F114 HydrophobicContact CD1-CB 4.32Å; F112-F114 HydrophobicContact CE1-CB 4.13Å; F114-C116 HydrophobicContact CD1-CB 3.69Å; F114-C116 HydrophobicContact CD2-CB 4.2Å; F114-C116 HydrophobicContact CE1-CB 3.38Å; F114-C116 HydrophobicContact CE2-CB 3.92Å; F114-C116 HydrophobicContact CG-CB 4.08Å; F114-C116 HydrophobicContact CZ-CB 3.5Å; F114-C116 VanDerWaalsContact CZ-CB 3.5Å; F114-C116 PolarHBondContact O-N 2.98Å; F114-G120 VanDerWaalsContact CZ-O 3.31Å; F114-G120 WeakPolarHBondContact CZ-O 3.46Å; F114-L121 HydrophobicContact CE1-CB 4.13Å; F114-I138 HydrophobicContact CB-CG2 3.75Å; F114-F139 PolarHBondContact N-O 2.96Å; F114-Y140 HydrophobicContact CD1-CD1 4.06Å; F114-Y140 AromaticContact CD1-CE1 3.98Å; F114-Y140 HydrophobicContact CD1-CE1 3.98Å; F114-L141 PolarHBondContact O-N 2.9Å |
| 115 | C | 93.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 98.3 | 169.8 | -71.7 | 0 | 0 | 0 | 0 | 110.9 | F86 Y87 G88 L141 | F86-C115 PolarHBondContact O-N 2.89Å; Y87-C115 HydrophobicContact CD1-CB 3.21Å; Y87-C115 WeakPolarHBondContact CD1-SG 3.14Å; Y87-C115 HydrophobicContact CE1-CB 3.63Å; Y87-C115 WeakPolarHBondContact CE1-SG 3.44Å; Y87-C115 HydrophobicContact CG-CB 3.82Å; G88-C115 PolarHBondContact N-O 3.03Å; C115-L141 WeakPolarHBondContact CA-O 3.46Å; C115-L141 HydrophobicContact CB-CB 4.22Å; C115-L141 WeakPolarHBondContact SG-CB 3.43Å; C115-L141 WeakPolarHBondContact SG-CD1 3.31Å |
| 116 | C | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 1.8 | -161.2 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | F114 T118 G120 L141 C149 P150 | F114-C116 HydrophobicContact CD1-CB 3.69Å; F114-C116 HydrophobicContact CD2-CB 4.2Å; F114-C116 HydrophobicContact CE1-CB 3.38Å; F114-C116 HydrophobicContact CE2-CB 3.92Å; F114-C116 HydrophobicContact CG-CB 4.08Å; F114-C116 HydrophobicContact CZ-CB 3.5Å; F114-C116 VanDerWaalsContact CZ-CB 3.5Å; F114-C116 PolarHBondContact O-N 2.98Å; C116-T118 PolarHBondContact O-N 3.17Å; C116-T118 VanDerWaalsContact O-N 3.14Å; C116-G120 WeakPolarHBondContact O-CA 3.35Å; C116-G120 PolarHBondContact O-N 3.43Å; C116-L141 PolarHBondContact N-O 2.9Å; C116-C149 VanDerWaalsContact CA-SG 3.54Å; C116-C149 HydrophobicContact CB-CB 3.67Å; C116-C149 WeakPolarHBondContact CB-SG 3.49Å; C116-C149 WeakPolarHBondContact SG-CB 3.38Å; C116-C149 CovalentContact SG-SG 2.01Å; C116-C149 PolarHBondContact SG-SG 3.36Å; C116-P150 WeakPolarHBondContact O-CD 3.18Å |
| 117 | Y | 87.2 | Confident | 92.5 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -9.2 | -166.9 | 66.9 | -97.2 | 0 | 0 | 0 | 115.3 | T28 H29 D143 C149 | T28-Y117 HydrophobicContact CG2-CD2 4.17Å; T28-Y117 HydrophobicContact CG2-CE2 3.15Å; T28-Y117 WeakPolarHBondContact CG2-OH 3.32Å; T28-Y117 PolarHBondContact O-OH 3.31Å; H29-Y117 AromaticContact CE1-CD1 3.7Å; H29-Y117 AromaticContact CE1-CE1 3.1Å; H29-Y117 WeakPolarHBondContact CE1-CE1 3.36Å; H29-Y117 AromaticContact CE1-CE2 3.91Å; H29-Y117 AromaticContact CE1-CZ 3.21Å; H29-Y117 PolarHBondContact CE1-OH 2.83Å; H29-Y117 AromaticContact ND1-CE1 3.43Å; H29-Y117 WeakPolarHBondContact ND1-CE1 3.25Å; H29-Y117 AromaticContact ND1-CZ 3.36Å; H29-Y117 PolarHBondContact ND1-OH 3.06Å; H29-Y117 VanDerWaalsContact ND1-OH 3.1Å; Y117-D143 HydrophobicContact CD1-CB 4.22Å; Y117-D143 HydrophobicContact CD2-CB 4Å; Y117-D143 HydrophobicContact CG-CB 3.76Å; Y117-C149 PolarHBondContact N-SG 3.22Å |
| 118 | T | 88.7 | Confident | 93.2 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -56.5 | 174.7 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | T28 H29 G88 C116 | T28-T118 HydrophobicContact CG2-CG2 3.48Å; T28-T118 VanDerWaalsContact CG2-CG2 3.48Å; H29-T118 VanDerWaalsContact NE2-CG2 3.31Å; H29-T118 WeakPolarHBondContact NE2-CG2 3.44Å; H29-T118 PolarHBondContact NE2-OG1 3.05Å; H29-T118 VanDerWaalsContact NE2-OG1 3.12Å; G88-T118 WeakPolarHBondContact CA-OG1 3.13Å; C116-T118 PolarHBondContact O-N 3.17Å; C116-T118 VanDerWaalsContact O-N 3.14Å |
| 119 | F | 90.6 | Very high | 94 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -14 | -174.1 | -76.2 | -80 | 0 | 0 | 0 | 114.7 | N21 M24 V25 I62 | N21-F119 HydrophobicContact CB-CE1 3.83Å; N21-F119 HydrophobicContact CB-CE2 4.1Å; N21-F119 HydrophobicContact CB-CZ 3.3Å; N21-F119 VanDerWaalsContact CG-CZ 3.47Å; N21-F119 VanDerWaalsContact O-CE2 3.29Å; N21-F119 WeakPolarHBondContact O-CE2 3.29Å; M24-F119 HydrophobicContact CE-CD2 4.19Å; M24-F119 HydrophobicContact CE-CE1 3.92Å; M24-F119 HydrophobicContact CE-CE2 3.28Å; M24-F119 HydrophobicContact CE-CZ 3.13Å; V25-F119 HydrophobicContact CG2-CD2 3.49Å; V25-F119 VanDerWaalsContact CG2-CD2 3.49Å; V25-F119 HydrophobicContact CG2-CE2 3.47Å; V25-F119 VanDerWaalsContact CG2-CE2 3.47Å; I62-F119 HydrophobicContact CD1-CD1 4.45Å; I62-F119 HydrophobicContact CD1-CD2 3.81Å; I62-F119 HydrophobicContact CD1-CE1 4.32Å; I62-F119 HydrophobicContact CD1-CE2 3.67Å; I62-F119 HydrophobicContact CD1-CG 4.21Å; I62-F119 HydrophobicContact CD1-CZ 3.92Å; I62-F119 HydrophobicContact CG1-CD2 4.16Å; I62-F119 HydrophobicContact CG1-CE2 4.43Å |
| 120 | G | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -160.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | G89 I90 F114 C116 P150 | G89-G120 WeakPolarHBondContact CA-O 3.31Å; I90-G120 PolarHBondContact N-O 3.17Å; F114-G120 VanDerWaalsContact CZ-O 3.31Å; F114-G120 WeakPolarHBondContact CZ-O 3.46Å; C116-G120 WeakPolarHBondContact O-CA 3.35Å; C116-G120 PolarHBondContact O-N 3.43Å; G120-P150 CarbonylContact C-O 3.32Å; G120-P150 WeakPolarHBondContact CA-O 3.47Å |
| 121 | L | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.5 | 178.1 | 173.5 | 65.1 | 0 | 0 | 0 | 109.5 | I90 F92 F114 V123 F135 P150 F151 L152 F153 | I90-L121 HydrophobicContact CB-CD1 4.08Å; I90-L121 HydrophobicContact CG2-CD1 4.1Å; I90-L121 WeakPolarHBondContact O-CA 3.39Å; F92-L121 HydrophobicContact CD2-CD1 4.18Å; F92-L121 HydrophobicContact CE2-CD1 4.22Å; F114-L121 HydrophobicContact CE1-CB 4.13Å; L121-V123 HydrophobicContact CD1-CG2 3.97Å; L121-V123 HydrophobicContact CD2-CG2 4.43Å; L121-V123 HydrophobicContact CG-CG2 4.01Å; L121-F135 HydrophobicContact CD1-CE1 4.37Å; L121-F135 HydrophobicContact CD2-CD1 3.55Å; L121-F135 HydrophobicContact CD2-CE1 4.08Å; L121-F135 HydrophobicContact CD2-CG 4.38Å; L121-P150 PolarHBondContact N-O 3.47Å; L121-F151 HydrophobicContact CB-CD1 3.94Å; L121-F151 HydrophobicContact CB-CE1 4.23Å; L121-F151 HydrophobicContact CD2-CD1 4.49Å; L121-F151 WeakPolarHBondContact O-CA 3.16Å; L121-L152 PolarHBondContact O-N 2.01Å; L121-F153 HydrophobicContact CD2-CE2 4.4Å; L121-F153 HydrophobicContact CD2-CZ 3.82Å; L121-F153 HydrophobicContact CG-CZ 4.45Å |
| 122 | T | 97.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 20% | 0.202 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.5 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 110 | I90 V91 F92 V124 L152 | I90-T122 PolarHBondContact O-N 3.49Å; V91-T122 CarbonylContact C-O 3.58Å; V91-T122 WeakPolarHBondContact CA-O 3.1Å; V91-T122 HydrophobicContact CG1-CG2 4.18Å; F92-T122 PolarHBondContact N-O 2.86Å; T122-V124 HydrophobicContact CG2-CG1 3.72Å; T122-V124 HydrophobicContact CG2-CG2 4.11Å; T122-L152 CarbonylContact C-O 3.42Å; T122-L152 WeakPolarHBondContact CA-O 3.5Å; T122-L152 HydrophobicContact CG2-CB 4.35Å; T122-L152 HydrophobicContact CG2-CD2 4.03Å; T122-L152 HydrophobicContact CG2-CG 4.45Å |
| 123 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 99 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 108 | F92 L121 L129 F135 L152 F153 E154 N156 L159 | F92-V123 HydrophobicContact CB-CG1 4.32Å; F92-V123 HydrophobicContact CB-CG2 4.48Å; F92-V123 HydrophobicContact CD2-CG2 4.15Å; F92-V123 CarbonylContact O-C 3.52Å; F92-V123 WeakPolarHBondContact O-CA 3.48Å; L121-V123 HydrophobicContact CD1-CG2 3.97Å; L121-V123 HydrophobicContact CD2-CG2 4.43Å; L121-V123 HydrophobicContact CG-CG2 4.01Å; V123-L129 HydrophobicContact CG1-CD2 3.62Å; V123-F135 HydrophobicContact CB-CZ 4.44Å; V123-F135 HydrophobicContact CG1-CZ 3.98Å; V123-F135 HydrophobicContact CG2-CD1 4.45Å; V123-F135 HydrophobicContact CG2-CE1 3.62Å; V123-F135 HydrophobicContact CG2-CZ 3.64Å; V123-L152 PolarHBondContact N-O 3.14Å; V123-F153 HydrophobicContact CB-CD1 3.68Å; V123-F153 HydrophobicContact CB-CE1 3.85Å; V123-F153 HydrophobicContact CB-CG 4.35Å; V123-F153 HydrophobicContact CG1-CD1 4.15Å; V123-F153 HydrophobicContact CG1-CE1 4.34Å; V123-F153 HydrophobicContact CG2-CD1 3.96Å; V123-F153 HydrophobicContact CG2-CE1 3.58Å; V123-F153 HydrophobicContact CG2-CZ 4.06Å; V123-F153 CarbonylContact O-C 3.3Å; V123-F153 VanDerWaalsContact O-CA 3.28Å; V123-F153 WeakPolarHBondContact O-CA 3.36Å; V123-E154 PolarHBondContact O-N 3.33Å; V123-N156 PolarHBondContact O-ND2 3.1Å; V123-L159 HydrophobicContact CG1-CD2 4.21Å |
| 124 | V | 98.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.5 | -170.9 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | F92 D93 N94 T122 N126 L152 E154 | F92-V124 PolarHBondContact O-N 3.02Å; D93-V124 WeakPolarHBondContact CA-O 2.99Å; D93-V124 HydrophobicContact CB-CG2 3.8Å; D93-V124 WeakPolarHBondContact OD1-CG2 3.27Å; N94-V124 PolarHBondContact N-O 2.85Å; T122-V124 HydrophobicContact CG2-CG1 3.72Å; T122-V124 HydrophobicContact CG2-CG2 4.11Å; V124-N126 VanDerWaalsContact C-N 3.25Å; V124-N126 PolarHBondContact N-ND2 3.11Å; V124-N126 PolarHBondContact O-N 3.1Å; V124-N126 VanDerWaalsContact O-N 3.14Å; V124-N126 PolarHBondContact O-ND2 3.41Å; V124-L152 HydrophobicContact CG1-CD2 4.11Å; V124-L152 HydrophobicContact CG1-CG 4.16Å; V124-E154 CarbonylContact C-O 3.55Å; V124-E154 WeakPolarHBondContact CA-O 3.48Å; V124-E154 HydrophobicContact CG1-CB 3.97Å |
| 125 | N | 98.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 34 Ų | 34 | 34% | 0.337 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 59.7 | 25.5 | 171 | -49.7 | -49.3 | 0 | 0 | 0 | 115.3 | D93 N94 L127 E154 N155 | D93-N125 PolarHBondContact OD1-ND2 2.77Å; N94-N125 WeakPolarHBondContact CA-O 3.41Å; N94-N125 HydrophobicContact CB-CB 4.33Å; N125-L127 PolarHBondContact O-N 2.98Å; N125-E154 PolarHBondContact N-O 2.95Å; N125-N155 WeakPolarHBondContact CA-O 3.21Å; N125-N155 WeakPolarHBondContact OD1-CB 3.25Å; N125-N155 PolarHBondContact OD1-ND2 3.48Å |
| 126 | N | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -89.1 | 98.9 | -179.6 | -56.5 | -81 | 0 | 0 | 0 | 110.7 | F92 T95 V124 H128 L129 N156 | F92-N126 PolarHBondContact O-ND2 2.96Å; T95-N126 VanDerWaalsContact CB-OD1 3.29Å; T95-N126 WeakPolarHBondContact CB-OD1 3.31Å; T95-N126 WeakPolarHBondContact CG2-OD1 3.47Å; T95-N126 PolarHBondContact N-OD1 2.96Å; T95-N126 PolarHBondContact OG1-OD1 2.83Å; V124-N126 VanDerWaalsContact C-N 3.25Å; V124-N126 PolarHBondContact N-ND2 3.11Å; V124-N126 PolarHBondContact O-N 3.1Å; V124-N126 VanDerWaalsContact O-N 3.14Å; V124-N126 PolarHBondContact O-ND2 3.41Å; N126-H128 VanDerWaalsContact C-N 3.26Å; N126-H128 PolarHBondContact O-N 2.86Å; N126-L129 HydrophobicContact CB-CB 3.67Å; N126-L129 HydrophobicContact CB-CD2 4.12Å; N126-N156 VanDerWaalsContact CB-OD1 3.22Å; N126-N156 WeakPolarHBondContact CB-OD1 3.11Å; N126-N156 PolarHBondContact N-OD1 3.25Å; N126-N156 PolarHBondContact ND2-OD1 3.12Å | ||
| 127 | L | 98.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -67.9 | -21.5 | -173.5 | -61.7 | -179.5 | 0 | 0 | 0 | 114.7 | N125 P157 K158 | N125-L127 PolarHBondContact O-N 2.98Å; L127-P157 HydrophobicContact CD2-CG 4.02Å; L127-K158 WeakPolarHBondContact O-CD 3.46Å; L127-K158 WeakPolarHBondContact O-CE 3.46Å |
| 128 | H | 98 | Very high | 94.6 | Very high | 73 Ų | 73 | 38.4 Ų | 38.4 | 34% | 0.338 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -112.2 | -11.1 | -172.5 | -61.7 | -76.2 | 0 | 0 | 0 | 113.8 | N96 F97 T98 N126 T130 | N96-H128 PolarHBondContact OD1-CD2 3.4Å; F97-H128 CarbonylContact O-C 3.49Å; F97-H128 VanDerWaalsContact O-C 3.3Å; T98-H128 WeakPolarHBondContact CA-O 3.05Å; T98-H128 HydrophobicContact CG2-CB 4.23Å; N126-H128 VanDerWaalsContact C-N 3.26Å; N126-H128 PolarHBondContact O-N 2.86Å; H128-T130 PolarHBondContact O-N 3.19Å |
| 129 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -71.2 | 124.3 | -174.5 | -177 | 62.5 | 0 | 0 | 0 | 110.8 | F97 I100 V123 N126 F135 K158 L159 | F97-L129 WeakPolarHBondContact O-CA 3.06Å; F97-L129 PolarHBondContact O-N 3.42Å; F97-L129 VanDerWaalsContact O-N 3.15Å; I100-L129 HydrophobicContact CD1-CD1 3.86Å; I100-L129 HydrophobicContact CD1-CD2 3.9Å; I100-L129 HydrophobicContact CG1-CD1 3.7Å; V123-L129 HydrophobicContact CG1-CD2 3.62Å; N126-L129 HydrophobicContact CB-CB 3.67Å; N126-L129 HydrophobicContact CB-CD2 4.12Å; L129-F135 HydrophobicContact CD2-CE2 4.15Å; L129-F135 HydrophobicContact CD2-CZ 4.02Å; L129-K158 CarbonylContact O-C 3.55Å; L129-K158 WeakPolarHBondContact O-CB 3.48Å; L129-L159 HydrophobicContact CD2-CD2 4.02Å; L129-L159 HydrophobicContact CG-CD1 4.31Å; L129-L159 HydrophobicContact CG-CD2 4.48Å; L129-L159 PolarHBondContact O-N 3.43Å | ||
| 130 | T | 96.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | trans | -122.3 | -28.4 | -176.4 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | T98 H128 F132 K158 | T98-T130 PolarHBondContact O-N 3.42Å; T98-T130 PolarHBondContact O-OG1 3.4Å; H128-T130 PolarHBondContact O-N 3.19Å; T130-F132 PolarHBondContact O-N 3.23Å; T130-K158 HydrophobicContact CG2-CB 3.74Å; T130-K158 HydrophobicContact CG2-CD 4.31Å | ||
| 131 | D | 92.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | trans | -89.9 | 109.5 | -171.5 | -168.5 | 2.7 | 0 | 0 | 0 | 111.7 | N99 K133 | N99-D131 HydrophobicContact CB-CB 4.13Å; D131-K133 VanDerWaalsContact OD1-CB 3.23Å; D131-K133 WeakPolarHBondContact OD1-CB 2.96Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 2.91Å | ||
| 132 | F | 91.8 | Very high | 94 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | trans | -87.5 | -11.5 | 175.4 | 80.8 | -85.9 | 0 | 0 | 0 | 113.4 | T130 F134 F135 R136 L159 D160 K163 L164 | T130-F132 PolarHBondContact O-N 3.23Å; F132-F134 VanDerWaalsContact C-N 3.28Å; F132-F134 PolarHBondContact O-N 3.3Å; F132-F135 PolarHBondContact O-N 2.75Å; F132-F135 VanDerWaalsContact O-N 3.13Å; F132-R136 HydrophobicContact CD2-CB 4.36Å; F132-R136 HydrophobicContact CE2-CB 4.38Å; F132-R136 PolarHBondContact O-N 2.84Å; F132-L159 HydrophobicContact CB-CD1 3.75Å; F132-D160 VanDerWaalsContact CB-O 3.32Å; F132-D160 WeakPolarHBondContact CB-O 3.38Å; F132-D160 WeakPolarHBondContact CG-O 3.47Å; F132-K163 HydrophobicContact CE1-CD 4.48Å; F132-K163 HydrophobicContact CE2-CB 4.03Å; F132-K163 HydrophobicContact CE2-CD 4.23Å; F132-K163 HydrophobicContact CZ-CB 4.38Å; F132-K163 HydrophobicContact CZ-CD 3.74Å; F132-L164 HydrophobicContact CD2-CD2 4.04Å | ||
| 133 | K | 92.1 | Very high | 92.8 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -39.6 | -170.9 | -67.2 | 173.8 | -176.1 | 174.1 | 0 | 111.7 | D131 F135 R136 D137 | D131-K133 VanDerWaalsContact OD1-CB 3.23Å; D131-K133 WeakPolarHBondContact OD1-CB 2.96Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 2.91Å; K133-F135 VanDerWaalsContact C-N 3.33Å; K133-F135 PolarHBondContact O-N 3.14Å; K133-R136 WeakPolarHBondContact O-CB 3.39Å; K133-R136 PolarHBondContact O-N 3.13Å; K133-R136 VanDerWaalsContact O-N 3.11Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 3.44Å |
| 134 | F | 90.6 | Very high | 91.3 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.5 | -51.8 | 175.6 | 174 | -107.6 | 0 | 0 | 0 | 111.2 | I100 F103 F112 F132 R136 D137 I138 | I100-F134 HydrophobicContact CB-CD1 4.16Å; I100-F134 HydrophobicContact CG2-CD1 4.3Å; I100-F134 HydrophobicContact CG2-CE1 4.29Å; F103-F134 HydrophobicContact CB-CE2 4.03Å; F103-F134 HydrophobicContact CB-CZ 4.2Å; F103-F134 AromaticContact CD2-CE1 3.84Å; F103-F134 HydrophobicContact CD2-CE1 3.84Å; F103-F134 AromaticContact CD2-CE2 3.69Å; F103-F134 HydrophobicContact CD2-CE2 3.69Å; F103-F134 AromaticContact CD2-CZ 3.14Å; F103-F134 HydrophobicContact CD2-CZ 3.14Å; F103-F134 AromaticContact CE2-CE1 3.99Å; F103-F134 HydrophobicContact CE2-CE1 3.99Å; F103-F134 AromaticContact CE2-CZ 3.7Å; F103-F134 HydrophobicContact CE2-CZ 3.7Å; F103-F134 HydrophobicContact CG-CE2 4.29Å; F103-F134 AromaticContact CG-CZ 3.98Å; F103-F134 HydrophobicContact CG-CZ 3.98Å; F112-F134 HydrophobicContact CD1-CZ 4.42Å; F132-F134 VanDerWaalsContact C-N 3.28Å; F132-F134 PolarHBondContact O-N 3.3Å; F134-R136 VanDerWaalsContact C-N 3.29Å; F134-R136 PolarHBondContact O-N 2.89Å; F134-D137 PolarHBondContact O-N 3.29Å; F134-I138 HydrophobicContact CD1-CD1 4.07Å; F134-I138 HydrophobicContact CD2-CG1 4.45Å; F134-I138 HydrophobicContact CE1-CD1 3.42Å; F134-I138 VanDerWaalsContact CE1-CD1 3.42Å; F134-I138 HydrophobicContact CE1-CG1 4.09Å; F134-I138 HydrophobicContact CE2-CD1 4.17Å; F134-I138 HydrophobicContact CE2-CG1 3.91Å; F134-I138 HydrophobicContact CZ-CD1 3.44Å; F134-I138 VanDerWaalsContact CZ-CD1 3.44Å; F134-I138 HydrophobicContact CZ-CG1 3.68Å; F134-I138 WeakPolarHBondContact O-CG1 3.1Å; F134-I138 PolarHBondContact O-N 2.87Å |
| 135 | F | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 179.5 | -50.5 | -58.5 | 0 | 0 | 0 | 113.2 | I100 L121 V123 L129 F132 K133 D137 Y140 F153 L159 L164 | I100-F135 HydrophobicContact CD1-CE1 3.98Å; I100-F135 HydrophobicContact CD1-CZ 3.53Å; L121-F135 HydrophobicContact CD1-CE1 4.37Å; L121-F135 HydrophobicContact CD2-CD1 3.55Å; L121-F135 HydrophobicContact CD2-CE1 4.08Å; L121-F135 HydrophobicContact CD2-CG 4.38Å; V123-F135 HydrophobicContact CB-CZ 4.44Å; V123-F135 HydrophobicContact CG1-CZ 3.98Å; V123-F135 HydrophobicContact CG2-CD1 4.45Å; V123-F135 HydrophobicContact CG2-CE1 3.62Å; V123-F135 HydrophobicContact CG2-CZ 3.64Å; L129-F135 HydrophobicContact CD2-CE2 4.15Å; L129-F135 HydrophobicContact CD2-CZ 4.02Å; F132-F135 PolarHBondContact O-N 2.75Å; F132-F135 VanDerWaalsContact O-N 3.13Å; K133-F135 VanDerWaalsContact C-N 3.33Å; K133-F135 PolarHBondContact O-N 3.14Å; F135-D137 VanDerWaalsContact C-N 3.31Å; F135-Y140 VanDerWaalsContact O-CE2 3.3Å; F135-Y140 WeakPolarHBondContact O-CE2 3.47Å; F135-Y140 PolarHBondContact O-OH 3.4Å; F135-F153 HydrophobicContact CB-CE1 4.44Å; F135-F153 HydrophobicContact CB-CZ 4.17Å; F135-F153 HydrophobicContact CD1-CE1 4.2Å; F135-F153 HydrophobicContact CD1-CZ 4.2Å; F135-F153 AromaticContact CD2-CE1 3.68Å; F135-F153 HydrophobicContact CD2-CE1 3.68Å; F135-F153 HydrophobicContact CD2-CZ 4.24Å; F135-F153 HydrophobicContact CE1-CE1 4.31Å; F135-F153 AromaticContact CE2-CE1 3.85Å; F135-F153 HydrophobicContact CE2-CE1 3.85Å; F135-F153 AromaticContact CG-CE1 3.85Å; F135-F153 HydrophobicContact CG-CE1 3.85Å; F135-F153 AromaticContact CG-CZ 3.95Å; F135-F153 HydrophobicContact CG-CZ 3.95Å; F135-F153 HydrophobicContact CZ-CE1 4.13Å; F135-L159 HydrophobicContact CE2-CD1 4.2Å; F135-L159 HydrophobicContact CE2-CD2 3.94Å; F135-L164 HydrophobicContact CB-CD1 4.44Å; F135-L164 HydrophobicContact CB-CD2 4.29Å |
| 136 | R | 92.6 | Very high | 88.3 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 175 | -176.1 | -162.2 | 62.7 | -159.1 | -8.1 | 112.1 | F132 K133 F134 L164 V167 | F132-R136 HydrophobicContact CD2-CB 4.36Å; F132-R136 HydrophobicContact CE2-CB 4.38Å; F132-R136 PolarHBondContact O-N 2.84Å; K133-R136 WeakPolarHBondContact O-CB 3.39Å; K133-R136 PolarHBondContact O-N 3.13Å; K133-R136 VanDerWaalsContact O-N 3.11Å; F134-R136 VanDerWaalsContact C-N 3.29Å; F134-R136 PolarHBondContact O-N 2.89Å; R136-L164 HydrophobicContact CB-CD2 4.2Å; R136-V167 HydrophobicContact CB-CG2 4.32Å; R136-V167 HydrophobicContact CG-CG2 3.75Å |
| 137 | D | 91.2 | Very high | 86.9 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -99.4 | 5.1 | -167.9 | -60.2 | -19 | 0 | 0 | 0 | 113.2 | Q111 K133 F134 F135 | Q111-D137 VanDerWaalsContact CD-O 3.32Å; Q111-D137 VanDerWaalsContact CG-O 3.29Å; Q111-D137 WeakPolarHBondContact CG-O 3.36Å; Q111-D137 PolarHBondContact NE2-O 3.17Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 3.44Å; F134-D137 PolarHBondContact O-N 3.29Å; F135-D137 VanDerWaalsContact C-N 3.31Å |
| 138 | I | 91.9 | Very high | 85.9 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -72 | 140.3 | 169.9 | -70.4 | 166.8 | 0 | 0 | 0 | 109.7 | F114 F134 Y140 | F114-I138 HydrophobicContact CB-CG2 3.75Å; F134-I138 HydrophobicContact CD1-CD1 4.07Å; F134-I138 HydrophobicContact CD2-CG1 4.45Å; F134-I138 HydrophobicContact CE1-CD1 3.42Å; F134-I138 VanDerWaalsContact CE1-CD1 3.42Å; F134-I138 HydrophobicContact CE1-CG1 4.09Å; F134-I138 HydrophobicContact CE2-CD1 4.17Å; F134-I138 HydrophobicContact CE2-CG1 3.91Å; F134-I138 HydrophobicContact CZ-CD1 3.44Å; F134-I138 VanDerWaalsContact CZ-CD1 3.44Å; F134-I138 HydrophobicContact CZ-CG1 3.68Å; F134-I138 WeakPolarHBondContact O-CG1 3.1Å; F134-I138 PolarHBondContact O-N 2.87Å; I138-Y140 HydrophobicContact CB-CD1 4.43Å; I138-Y140 HydrophobicContact CB-CD2 4.34Å; I138-Y140 HydrophobicContact CB-CE1 3.96Å; I138-Y140 HydrophobicContact CB-CE2 3.88Å; I138-Y140 HydrophobicContact CD1-CE1 4.18Å; I138-Y140 HydrophobicContact CG2-CD1 3.64Å; I138-Y140 HydrophobicContact CG2-CD2 4.22Å; I138-Y140 HydrophobicContact CG2-CE1 3.5Å; I138-Y140 VanDerWaalsContact CG2-CE1 3.5Å; I138-Y140 HydrophobicContact CG2-CE2 4.12Å; I138-Y140 HydrophobicContact CG2-CG 4.02Å; I138-Y140 WeakPolarHBondContact O-CD2 2.9Å; I138-Y140 PolarHBondContact O-N 3.04Å |
| 139 | F | 93 | Very high | 85.4 | Confident | 80 Ų | 80 | 62 Ų | 62 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 97.7 | 168.6 | -170 | -100.5 | 0 | 0 | 0 | 109.4 | Q111 F112 E113 F114 L141 | Q111-F139 HydrophobicContact CB-CB 3.89Å; F112-F139 PolarHBondContact O-N 2.92Å; E113-F139 HydrophobicContact CG-CB 4.18Å; E113-F139 HydrophobicContact CG-CD1 4Å; E113-F139 HydrophobicContact CG-CG 4.45Å; F114-F139 PolarHBondContact N-O 2.96Å; F139-L141 HydrophobicContact CD1-CD2 4.04Å; F139-L141 HydrophobicContact CD1-CG 3.95Å; F139-L141 HydrophobicContact CE1-CD2 3.52Å; F139-L141 HydrophobicContact CE1-CG 3.97Å; F139-L141 PolarHBondContact O-N 3.08Å |
| 140 | Y | 91.6 | Very high | 84.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.8 | -178.2 | -64.7 | -72.5 | 0 | 0 | 0 | 111.2 | F114 F135 I138 F151 D169 M170 | F114-Y140 HydrophobicContact CD1-CD1 4.06Å; F114-Y140 AromaticContact CD1-CE1 3.98Å; F114-Y140 HydrophobicContact CD1-CE1 3.98Å; F135-Y140 VanDerWaalsContact O-CE2 3.3Å; F135-Y140 WeakPolarHBondContact O-CE2 3.47Å; F135-Y140 PolarHBondContact O-OH 3.4Å; I138-Y140 HydrophobicContact CB-CD1 4.43Å; I138-Y140 HydrophobicContact CB-CD2 4.34Å; I138-Y140 HydrophobicContact CB-CE1 3.96Å; I138-Y140 HydrophobicContact CB-CE2 3.88Å; I138-Y140 HydrophobicContact CD1-CE1 4.18Å; I138-Y140 HydrophobicContact CG2-CD1 3.64Å; I138-Y140 HydrophobicContact CG2-CD2 4.22Å; I138-Y140 HydrophobicContact CG2-CE1 3.5Å; I138-Y140 VanDerWaalsContact CG2-CE1 3.5Å; I138-Y140 HydrophobicContact CG2-CE2 4.12Å; I138-Y140 HydrophobicContact CG2-CG 4.02Å; I138-Y140 WeakPolarHBondContact O-CD2 2.9Å; I138-Y140 PolarHBondContact O-N 3.04Å; Y140-F151 AromaticContact CD1-CE1 3.76Å; Y140-F151 HydrophobicContact CD1-CE1 3.76Å; Y140-F151 AromaticContact CD1-CZ 3.77Å; Y140-F151 HydrophobicContact CD1-CZ 3.77Å; Y140-F151 HydrophobicContact CD2-CZ 4.41Å; Y140-F151 AromaticContact CE1-CE1 3.41Å; Y140-F151 HydrophobicContact CE1-CE1 3.41Å; Y140-F151 VanDerWaalsContact CE1-CE1 3.41Å; Y140-F151 AromaticContact CE1-CZ 3.89Å; Y140-F151 HydrophobicContact CE1-CZ 3.89Å; Y140-F151 HydrophobicContact CE2-CE1 4.41Å; Y140-F151 HydrophobicContact CE2-CZ 4.5Å; Y140-F151 HydrophobicContact CG-CE1 4.4Å; Y140-F151 HydrophobicContact CG-CZ 4.03Å; Y140-F151 AromaticContact CZ-CE1 3.74Å; Y140-D169 HydrophobicContact CD2-CB 4.18Å; Y140-D169 HydrophobicContact CG-CB 4.48Å; Y140-M170 HydrophobicContact CD2-CG 4.29Å; Y140-M170 HydrophobicContact CE2-CE 4.45Å; Y140-M170 HydrophobicContact CE2-CG 3.81Å; Y140-M170 HydrophobicContact CE2-SD 4.07Å |
| 141 | L | 88.5 | Confident | 84.7 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 100 | 174.2 | -72 | 165.9 | 0 | 0 | 0 | 108.6 | V85 E113 F114 C115 C116 F139 | V85-L141 HydrophobicContact CG1-CD1 4.3Å; E113-L141 HydrophobicContact CB-CD1 4.14Å; F114-L141 PolarHBondContact O-N 2.9Å; C115-L141 WeakPolarHBondContact CA-O 3.46Å; C115-L141 HydrophobicContact CB-CB 4.22Å; C115-L141 WeakPolarHBondContact SG-CB 3.43Å; C115-L141 WeakPolarHBondContact SG-CD1 3.31Å; C116-L141 PolarHBondContact N-O 2.9Å; F139-L141 HydrophobicContact CD1-CD2 4.04Å; F139-L141 HydrophobicContact CD1-CG 3.95Å; F139-L141 HydrophobicContact CE1-CD2 3.52Å; F139-L141 HydrophobicContact CE1-CG 3.97Å; F139-L141 PolarHBondContact O-N 3.08Å |
| 142 | T | 81.8 | Confident | 84.8 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | trans | -88 | 160.7 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 143 | D | 73.1 | Confident | 85.1 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | trans | -60.2 | 143.1 | 169.7 | 174.8 | -93 | 0 | 0 | 0 | 111.2 | Y117 H145 T146 S147 | Y117-D143 HydrophobicContact CD1-CB 4.22Å; Y117-D143 HydrophobicContact CD2-CB 4Å; Y117-D143 HydrophobicContact CG-CB 3.76Å; D143-H145 VanDerWaalsContact C-N 3.29Å; D143-H145 PolarHBondContact O-N 2.82Å; D143-H145 VanDerWaalsContact OD1-CA 3.23Å; D143-H145 WeakPolarHBondContact OD1-CA 3.32Å; D143-H145 WeakPolarHBondContact OD1-CB 3.45Å; D143-H145 IonicContact OD1-CD2 3.25Å; D143-H145 IonicContact OD1-CG 2.84Å; D143-H145 PolarHBondContact OD1-N 2.96Å; D143-T146 PolarHBondContact OD1-N 2.89Å; D143-S147 WeakPolarHBondContact O-CA 3.49Å; D143-S147 PolarHBondContact O-N 3.2Å | ||
| 144 | R | 66 | Low | 85.3 | Confident | 238 Ų | 238 | 57.3 Ų | 57.3 | 90% | 0.898 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.1 | -176.8 | -70.3 | -173.2 | -178.7 | -174 | 1.5 | 113.7 | ||
| 145 | H | 66.5 | Low | 85.6 | Confident | 176 Ų | 176 | 60 Ų | 60 | 82% | 0.815 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -45 | -177.9 | -57.6 | -71.6 | 0 | 0 | 0 | 112 | D143 | D143-H145 VanDerWaalsContact C-N 3.29Å; D143-H145 PolarHBondContact O-N 2.82Å; D143-H145 VanDerWaalsContact OD1-CA 3.23Å; D143-H145 WeakPolarHBondContact OD1-CA 3.32Å; D143-H145 WeakPolarHBondContact OD1-CB 3.45Å; D143-H145 IonicContact OD1-CD2 3.25Å; D143-H145 IonicContact OD1-CG 2.84Å; D143-H145 PolarHBondContact OD1-N 2.96Å |
| 146 | T | 68.8 | Low | 85.8 | Confident | 83 Ų | 83 | 60 Ų | 60 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -28 | 179.9 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | D143 T148 | D143-T146 PolarHBondContact OD1-N 2.89Å; T146-T148 WeakPolarHBondContact CB-OG1 3.38Å; T146-T148 WeakPolarHBondContact O-CG2 3.15Å; T146-T148 PolarHBondContact O-N 3.32Å; T146-T148 PolarHBondContact OG1-N 3.34Å; T146-T148 PolarHBondContact OG1-OG1 2.92Å; T146-T148 VanDerWaalsContact OG1-OG1 3.04Å |
| 147 | S | 68.4 | Low | 86.1 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | trans | 52.7 | 29 | -170.9 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | D143 | D143-S147 WeakPolarHBondContact O-CA 3.49Å; D143-S147 PolarHBondContact O-N 3.2Å | ||
| 148 | T | 77.1 | Confident | 86.4 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | trans | -125.2 | 150.1 | -177.5 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | T146 | T146-T148 WeakPolarHBondContact CB-OG1 3.38Å; T146-T148 WeakPolarHBondContact O-CG2 3.15Å; T146-T148 PolarHBondContact O-N 3.32Å; T146-T148 PolarHBondContact OG1-N 3.34Å; T146-T148 PolarHBondContact OG1-OG1 2.92Å; T146-T148 VanDerWaalsContact OG1-OG1 3.04Å | ||
| 149 | C | 87.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | trans | -126.9 | 146.4 | 164.3 | -72.8 | 0 | 0 | 0 | 0 | 109.5 | C116 Y117 F151 | C116-C149 VanDerWaalsContact CA-SG 3.54Å; C116-C149 HydrophobicContact CB-CB 3.67Å; C116-C149 WeakPolarHBondContact CB-SG 3.49Å; C116-C149 WeakPolarHBondContact SG-CB 3.38Å; C116-C149 CovalentContact SG-SG 2.01Å; C116-C149 PolarHBondContact SG-SG 3.36Å; Y117-C149 PolarHBondContact N-SG 3.22Å; C149-F151 HydrophobicContact CB-CD2 4.28Å; C149-F151 HydrophobicContact CB-CE1 4.2Å; C149-F151 HydrophobicContact CB-CE2 3.53Å; C149-F151 HydrophobicContact CB-CZ 3.49Å; C149-F151 VanDerWaalsContact CB-CZ 3.49Å; C149-F151 WeakPolarHBondContact O-CD2 3.5Å; C149-F151 WeakPolarHBondContact O-CE2 3.3Å; C149-F151 PolarHBondContact O-N 2.8Å | ||
| 150 | P | 88.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | trans | -65.9 | 124.9 | 170.3 | -18 | 30.6 | 0 | 0 | 0 | 110.3 | C116 G120 L121 | C116-P150 WeakPolarHBondContact O-CD 3.18Å; G120-P150 CarbonylContact C-O 3.32Å; G120-P150 WeakPolarHBondContact CA-O 3.47Å; L121-P150 PolarHBondContact N-O 3.47Å | ||
| 151 | F | 92.3 | Very high | 87 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.7 | 175.4 | -65.1 | -68.8 | 0 | 0 | 0 | 109.7 | L121 Y140 C149 F153 D169 M170 I173 K174 | L121-F151 HydrophobicContact CB-CD1 3.94Å; L121-F151 HydrophobicContact CB-CE1 4.23Å; L121-F151 HydrophobicContact CD2-CD1 4.49Å; L121-F151 WeakPolarHBondContact O-CA 3.16Å; Y140-F151 AromaticContact CD1-CE1 3.76Å; Y140-F151 HydrophobicContact CD1-CE1 3.76Å; Y140-F151 AromaticContact CD1-CZ 3.77Å; Y140-F151 HydrophobicContact CD1-CZ 3.77Å; Y140-F151 HydrophobicContact CD2-CZ 4.41Å; Y140-F151 AromaticContact CE1-CE1 3.41Å; Y140-F151 HydrophobicContact CE1-CE1 3.41Å; Y140-F151 VanDerWaalsContact CE1-CE1 3.41Å; Y140-F151 AromaticContact CE1-CZ 3.89Å; Y140-F151 HydrophobicContact CE1-CZ 3.89Å; Y140-F151 HydrophobicContact CE2-CE1 4.41Å; Y140-F151 HydrophobicContact CE2-CZ 4.5Å; Y140-F151 HydrophobicContact CG-CE1 4.4Å; Y140-F151 HydrophobicContact CG-CZ 4.03Å; Y140-F151 AromaticContact CZ-CE1 3.74Å; C149-F151 HydrophobicContact CB-CD2 4.28Å; C149-F151 HydrophobicContact CB-CE1 4.2Å; C149-F151 HydrophobicContact CB-CE2 3.53Å; C149-F151 HydrophobicContact CB-CZ 3.49Å; C149-F151 VanDerWaalsContact CB-CZ 3.49Å; C149-F151 WeakPolarHBondContact O-CD2 3.5Å; C149-F151 WeakPolarHBondContact O-CE2 3.3Å; C149-F151 PolarHBondContact O-N 2.8Å; F151-F153 HydrophobicContact CB-CE2 4.4Å; F151-D169 VanDerWaalsContact CE2-O 3.27Å; F151-D169 WeakPolarHBondContact CE2-O 3.36Å; F151-M170 HydrophobicContact CB-CE 4.41Å; F151-M170 HydrophobicContact CD1-CE 3.52Å; F151-M170 HydrophobicContact CD2-CB 4.23Å; F151-M170 HydrophobicContact CD2-CG 4.48Å; F151-M170 HydrophobicContact CE1-CE 3.88Å; F151-M170 HydrophobicContact CE1-CG 4.32Å; F151-M170 HydrophobicContact CE2-CB 4.19Å; F151-M170 HydrophobicContact CE2-CG 4.19Å; F151-M170 HydrophobicContact CG-CE 3.95Å; F151-M170 HydrophobicContact CZ-CG 4.09Å; F151-I173 HydrophobicContact CB-CB 3.97Å; F151-I173 HydrophobicContact CB-CG1 4.02Å; F151-K174 PolarHBondContact O-N 3.23Å |
| 152 | L | 94.2 | Very high | 87.2 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.7 | -178.9 | -175.5 | 61.8 | 0 | 0 | 0 | 110.9 | L121 T122 V123 V124 E154 K174 | L121-L152 PolarHBondContact O-N 2.01Å; T122-L152 CarbonylContact C-O 3.42Å; T122-L152 WeakPolarHBondContact CA-O 3.5Å; T122-L152 HydrophobicContact CG2-CB 4.35Å; T122-L152 HydrophobicContact CG2-CD2 4.03Å; T122-L152 HydrophobicContact CG2-CG 4.45Å; V123-L152 PolarHBondContact N-O 3.14Å; V124-L152 HydrophobicContact CG1-CD2 4.11Å; V124-L152 HydrophobicContact CG1-CG 4.16Å; L152-E154 HydrophobicContact CD1-CG 3.6Å; L152-E154 WeakPolarHBondContact CD1-OE1 3.25Å; L152-E154 HydrophobicContact CG-CG 4.1Å; L152-K174 HydrophobicContact CD1-CB 3.88Å; L152-K174 HydrophobicContact CD1-CD 3.69Å; L152-K174 HydrophobicContact CD1-CG 3.86Å |
| 153 | F | 96.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 104.3 | 175 | -68.4 | -100.1 | 0 | 0 | 0 | 109.4 | L121 V123 F135 F151 L159 T161 L164 M170 I173 K174 S175 I176 N178 | L121-F153 HydrophobicContact CD2-CE2 4.4Å; L121-F153 HydrophobicContact CD2-CZ 3.82Å; L121-F153 HydrophobicContact CG-CZ 4.45Å; V123-F153 HydrophobicContact CB-CD1 3.68Å; V123-F153 HydrophobicContact CB-CE1 3.85Å; V123-F153 HydrophobicContact CB-CG 4.35Å; V123-F153 HydrophobicContact CG1-CD1 4.15Å; V123-F153 HydrophobicContact CG1-CE1 4.34Å; V123-F153 HydrophobicContact CG2-CD1 3.96Å; V123-F153 HydrophobicContact CG2-CE1 3.58Å; V123-F153 HydrophobicContact CG2-CZ 4.06Å; V123-F153 CarbonylContact O-C 3.3Å; V123-F153 VanDerWaalsContact O-CA 3.28Å; V123-F153 WeakPolarHBondContact O-CA 3.36Å; F135-F153 HydrophobicContact CB-CE1 4.44Å; F135-F153 HydrophobicContact CB-CZ 4.17Å; F135-F153 HydrophobicContact CD1-CE1 4.2Å; F135-F153 HydrophobicContact CD1-CZ 4.2Å; F135-F153 AromaticContact CD2-CE1 3.68Å; F135-F153 HydrophobicContact CD2-CE1 3.68Å; F135-F153 HydrophobicContact CD2-CZ 4.24Å; F135-F153 HydrophobicContact CE1-CE1 4.31Å; F135-F153 AromaticContact CE2-CE1 3.85Å; F135-F153 HydrophobicContact CE2-CE1 3.85Å; F135-F153 AromaticContact CG-CE1 3.85Å; F135-F153 HydrophobicContact CG-CE1 3.85Å; F135-F153 AromaticContact CG-CZ 3.95Å; F135-F153 HydrophobicContact CG-CZ 3.95Å; F135-F153 HydrophobicContact CZ-CE1 4.13Å; F151-F153 HydrophobicContact CB-CE2 4.4Å; F153-L159 HydrophobicContact CD1-CD2 3.87Å; F153-L159 HydrophobicContact CE1-CD2 4.27Å; F153-T161 HydrophobicContact CB-CG2 3.94Å; F153-T161 HydrophobicContact CD1-CG2 3.8Å; F153-T161 HydrophobicContact CG-CG2 4.01Å; F153-L164 HydrophobicContact CD1-CD1 4.38Å; F153-L164 HydrophobicContact CE1-CD1 3.95Å; F153-L164 HydrophobicContact CE2-CD1 4.1Å; F153-L164 HydrophobicContact CZ-CD1 3.79Å; F153-M170 HydrophobicContact CE2-CE 3.65Å; F153-M170 HydrophobicContact CZ-CE 3.87Å; F153-I173 HydrophobicContact CD2-CD1 3.61Å; F153-I173 HydrophobicContact CD2-CG1 3.88Å; F153-I173 HydrophobicContact CE2-CD1 3.74Å; F153-I173 HydrophobicContact CE2-CG1 4.25Å; F153-K174 PolarHBondContact N-O 3.21Å; F153-S175 CarbonylContact O-C 3.56Å; F153-S175 VanDerWaalsContact O-CA 3.25Å; F153-S175 WeakPolarHBondContact O-CA 3.41Å; F153-I176 PolarHBondContact O-N 3.37Å; F153-N178 PolarHBondContact O-ND2 2.86Å |
| 154 | E | 96.7 | Very high | 88.4 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.1 | -177.3 | -62.2 | -174.4 | 162.1 | 0 | 0 | 113.4 | V123 V124 N125 L152 N156 K174 I176 | V123-E154 PolarHBondContact O-N 3.33Å; V124-E154 CarbonylContact C-O 3.55Å; V124-E154 WeakPolarHBondContact CA-O 3.48Å; V124-E154 HydrophobicContact CG1-CB 3.97Å; N125-E154 PolarHBondContact N-O 2.95Å; L152-E154 HydrophobicContact CD1-CG 3.6Å; L152-E154 WeakPolarHBondContact CD1-OE1 3.25Å; L152-E154 HydrophobicContact CG-CG 4.1Å; E154-N156 VanDerWaalsContact C-N 3.31Å; E154-N156 PolarHBondContact N-ND2 3.11Å; E154-N156 PolarHBondContact O-N 3.43Å; E154-N156 PolarHBondContact O-ND2 3.33Å; E154-N156 VanDerWaalsContact O-ND2 3.11Å; E154-K174 WeakPolarHBondContact OE1-CE 3.2Å; E154-K174 IonicContact OE1-NZ 3.88Å; E154-K174 PolarHBondContact OE1-NZ 3.18Å; E154-I176 CarbonylContact C-O 3.43Å; E154-I176 VanDerWaalsContact CA-O 3.25Å; E154-I176 WeakPolarHBondContact CA-O 3.28Å; E154-I176 HydrophobicContact CG-CB 4.43Å |
| 155 | N | 98.2 | Very high | 89.4 | Confident | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 55.2 | 41 | 170.8 | -54.1 | -39 | 0 | 0 | 0 | 114 | N125 P157 I176 G177 | N125-N155 WeakPolarHBondContact CA-O 3.21Å; N125-N155 WeakPolarHBondContact OD1-CB 3.25Å; N125-N155 PolarHBondContact OD1-ND2 3.48Å; N155-P157 WeakPolarHBondContact O-CD 3.05Å; N155-I176 PolarHBondContact N-O 3.4Å; N155-G177 WeakPolarHBondContact CA-O 3.19Å |
| 156 | N | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -105.1 | 83.5 | 172.2 | -49 | -79.5 | 0 | 0 | 0 | 109 | V123 N126 E154 K158 L159 N178 L179 | V123-N156 PolarHBondContact O-ND2 3.1Å; N126-N156 VanDerWaalsContact CB-OD1 3.22Å; N126-N156 WeakPolarHBondContact CB-OD1 3.11Å; N126-N156 PolarHBondContact N-OD1 3.25Å; N126-N156 PolarHBondContact ND2-OD1 3.12Å; E154-N156 VanDerWaalsContact C-N 3.31Å; E154-N156 PolarHBondContact N-ND2 3.11Å; E154-N156 PolarHBondContact O-N 3.43Å; E154-N156 PolarHBondContact O-ND2 3.33Å; E154-N156 VanDerWaalsContact O-ND2 3.11Å; N156-K158 PolarHBondContact O-N 3.09Å; N156-L159 HydrophobicContact CB-CB 3.7Å; N156-L159 HydrophobicContact CB-CD2 4.12Å; N156-L159 PolarHBondContact O-N 3.35Å; N156-N178 VanDerWaalsContact CB-OD1 3.25Å; N156-N178 WeakPolarHBondContact CB-OD1 3.5Å; N156-N178 PolarHBondContact N-OD1 3.12Å; N156-N178 PolarHBondContact ND2-OD1 3.06Å; N156-N178 VanDerWaalsContact O-CA 3.31Å; N156-N178 WeakPolarHBondContact O-CA 3.49Å; N156-L179 PolarHBondContact O-N 3.21Å | ||
| 157 | P | 98.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.4 | -163.8 | 25.7 | -37.1 | 0 | 0 | 0 | 115 | L127 N155 L179 | L127-P157 HydrophobicContact CD2-CG 4.02Å; N155-P157 WeakPolarHBondContact O-CD 3.05Å; P157-L179 WeakPolarHBondContact O-CB 3.16Å |
| 158 | K | 98.2 | Very high | 91.7 | Very high | 100 Ų | 100 | 51 Ų | 51 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -2.7 | 179.1 | -62.1 | -174.3 | -175.9 | 168.7 | 0 | 114 | L127 L129 T130 N156 | L127-K158 WeakPolarHBondContact O-CD 3.46Å; L127-K158 WeakPolarHBondContact O-CE 3.46Å; L129-K158 CarbonylContact O-C 3.55Å; L129-K158 WeakPolarHBondContact O-CB 3.48Å; T130-K158 HydrophobicContact CG2-CB 3.74Å; T130-K158 HydrophobicContact CG2-CD 4.31Å; N156-K158 PolarHBondContact O-N 3.09Å |
| 159 | L | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -94.3 | 120 | -179.2 | -177.5 | 63.9 | 0 | 0 | 0 | 110 | V123 L129 F132 F135 F153 N156 T161 N178 L179 | V123-L159 HydrophobicContact CG1-CD2 4.21Å; L129-L159 HydrophobicContact CD2-CD2 4.02Å; L129-L159 HydrophobicContact CG-CD1 4.31Å; L129-L159 HydrophobicContact CG-CD2 4.48Å; L129-L159 PolarHBondContact O-N 3.43Å; F132-L159 HydrophobicContact CB-CD1 3.75Å; F135-L159 HydrophobicContact CE2-CD1 4.2Å; F135-L159 HydrophobicContact CE2-CD2 3.94Å; F153-L159 HydrophobicContact CD1-CD2 3.87Å; F153-L159 HydrophobicContact CE1-CD2 4.27Å; N156-L159 HydrophobicContact CB-CB 3.7Å; N156-L159 HydrophobicContact CB-CD2 4.12Å; N156-L159 PolarHBondContact O-N 3.35Å; L159-T161 HydrophobicContact CD2-CG2 3.91Å; L159-T161 HydrophobicContact CG-CG2 3.96Å; L159-T161 PolarHBondContact O-N 2.92Å; L159-N178 WeakPolarHBondContact O-CB 3.35Å; L159-L179 VanDerWaalsContact O-CB 3.28Å; L159-L179 WeakPolarHBondContact O-CB 3.37Å; L159-L179 PolarHBondContact O-N 2.97Å | ||
| 160 | D | 96.5 | Very high | 91.9 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -86.2 | 104.1 | 171.7 | -179 | -10.2 | 0 | 0 | 0 | 109.3 | F132 G162 L179 K180 | F132-D160 VanDerWaalsContact CB-O 3.32Å; F132-D160 WeakPolarHBondContact CB-O 3.38Å; F132-D160 WeakPolarHBondContact CG-O 3.47Å; D160-G162 PolarHBondContact OD1-N 2.96Å; D160-L179 HydrophobicContact CB-CD2 4.34Å; D160-K180 WeakPolarHBondContact OD1-CB 3.35Å |
| 161 | T | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -93.1 | -4 | 176.6 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | F153 L159 K163 L164 S175 N178 K180 D181 C182 | F153-T161 HydrophobicContact CB-CG2 3.94Å; F153-T161 HydrophobicContact CD1-CG2 3.8Å; F153-T161 HydrophobicContact CG-CG2 4.01Å; L159-T161 HydrophobicContact CD2-CG2 3.91Å; L159-T161 HydrophobicContact CG-CG2 3.96Å; L159-T161 PolarHBondContact O-N 2.92Å; T161-K163 PolarHBondContact O-N 3.35Å; T161-L164 HydrophobicContact CG2-CD1 4.14Å; T161-L164 VanDerWaalsContact O-CB 3.28Å; T161-L164 WeakPolarHBondContact O-CB 3.47Å; T161-L164 WeakPolarHBondContact O-CG 3.41Å; T161-L164 PolarHBondContact O-N 3.04Å; T161-S175 PolarHBondContact OG1-OG 3.32Å; T161-N178 HydrophobicContact CG2-CB 4.14Å; T161-K180 PolarHBondContact N-O 2.88Å; T161-K180 PolarHBondContact OG1-O 2.67Å; T161-D181 WeakPolarHBondContact OG1-CA 3.25Å; T161-C182 WeakPolarHBondContact O-CB 3.35Å; T161-C182 PolarHBondContact OG1-N 3.2Å | ||
| 162 | G | 92 | Very high | 90.7 | Very high | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D160 C165 K180 | D160-G162 PolarHBondContact OD1-N 2.96Å; G162-C165 PolarHBondContact O-SG 2.98Å; G162-K180 PolarHBondContact N-O 3.03Å |
| 163 | K | 89.5 | Confident | 90.3 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -11.6 | 173.1 | -67.9 | 178.6 | -178.2 | 172.9 | 0 | 113.7 | F132 T161 C165 K166 | F132-K163 HydrophobicContact CE1-CD 4.48Å; F132-K163 HydrophobicContact CE2-CB 4.03Å; F132-K163 HydrophobicContact CE2-CD 4.23Å; F132-K163 HydrophobicContact CZ-CB 4.38Å; F132-K163 HydrophobicContact CZ-CD 3.74Å; T161-K163 PolarHBondContact O-N 3.35Å; K163-C165 VanDerWaalsContact C-N 3.3Å; K163-C165 PolarHBondContact O-N 2.97Å; K163-K166 PolarHBondContact O-N 3.42Å |
| 164 | L | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -70.3 | -24.9 | -178 | -60.9 | -177.6 | 0 | 0 | 0 | 112.4 | F132 F135 R136 F153 T161 K166 V167 M170 I173 | F132-L164 HydrophobicContact CD2-CD2 4.04Å; F135-L164 HydrophobicContact CB-CD1 4.44Å; F135-L164 HydrophobicContact CB-CD2 4.29Å; R136-L164 HydrophobicContact CB-CD2 4.2Å; F153-L164 HydrophobicContact CD1-CD1 4.38Å; F153-L164 HydrophobicContact CE1-CD1 3.95Å; F153-L164 HydrophobicContact CE2-CD1 4.1Å; F153-L164 HydrophobicContact CZ-CD1 3.79Å; T161-L164 HydrophobicContact CG2-CD1 4.14Å; T161-L164 VanDerWaalsContact O-CB 3.28Å; T161-L164 WeakPolarHBondContact O-CB 3.47Å; T161-L164 WeakPolarHBondContact O-CG 3.41Å; T161-L164 PolarHBondContact O-N 3.04Å; L164-K166 PolarHBondContact O-N 3Å; L164-K166 VanDerWaalsContact O-N 3.09Å; L164-V167 HydrophobicContact CD2-CG2 4.33Å; L164-V167 WeakPolarHBondContact O-CB 3.29Å; L164-V167 PolarHBondContact O-N 3.45Å; L164-M170 HydrophobicContact CB-SD 4.05Å; L164-M170 HydrophobicContact CD1-CE 4.3Å; L164-M170 HydrophobicContact CD1-SD 4.39Å; L164-M170 HydrophobicContact CD2-SD 3.95Å; L164-M170 HydrophobicContact CG-SD 4.34Å; L164-I173 HydrophobicContact CB-CD1 3.65Å; L164-I173 HydrophobicContact CD1-CD1 3.87Å; L164-I173 HydrophobicContact CG-CD1 4.42Å |
| 165 | C | 85.3 | Confident | 89.8 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -61.4 | -19.6 | 173.1 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | G162 K163 C182 V202 | G162-C165 PolarHBondContact O-SG 2.98Å; K163-C165 VanDerWaalsContact C-N 3.3Å; K163-C165 PolarHBondContact O-N 2.97Å; C165-C182 WeakPolarHBondContact CA-SG 3.35Å; C165-C182 WeakPolarHBondContact CB-SG 3.4Å; C165-C182 PolarHBondContact N-SG 3.24Å; C165-V202 HydrophobicContact CB-CB 4.5Å; C165-V202 HydrophobicContact CB-CG2 4.04Å |
| 166 | K | 84.5 | Confident | 89.5 | Confident | 179 Ų | 179 | 49.7 Ų | 49.7 | 78% | 0.778 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -92.8 | -6.1 | 179.2 | -57.6 | -174.2 | -179.4 | -173.4 | 0 | 112.2 | K163 L164 K168 | K163-K166 PolarHBondContact O-N 3.42Å; L164-K166 PolarHBondContact O-N 3Å; L164-K166 VanDerWaalsContact O-N 3.09Å; K166-K168 PolarHBondContact O-N 3.46Å |
| 167 | V | 86.8 | Confident | 89.3 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | trans | -79.3 | 115.2 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | R136 L164 D169 M170 | R136-V167 HydrophobicContact CB-CG2 4.32Å; R136-V167 HydrophobicContact CG-CG2 3.75Å; L164-V167 HydrophobicContact CD2-CG2 4.33Å; L164-V167 WeakPolarHBondContact O-CB 3.29Å; L164-V167 PolarHBondContact O-N 3.45Å; V167-D169 PolarHBondContact O-N 3.44Å; V167-M170 HydrophobicContact CB-CB 4.11Å; V167-M170 HydrophobicContact CB-CG 3.95Å; V167-M170 HydrophobicContact CB-SD 4.12Å; V167-M170 HydrophobicContact CG1-CB 4.31Å; V167-M170 HydrophobicContact CG1-CG 3.74Å; V167-M170 HydrophobicContact CG1-SD 4.17Å; V167-M170 HydrophobicContact CG2-SD 4.4Å; V167-M170 PolarHBondContact O-N 2.83Å | ||
| 168 | K | 80.9 | Confident | 89.2 | Confident | 188 Ų | 188 | 49.1 Ų | 49.1 | 82% | 0.817 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -40.5 | -173.4 | -175.5 | -172.3 | 173.2 | -164.1 | 0 | 112.5 | K166 M170 | K166-K168 PolarHBondContact O-N 3.46Å; K168-M170 VanDerWaalsContact C-N 3.32Å |
| 169 | D | 83.1 | Confident | 89.2 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | -173.4 | -48 | -45.2 | 0 | 0 | 0 | 113 | Y140 F151 V167 S171 | Y140-D169 HydrophobicContact CD2-CB 4.18Å; Y140-D169 HydrophobicContact CG-CB 4.48Å; F151-D169 VanDerWaalsContact CE2-O 3.27Å; F151-D169 WeakPolarHBondContact CE2-O 3.36Å; V167-D169 PolarHBondContact O-N 3.44Å; D169-S171 VanDerWaalsContact C-N 3.34Å; D169-S171 PolarHBondContact O-N 2.71Å |
| 170 | M | 85.8 | Confident | 89 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | trans | -97.8 | 39 | 176.6 | -60.8 | -171.2 | 91.2 | 0 | 0 | 112.7 | Y140 F151 F153 L164 V167 K168 I173 | Y140-M170 HydrophobicContact CD2-CG 4.29Å; Y140-M170 HydrophobicContact CE2-CE 4.45Å; Y140-M170 HydrophobicContact CE2-CG 3.81Å; Y140-M170 HydrophobicContact CE2-SD 4.07Å; F151-M170 HydrophobicContact CB-CE 4.41Å; F151-M170 HydrophobicContact CD1-CE 3.52Å; F151-M170 HydrophobicContact CD2-CB 4.23Å; F151-M170 HydrophobicContact CD2-CG 4.48Å; F151-M170 HydrophobicContact CE1-CE 3.88Å; F151-M170 HydrophobicContact CE1-CG 4.32Å; F151-M170 HydrophobicContact CE2-CB 4.19Å; F151-M170 HydrophobicContact CE2-CG 4.19Å; F151-M170 HydrophobicContact CG-CE 3.95Å; F151-M170 HydrophobicContact CZ-CG 4.09Å; F153-M170 HydrophobicContact CE2-CE 3.65Å; F153-M170 HydrophobicContact CZ-CE 3.87Å; L164-M170 HydrophobicContact CB-SD 4.05Å; L164-M170 HydrophobicContact CD1-CE 4.3Å; L164-M170 HydrophobicContact CD1-SD 4.39Å; L164-M170 HydrophobicContact CD2-SD 3.95Å; L164-M170 HydrophobicContact CG-SD 4.34Å; V167-M170 HydrophobicContact CB-CB 4.11Å; V167-M170 HydrophobicContact CB-CG 3.95Å; V167-M170 HydrophobicContact CB-SD 4.12Å; V167-M170 HydrophobicContact CG1-CB 4.31Å; V167-M170 HydrophobicContact CG1-CG 3.74Å; V167-M170 HydrophobicContact CG1-SD 4.17Å; V167-M170 HydrophobicContact CG2-SD 4.4Å; V167-M170 PolarHBondContact O-N 2.83Å; K168-M170 VanDerWaalsContact C-N 3.32Å; M170-I173 HydrophobicContact CE-CD1 4.14Å; M170-I173 WeakPolarHBondContact O-CG2 3.38Å | ||
| 171 | S | 78.2 | Confident | 88.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 136.2 | 170.2 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | D169 | D169-S171 VanDerWaalsContact C-N 3.34Å; D169-S171 PolarHBondContact O-N 2.71Å |
| 172 | G | 76.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 13.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K174 T225 | G172-K174 PolarHBondContact O-N 3.45Å; G172-T225 WeakPolarHBondContact CA-OG1 3.43Å; G172-T225 VanDerWaalsContact N-CB 3.34Å |
| 173 | I | 87.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 125.3 | 174.7 | -176.6 | 172 | 0 | 0 | 0 | 112 | F151 F153 L164 M170 C182 Y204 | F151-I173 HydrophobicContact CB-CB 3.97Å; F151-I173 HydrophobicContact CB-CG1 4.02Å; F153-I173 HydrophobicContact CD2-CD1 3.61Å; F153-I173 HydrophobicContact CD2-CG1 3.88Å; F153-I173 HydrophobicContact CE2-CD1 3.74Å; F153-I173 HydrophobicContact CE2-CG1 4.25Å; L164-I173 HydrophobicContact CB-CD1 3.65Å; L164-I173 HydrophobicContact CD1-CD1 3.87Å; L164-I173 HydrophobicContact CG-CD1 4.42Å; M170-I173 HydrophobicContact CE-CD1 4.14Å; M170-I173 WeakPolarHBondContact O-CG2 3.38Å; I173-C182 HydrophobicContact CD1-CB 4.18Å; I173-C182 HydrophobicContact CG2-CB 4.42Å; I173-C182 WeakPolarHBondContact CG2-SG 3.23Å; I173-Y204 WeakPolarHBondContact O-CB 3.39Å |
| 174 | K | 89.7 | Confident | 88.4 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 32% | 0.317 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.3 | 168.3 | -175.1 | 174.4 | 179.3 | -140 | 0 | 108.9 | F151 L152 F153 E154 G172 I176 Y204 | F151-K174 PolarHBondContact O-N 3.23Å; L152-K174 HydrophobicContact CD1-CB 3.88Å; L152-K174 HydrophobicContact CD1-CD 3.69Å; L152-K174 HydrophobicContact CD1-CG 3.86Å; F153-K174 PolarHBondContact N-O 3.21Å; E154-K174 WeakPolarHBondContact OE1-CE 3.2Å; E154-K174 IonicContact OE1-NZ 3.88Å; E154-K174 PolarHBondContact OE1-NZ 3.18Å; G172-K174 PolarHBondContact O-N 3.45Å; K174-I176 HydrophobicContact CG-CD1 4.26Å; K174-I176 HydrophobicContact CG-CG1 4.38Å; K174-Y204 HydrophobicContact CB-CD2 4.49Å; K174-Y204 HydrophobicContact CG-CD2 4.04Å; K174-Y204 HydrophobicContact CG-CE2 4Å |
| 175 | S | 92.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 115.2 | -178 | -179.4 | 0 | 0 | 0 | 0 | 111 | F153 T161 N178 D181 C182 | F153-S175 CarbonylContact O-C 3.56Å; F153-S175 VanDerWaalsContact O-CA 3.25Å; F153-S175 WeakPolarHBondContact O-CA 3.41Å; T161-S175 PolarHBondContact OG1-OG 3.32Å; S175-N178 PolarHBondContact OG-ND2 3.35Å; S175-D181 VanDerWaalsContact C-OD1 3.24Å; S175-D181 WeakPolarHBondContact O-CB 2.94Å; S175-D181 WeakPolarHBondContact OG-CA 3.15Å; S175-D181 PolarHBondContact OG-OD1 3.45Å; S175-C182 PolarHBondContact OG-N 3.32Å; S175-C182 VanDerWaalsContact OG-N 3.08Å |
| 176 | I | 91.9 | Very high | 88 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 131.4 | -176.5 | -49.1 | -177.8 | 0 | 0 | 0 | 111.5 | F153 E154 N155 K174 N178 D181 Y204 | F153-I176 PolarHBondContact O-N 3.37Å; E154-I176 CarbonylContact C-O 3.43Å; E154-I176 VanDerWaalsContact CA-O 3.25Å; E154-I176 WeakPolarHBondContact CA-O 3.28Å; E154-I176 HydrophobicContact CG-CB 4.43Å; N155-I176 PolarHBondContact N-O 3.4Å; K174-I176 HydrophobicContact CG-CD1 4.26Å; K174-I176 HydrophobicContact CG-CG1 4.38Å; I176-N178 VanDerWaalsContact C-N 3.28Å; I176-N178 PolarHBondContact N-ND2 2.02Å; I176-N178 PolarHBondContact O-N 3.14Å; I176-N178 PolarHBondContact O-ND2 3.33Å; I176-D181 VanDerWaalsContact C-OD1 3.3Å; I176-D181 VanDerWaalsContact CA-OD1 3.3Å; I176-D181 WeakPolarHBondContact CA-OD1 2.92Å; I176-D181 WeakPolarHBondContact CA-OD2 3.38Å; I176-D181 PolarHBondContact N-OD1 2.94Å; I176-D181 VanDerWaalsContact N-OD1 3.14Å; I176-Y204 HydrophobicContact CD1-CE2 4.06Å; I176-Y204 WeakPolarHBondContact CD1-OH 3.45Å; I176-Y204 HydrophobicContact CG1-CE1 4.41Å; I176-Y204 HydrophobicContact CG1-CE2 4.42Å; I176-Y204 WeakPolarHBondContact CG1-OH 3.45Å |
| 177 | G | 93.9 | Very high | 87.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 72.4 | 23.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N155 D181 | N155-G177 WeakPolarHBondContact CA-O 3.19Å; G177-D181 PolarHBondContact N-OD1 3.17Å; G177-D181 PolarHBondContact N-OD2 3.27Å |
| 178 | N | 97.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -88.5 | 176.3 | 172.4 | -54.4 | -75.6 | 0 | 0 | 0 | 110.7 | F153 N156 L159 T161 S175 I176 K180 D181 | F153-N178 PolarHBondContact O-ND2 2.86Å; N156-N178 VanDerWaalsContact CB-OD1 3.25Å; N156-N178 WeakPolarHBondContact CB-OD1 3.5Å; N156-N178 PolarHBondContact N-OD1 3.12Å; N156-N178 PolarHBondContact ND2-OD1 3.06Å; N156-N178 VanDerWaalsContact O-CA 3.31Å; N156-N178 WeakPolarHBondContact O-CA 3.49Å; L159-N178 WeakPolarHBondContact O-CB 3.35Å; T161-N178 HydrophobicContact CG2-CB 4.14Å; S175-N178 PolarHBondContact OG-ND2 3.35Å; I176-N178 VanDerWaalsContact C-N 3.28Å; I176-N178 PolarHBondContact N-ND2 2.02Å; I176-N178 PolarHBondContact O-N 3.14Å; I176-N178 PolarHBondContact O-ND2 3.33Å; N178-K180 PolarHBondContact O-N 3.09Å; N178-D181 WeakPolarHBondContact CB-OD1 3.23Å; N178-D181 PolarHBondContact N-OD1 3.09Å; N178-D181 VanDerWaalsContact N-OD1 3.13Å; N178-D181 PolarHBondContact ND2-OD1 2.94Å |
| 179 | L | 96.9 | Very high | 87.2 | Confident | 110 Ų | 110 | 41 Ų | 41 | 58% | 0.576 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -54.3 | -39 | 176.7 | 176.7 | 59.9 | 0 | 0 | 0 | 111.5 | N156 P157 L159 D160 | N156-L179 PolarHBondContact O-N 3.21Å; P157-L179 WeakPolarHBondContact O-CB 3.16Å; L159-L179 VanDerWaalsContact O-CB 3.28Å; L159-L179 WeakPolarHBondContact O-CB 3.37Å; L159-L179 PolarHBondContact O-N 2.97Å; D160-L179 HydrophobicContact CB-CD2 4.34Å |
| 180 | K | 94.3 | Very high | 87.1 | Confident | 126 Ų | 126 | 41.3 Ų | 41.3 | 55% | 0.548 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -149.9 | 128.5 | 168.1 | 177.5 | 177 | -176.2 | 175.9 | 0 | 107.7 | D160 T161 G162 N178 | D160-K180 WeakPolarHBondContact OD1-CB 3.35Å; T161-K180 PolarHBondContact N-O 2.88Å; T161-K180 PolarHBondContact OG1-O 2.67Å; G162-K180 PolarHBondContact N-O 3.03Å; N178-K180 PolarHBondContact O-N 3.09Å |
| 181 | D | 92.4 | Very high | 86.8 | Confident | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -84.2 | 150 | -177.6 | -73.9 | -43.8 | 0 | 0 | 0 | 113.6 | T161 S175 I176 G177 N178 | T161-D181 WeakPolarHBondContact OG1-CA 3.25Å; S175-D181 VanDerWaalsContact C-OD1 3.24Å; S175-D181 WeakPolarHBondContact O-CB 2.94Å; S175-D181 WeakPolarHBondContact OG-CA 3.15Å; S175-D181 PolarHBondContact OG-OD1 3.45Å; I176-D181 VanDerWaalsContact C-OD1 3.3Å; I176-D181 VanDerWaalsContact CA-OD1 3.3Å; I176-D181 WeakPolarHBondContact CA-OD1 2.92Å; I176-D181 WeakPolarHBondContact CA-OD2 3.38Å; I176-D181 PolarHBondContact N-OD1 2.94Å; I176-D181 VanDerWaalsContact N-OD1 3.14Å; G177-D181 PolarHBondContact N-OD1 3.17Å; G177-D181 PolarHBondContact N-OD2 3.27Å; N178-D181 WeakPolarHBondContact CB-OD1 3.23Å; N178-D181 PolarHBondContact N-OD1 3.09Å; N178-D181 VanDerWaalsContact N-OD1 3.13Å; N178-D181 PolarHBondContact ND2-OD1 2.94Å | ||
| 182 | C | 90.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.5 | 107.8 | 170.6 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | T161 C165 I173 S175 | T161-C182 WeakPolarHBondContact O-CB 3.35Å; T161-C182 PolarHBondContact OG1-N 3.2Å; C165-C182 WeakPolarHBondContact CA-SG 3.35Å; C165-C182 WeakPolarHBondContact CB-SG 3.4Å; C165-C182 PolarHBondContact N-SG 3.24Å; I173-C182 HydrophobicContact CD1-CB 4.18Å; I173-C182 HydrophobicContact CG2-CB 4.42Å; I173-C182 WeakPolarHBondContact CG2-SG 3.23Å; S175-C182 PolarHBondContact OG-N 3.32Å; S175-C182 VanDerWaalsContact OG-N 3.08Å |
| 183 | G | 89.1 | Confident | 87.2 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 71.8 | -169 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V202 | G183-V202 CarbonylContact C-O 3.42Å; G183-V202 WeakPolarHBondContact CA-O 3.07Å |
| 184 | C | 88.6 | Confident | 87.1 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 153.7 | -178.9 | -43.8 | 0 | 0 | 0 | 0 | 111.4 | G186 L197 C200 V202 L203 Y204 | C184-G186 PolarHBondContact O-N 3.11Å; C184-L197 HydrophobicContact CB-CD2 3.64Å; C184-C200 HydrophobicContact CB-CB 3.96Å; C184-C200 WeakPolarHBondContact CB-SG 3.49Å; C184-C200 PolarHBondContact N-SG 3.24Å; C184-C200 WeakPolarHBondContact SG-CB 3.43Å; C184-C200 CovalentContact SG-SG 2.02Å; C184-C200 PolarHBondContact SG-SG 3.12Å; C184-V202 PolarHBondContact N-O 3.1Å; C184-L203 HydrophobicContact CB-CD2 3.97Å; C184-L203 WeakPolarHBondContact O-CA 3.19Å; C184-Y204 WeakPolarHBondContact O-CD1 3.4Å; C184-Y204 PolarHBondContact O-N 2.97Å |
| 185 | P | 85.8 | Confident | 87 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 118.9 | 172.6 | 19.5 | -27.3 | 0 | 0 | 0 | 110.2 | N187 Y204 | P185-N187 WeakPolarHBondContact CB-OD1 3.26Å; P185-Y204 VanDerWaalsContact CA-CZ 3.44Å; P185-Y204 HydrophobicContact CB-CE1 4.37Å; P185-Y204 HydrophobicContact CB-CE2 4.13Å; P185-Y204 VanDerWaalsContact CB-OH 3.23Å; P185-Y204 WeakPolarHBondContact CB-OH 3.17Å; P185-Y204 WeakPolarHBondContact CD-OH 3.45Å; P185-Y204 VanDerWaalsContact N-CE1 3.3Å |
| 186 | G | 81.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 4.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | C184 I189 Y204 D205 F206 N207 | C184-G186 PolarHBondContact O-N 3.11Å; G186-I189 WeakPolarHBondContact O-CD1 3.08Å; G186-I189 WeakPolarHBondContact O-CG1 3.37Å; G186-Y204 PolarHBondContact N-O 3.19Å; G186-D205 CarbonylContact C-O 3.53Å; G186-D205 WeakPolarHBondContact CA-O 3.47Å; G186-D205 PolarHBondContact N-O 2.89Å; G186-F206 WeakPolarHBondContact O-CA 3.2Å; G186-N207 PolarHBondContact O-N 2.77Å |
| 187 | N | 79.7 | Confident | 86.6 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.7 | 171 | 64.7 | -29.5 | 0 | 0 | 0 | 111.2 | P185 D205 | P185-N187 WeakPolarHBondContact CB-OD1 3.26Å; N187-D205 HydrophobicContact CB-CB 4.12Å; N187-D205 PolarHBondContact N-O 2.77Å |
| 188 | G | 75.6 | Confident | 86.2 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.6 | 35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T190 N193 | G188-T190 PolarHBondContact O-N 2.98Å; G188-N193 PolarHBondContact O-ND2 3.28Å |
| 189 | I | 80.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 128.6 | 172 | -61.3 | 171.7 | 0 | 0 | 0 | 108.5 | G186 N193 I194 L197 L203 F206 L208 | G186-I189 WeakPolarHBondContact O-CD1 3.08Å; G186-I189 WeakPolarHBondContact O-CG1 3.37Å; I189-N193 WeakPolarHBondContact CA-OD1 3.47Å; I189-I194 HydrophobicContact CG2-CB 4.06Å; I189-I194 HydrophobicContact CG2-CD1 4.1Å; I189-I194 HydrophobicContact CG2-CG1 3.88Å; I189-L197 HydrophobicContact CD1-CD1 3.7Å; I189-L197 HydrophobicContact CG1-CD1 3.86Å; I189-L197 HydrophobicContact CG2-CD1 4.5Å; I189-L203 HydrophobicContact CD1-CD1 4.47Å; I189-F206 HydrophobicContact CD1-CD2 3.83Å; I189-F206 HydrophobicContact CD1-CE2 3.61Å; I189-L208 HydrophobicContact CG2-CD1 4.36Å |
| 190 | T | 80.7 | Confident | 85.2 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | trans | -134.6 | 162.9 | 177.6 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | G188 A192 N193 I194 | G188-T190 PolarHBondContact O-N 2.98Å; T190-A192 PolarHBondContact O-N 3.23Å; T190-A192 PolarHBondContact OG1-N 2.92Å; T190-N193 PolarHBondContact N-OD1 3.42Å; T190-N193 PolarHBondContact O-N 3.49Å; T190-N193 VanDerWaalsContact O-N 3.08Å; T190-N193 PolarHBondContact O-OD1 3.37Å; T190-N193 PolarHBondContact OG1-N 3.08Å; T190-N193 PolarHBondContact OG1-OD1 2.85Å; T190-I194 WeakPolarHBondContact O-CB 3.43Å; T190-I194 PolarHBondContact O-N 3.25Å | ||
| 191 | S | 78.8 | Confident | 84.9 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 70% | 0.699 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.8 | 171.7 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 192 | A | 81.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T190 | T190-A192 PolarHBondContact O-N 3.23Å; T190-A192 PolarHBondContact OG1-N 2.92Å |
| 193 | N | 83.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -8.9 | -175.5 | 68.4 | 8.7 | 0 | 0 | 0 | 114 | G188 I189 T190 E195 T196 | G188-N193 PolarHBondContact O-ND2 3.28Å; I189-N193 WeakPolarHBondContact CA-OD1 3.47Å; T190-N193 PolarHBondContact N-OD1 3.42Å; T190-N193 PolarHBondContact O-N 3.49Å; T190-N193 VanDerWaalsContact O-N 3.08Å; T190-N193 PolarHBondContact O-OD1 3.37Å; T190-N193 PolarHBondContact OG1-N 3.08Å; T190-N193 PolarHBondContact OG1-OD1 2.85Å; N193-E195 PolarHBondContact O-N 3.42Å; N193-E195 VanDerWaalsContact O-N 3.12Å; N193-T196 PolarHBondContact O-N 3.06Å; N193-T196 PolarHBondContact O-OG1 2.84Å |
| 194 | I | 85.5 | Confident | 84 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -57.7 | -33.1 | -176 | -161.4 | 171.4 | 0 | 0 | 0 | 113.1 | I189 T190 T196 L197 L215 A217 L218 | I189-I194 HydrophobicContact CG2-CB 4.06Å; I189-I194 HydrophobicContact CG2-CD1 4.1Å; I189-I194 HydrophobicContact CG2-CG1 3.88Å; T190-I194 WeakPolarHBondContact O-CB 3.43Å; T190-I194 PolarHBondContact O-N 3.25Å; I194-T196 PolarHBondContact O-N 3.29Å; I194-L197 WeakPolarHBondContact O-CB 3.43Å; I194-L197 PolarHBondContact O-N 2.82Å; I194-L215 HydrophobicContact CD1-CD2 3.76Å; I194-A217 HydrophobicContact CG1-CB 4.24Å; I194-A217 WeakPolarHBondContact O-CB 3.4Å; I194-L218 HydrophobicContact CD1-CD1 4.38Å; I194-L218 HydrophobicContact CD1-CG 4.23Å; I194-L218 HydrophobicContact CG1-CD2 4.17Å; I194-L218 HydrophobicContact CG1-CG 4.31Å |
| 195 | E | 87.5 | Confident | 83.4 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -63.6 | -24.2 | 177.1 | -75 | -61.2 | 144.4 | 0 | 0 | 113.8 | N193 L197 R198 | N193-E195 PolarHBondContact O-N 3.42Å; N193-E195 VanDerWaalsContact O-N 3.12Å; E195-L197 PolarHBondContact O-N 3.37Å; E195-R198 VanDerWaalsContact CD-NH2 3.29Å; E195-R198 WeakPolarHBondContact O-CB 3.19Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 IonicContact OE1-CZ 3.85Å; E195-R198 IonicContact OE1-NH2 2.67Å; E195-R198 PolarHBondContact OE1-NH2 3.32Å; E195-R198 IonicContact OE2-CZ 3.99Å; E195-R198 VanDerWaalsContact OE2-CZ 3.25Å; E195-R198 IonicContact OE2-NE 2.82Å; E195-R198 PolarHBondContact OE2-NE 3.4Å; E195-R198 IonicContact OE2-NH2 2.93Å; E195-R198 PolarHBondContact OE2-NH2 3.46Å |
| 196 | T | 86.2 | Confident | 83.2 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 67% | 0.669 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -68.8 | -14.4 | 175.9 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | N193 I194 | N193-T196 PolarHBondContact O-N 3.06Å; N193-T196 PolarHBondContact O-OG1 2.84Å; I194-T196 PolarHBondContact O-N 3.29Å |
| 197 | L | 87.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -90.4 | -5.8 | -178.7 | -55 | 179.3 | 0 | 0 | 0 | 113.5 | C184 I189 I194 E195 N199 C200 L203 A217 L218 | C184-L197 HydrophobicContact CB-CD2 3.64Å; I189-L197 HydrophobicContact CD1-CD1 3.7Å; I189-L197 HydrophobicContact CG1-CD1 3.86Å; I189-L197 HydrophobicContact CG2-CD1 4.5Å; I194-L197 WeakPolarHBondContact O-CB 3.43Å; I194-L197 PolarHBondContact O-N 2.82Å; E195-L197 PolarHBondContact O-N 3.37Å; L197-N199 PolarHBondContact O-N 2.82Å; L197-N199 VanDerWaalsContact O-N 3.09Å; L197-C200 WeakPolarHBondContact O-CB 3.34Å; L197-C200 PolarHBondContact O-N 2.96Å; L197-L203 HydrophobicContact CD1-CD2 4.28Å; L197-L203 HydrophobicContact CD2-CD2 3.9Å; L197-A217 CarbonylContact C-O 3.58Å; L197-A217 VanDerWaalsContact C-O 3.32Å; L197-L218 HydrophobicContact CB-CD2 3.94Å; L197-L218 HydrophobicContact CD1-CD2 3.57Å; L197-L218 HydrophobicContact CG-CD2 4.41Å |
| 198 | R | 87.5 | Confident | 82.9 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33 | -174.5 | -173.5 | 176.2 | -72.9 | -91.2 | 0.3 | 114.7 | E195 A217 | E195-R198 VanDerWaalsContact CD-NH2 3.29Å; E195-R198 WeakPolarHBondContact O-CB 3.19Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 IonicContact OE1-CZ 3.85Å; E195-R198 IonicContact OE1-NH2 2.67Å; E195-R198 PolarHBondContact OE1-NH2 3.32Å; E195-R198 IonicContact OE2-CZ 3.99Å; E195-R198 VanDerWaalsContact OE2-CZ 3.25Å; E195-R198 IonicContact OE2-NE 2.82Å; E195-R198 PolarHBondContact OE2-NE 3.4Å; E195-R198 IonicContact OE2-NH2 2.93Å; E195-R198 PolarHBondContact OE2-NH2 3.46Å; R198-A217 VanDerWaalsContact CA-O 3.25Å; R198-A217 WeakPolarHBondContact CA-O 3.49Å; R198-A217 HydrophobicContact CB-CB 4.36Å; R198-A217 PolarHBondContact N-O 3.19Å |
| 199 | N | 84.8 | Confident | 82.6 | Confident | 159 Ų | 159 | 53.2 Ų | 53.2 | 85% | 0.85 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 14.6 | 179.3 | -63.3 | -35.5 | 0 | 0 | 0 | 112.7 | L197 | L197-N199 PolarHBondContact O-N 2.82Å; L197-N199 VanDerWaalsContact O-N 3.09Å |
| 200 | C | 88.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | trans | -91.3 | 133.4 | -179.2 | -153.2 | 0 | 0 | 0 | 0 | 110.5 | C184 L197 V202 E220 I221 | C184-C200 HydrophobicContact CB-CB 3.96Å; C184-C200 WeakPolarHBondContact CB-SG 3.49Å; C184-C200 PolarHBondContact N-SG 3.24Å; C184-C200 WeakPolarHBondContact SG-CB 3.43Å; C184-C200 CovalentContact SG-SG 2.02Å; C184-C200 PolarHBondContact SG-SG 3.12Å; L197-C200 WeakPolarHBondContact O-CB 3.34Å; L197-C200 PolarHBondContact O-N 2.96Å; C200-V202 PolarHBondContact SG-O 3.34Å; C200-E220 CarbonylContact O-C 3.59Å; C200-I221 HydrophobicContact CB-CD1 3.7Å; C200-I221 WeakPolarHBondContact O-CD1 3.46Å | ||
| 201 | S | 87 | Confident | 80.8 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 42% | 0.42 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -101.6 | -18.9 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | E220 T222 A223 | S201-E220 WeakPolarHBondContact CA-O 3.46Å; S201-T222 PolarHBondContact O-N 3.24Å; S201-T222 PolarHBondContact O-OG1 2.93Å; S201-A223 PolarHBondContact O-N 3.05Å |
| 202 | V | 85.6 | Confident | 79.8 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126.9 | -175.7 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | C165 G183 C184 C200 A223 | C165-V202 HydrophobicContact CB-CB 4.5Å; C165-V202 HydrophobicContact CB-CG2 4.04Å; G183-V202 CarbonylContact C-O 3.42Å; G183-V202 WeakPolarHBondContact CA-O 3.07Å; C184-V202 PolarHBondContact N-O 3.1Å; C200-V202 PolarHBondContact SG-O 3.34Å; V202-A223 WeakPolarHBondContact CA-O 3.31Å; V202-A223 HydrophobicContact CG1-CB 4.41Å; V202-A223 HydrophobicContact CG2-CB 4.27Å |
| 203 | L | 86.4 | Confident | 78.9 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.4 | 170 | -63.6 | 179.8 | 0 | 0 | 0 | 110.8 | C184 I189 L197 F206 I221 A223 V224 T225 | C184-L203 HydrophobicContact CB-CD2 3.97Å; C184-L203 WeakPolarHBondContact O-CA 3.19Å; I189-L203 HydrophobicContact CD1-CD1 4.47Å; L197-L203 HydrophobicContact CD1-CD2 4.28Å; L197-L203 HydrophobicContact CD2-CD2 3.9Å; L203-F206 HydrophobicContact CD1-CD2 3.87Å; L203-F206 HydrophobicContact CD1-CE2 4.2Å; L203-I221 HydrophobicContact CD1-CD1 4.05Å; L203-I221 HydrophobicContact CD1-CG1 4.08Å; L203-I221 HydrophobicContact CD1-CG2 4.09Å; L203-I221 HydrophobicContact CD2-CD1 3.83Å; L203-I221 HydrophobicContact CG-CD1 3.67Å; L203-I221 HydrophobicContact CG-CG1 4.18Å; L203-I221 HydrophobicContact CG-CG2 3.99Å; L203-A223 PolarHBondContact N-O 2.53Å; L203-V224 HydrophobicContact CB-CG1 4.17Å; L203-V224 HydrophobicContact CB-CG2 4.49Å; L203-V224 CarbonylContact O-C 3.58Å; L203-V224 WeakPolarHBondContact O-CA 3.26Å; L203-T225 PolarHBondContact O-N 3.19Å; L203-T225 PolarHBondContact O-OG1 2.87Å |
| 204 | Y | 81.3 | Confident | 78.4 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.1 | 163.4 | 70 | -95.8 | 0 | 0 | 0 | 108.9 | I173 K174 I176 C184 P185 G186 T225 | I173-Y204 WeakPolarHBondContact O-CB 3.39Å; K174-Y204 HydrophobicContact CB-CD2 4.49Å; K174-Y204 HydrophobicContact CG-CD2 4.04Å; K174-Y204 HydrophobicContact CG-CE2 4Å; I176-Y204 HydrophobicContact CD1-CE2 4.06Å; I176-Y204 WeakPolarHBondContact CD1-OH 3.45Å; I176-Y204 HydrophobicContact CG1-CE1 4.41Å; I176-Y204 HydrophobicContact CG1-CE2 4.42Å; I176-Y204 WeakPolarHBondContact CG1-OH 3.45Å; C184-Y204 WeakPolarHBondContact O-CD1 3.4Å; C184-Y204 PolarHBondContact O-N 2.97Å; P185-Y204 VanDerWaalsContact CA-CZ 3.44Å; P185-Y204 HydrophobicContact CB-CE1 4.37Å; P185-Y204 HydrophobicContact CB-CE2 4.13Å; P185-Y204 VanDerWaalsContact CB-OH 3.23Å; P185-Y204 WeakPolarHBondContact CB-OH 3.17Å; P185-Y204 WeakPolarHBondContact CD-OH 3.45Å; P185-Y204 VanDerWaalsContact N-CE1 3.3Å; G186-Y204 PolarHBondContact N-O 3.19Å; Y204-T225 CarbonylContact C-O 3.02Å; Y204-T225 WeakPolarHBondContact CA-O 3.34Å |
| 205 | D | 75.8 | Confident | 78.2 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 142.2 | -163.7 | -56.7 | -40.5 | 0 | 0 | 0 | 112.3 | G186 N187 T225 G226 E227 | G186-D205 CarbonylContact C-O 3.53Å; G186-D205 WeakPolarHBondContact CA-O 3.47Å; G186-D205 PolarHBondContact N-O 2.89Å; N187-D205 HydrophobicContact CB-CB 4.12Å; N187-D205 PolarHBondContact N-O 2.77Å; D205-T225 WeakPolarHBondContact CA-O 3.35Å; D205-T225 PolarHBondContact N-O 2.86Å; D205-G226 WeakPolarHBondContact OD1-CA 3.35Å; D205-E227 CarbonylContact C-O 3.53Å; D205-E227 WeakPolarHBondContact CA-O 3.33Å; D205-E227 PolarHBondContact OD1-N 3.43Å |
| 206 | F | 82.6 | Confident | 78.2 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 114.1 | 178.2 | -176.5 | -110.9 | 0 | 0 | 0 | 110.4 | G186 I189 L203 L208 L218 V224 E227 H228 N229 I230 | G186-F206 WeakPolarHBondContact O-CA 3.2Å; I189-F206 HydrophobicContact CD1-CD2 3.83Å; I189-F206 HydrophobicContact CD1-CE2 3.61Å; L203-F206 HydrophobicContact CD1-CD2 3.87Å; L203-F206 HydrophobicContact CD1-CE2 4.2Å; F206-L208 HydrophobicContact CE1-CB 4.02Å; F206-L208 HydrophobicContact CZ-CB 3.83Å; F206-L208 HydrophobicContact CZ-CD2 4.31Å; F206-L218 HydrophobicContact CE2-CD1 4.45Å; F206-V224 HydrophobicContact CB-CG1 3.43Å; F206-V224 VanDerWaalsContact CB-CG1 3.43Å; F206-V224 HydrophobicContact CG-CG1 4.14Å; F206-E227 PolarHBondContact N-O 3.2Å; F206-H228 CarbonylContact O-C 3.54Å; F206-H228 WeakPolarHBondContact O-CA 3.47Å; F206-N229 PolarHBondContact O-N 3.49Å; F206-I230 HydrophobicContact CD1-CD1 4.47Å; F206-I230 HydrophobicContact CD1-CG1 4.17Å; F206-I230 HydrophobicContact CE1-CD1 4.01Å; F206-I230 HydrophobicContact CE1-CG1 3.89Å |
| 207 | N | 79.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 106.6 | 174.6 | -171 | -13.9 | 0 | 0 | 0 | 109.4 | G186 N229 | G186-N207 PolarHBondContact O-N 2.77Å; N207-N229 WeakPolarHBondContact CA-O 3.07Å |
| 208 | L | 75 | Confident | 78.1 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.9 | 173.1 | -169.7 | 68.6 | 0 | 0 | 0 | 109 | I189 F206 L215 N229 K231 | I189-L208 HydrophobicContact CG2-CD1 4.36Å; F206-L208 HydrophobicContact CE1-CB 4.02Å; F206-L208 HydrophobicContact CZ-CB 3.83Å; F206-L208 HydrophobicContact CZ-CD2 4.31Å; L208-L215 HydrophobicContact CD1-CD2 4.43Å; L208-N229 PolarHBondContact N-O 2.89Å; L208-N229 VanDerWaalsContact N-O 3.09Å; L208-K231 PolarHBondContact O-N 2.52Å; L208-K231 VanDerWaalsContact O-N 3.14Å |
| 209 | S | 68.8 | Low | 78.1 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 114.2 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 210 | N | 62.6 | Low | 78.4 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 70.1 | 121.3 | -179 | -66.4 | -25.6 | 0 | 0 | 0 | 117.2 | S212 | N210-S212 PolarHBondContact O-N 3.03Å; N210-S212 VanDerWaalsContact O-N 3.09Å |
| 211 | E | 60.1 | Low | 78.4 | Confident | 113 Ų | 113 | 58 Ų | 58 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | trans | 25.4 | 66 | 142.6 | -63.6 | -178.2 | -152.7 | 0 | 0 | 118.2 | Y235 | E211-Y235 WeakPolarHBondContact OE1-CE2 3.39Å; E211-Y235 PolarHBondContact OE1-OH 3.08Å; E211-Y235 PolarHBondContact OE2-OH 3.49Å | ||
| 212 | S | 57.6 | Low | 78.3 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | trans | -88.3 | 108.7 | 142.7 | -166.9 | 0 | 0 | 0 | 0 | 106.4 | N210 D214 | N210-S212 PolarHBondContact O-N 3.03Å; N210-S212 VanDerWaalsContact O-N 3.09Å; S212-D214 PolarHBondContact O-N 3.39Å; S212-D214 PolarHBondContact OG-O 2.89Å | ||
| 213 | D | 62.9 | Low | 78.1 | Confident | 159 Ų | 159 | 61.9 Ų | 61.9 | 85% | 0.85 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -64.3 | -25.7 | 173.7 | -70.5 | -28.4 | 0 | 0 | 0 | 111.1 | ||
| 214 | D | 74.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | trans | -101.5 | 106.1 | 175.5 | -166.9 | -8.7 | 0 | 0 | 0 | 110.5 | S212 T216 | S212-D214 PolarHBondContact O-N 3.39Å; S212-D214 PolarHBondContact OG-O 2.89Å; D214-T216 WeakPolarHBondContact OD1-CB 3.36Å; D214-T216 PolarHBondContact OD1-N 3.32Å; D214-T216 PolarHBondContact OD1-OG1 2.97Å | ||
| 215 | L | 81.2 | Confident | 77.3 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | trans | -105.4 | 13.7 | 172.1 | -60.4 | 178.8 | 0 | 0 | 0 | 111.7 | I194 L208 A217 L218 | I194-L215 HydrophobicContact CD1-CD2 3.76Å; L208-L215 HydrophobicContact CD1-CD2 4.43Å; L215-A217 PolarHBondContact O-N 2.98Å; L215-L218 HydrophobicContact CB-CD1 4.44Å; L215-L218 HydrophobicContact CD2-CD1 4.01Å; L215-L218 WeakPolarHBondContact O-CB 3.38Å; L215-L218 PolarHBondContact O-N 2.76Å | ||
| 216 | T | 86.3 | Confident | 76.9 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -62.1 | -28.9 | -176.3 | -45.2 | 0 | 0 | 0 | 0 | 111.7 | D214 L218 A219 | D214-T216 WeakPolarHBondContact OD1-CB 3.36Å; D214-T216 PolarHBondContact OD1-N 3.32Å; D214-T216 PolarHBondContact OD1-OG1 2.97Å; T216-L218 PolarHBondContact O-N 3.4Å; T216-A219 WeakPolarHBondContact O-CB 3.49Å; T216-A219 PolarHBondContact O-N 3.36Å; T216-A219 VanDerWaalsContact O-N 3.1Å |
| 217 | A | 85.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 71.5 Ų | 71.5 | 2% | 0.017 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -67.3 | -9.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I194 L197 R198 L215 | I194-A217 HydrophobicContact CG1-CB 4.24Å; I194-A217 WeakPolarHBondContact O-CB 3.4Å; L197-A217 CarbonylContact C-O 3.58Å; L197-A217 VanDerWaalsContact C-O 3.32Å; R198-A217 VanDerWaalsContact CA-O 3.25Å; R198-A217 WeakPolarHBondContact CA-O 3.49Å; R198-A217 HydrophobicContact CB-CB 4.36Å; R198-A217 PolarHBondContact N-O 3.19Å; L215-A217 PolarHBondContact O-N 2.98Å |
| 218 | L | 87.1 | Confident | 76 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 14% | 0.141 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -97.9 | 3.7 | 173.1 | -53.7 | -177.7 | 0 | 0 | 0 | 112.9 | I194 L197 F206 L215 T216 E220 I221 | I194-L218 HydrophobicContact CD1-CD1 4.38Å; I194-L218 HydrophobicContact CD1-CG 4.23Å; I194-L218 HydrophobicContact CG1-CD2 4.17Å; I194-L218 HydrophobicContact CG1-CG 4.31Å; L197-L218 HydrophobicContact CB-CD2 3.94Å; L197-L218 HydrophobicContact CD1-CD2 3.57Å; L197-L218 HydrophobicContact CG-CD2 4.41Å; F206-L218 HydrophobicContact CE2-CD1 4.45Å; L215-L218 HydrophobicContact CB-CD1 4.44Å; L215-L218 HydrophobicContact CD2-CD1 4.01Å; L215-L218 WeakPolarHBondContact O-CB 3.38Å; L215-L218 PolarHBondContact O-N 2.76Å; T216-L218 PolarHBondContact O-N 3.4Å; L218-E220 VanDerWaalsContact C-N 3.26Å; L218-E220 PolarHBondContact O-N 3.09Å; L218-I221 HydrophobicContact CB-CG1 4.1Å; L218-I221 HydrophobicContact CD2-CG1 4.34Å; L218-I221 WeakPolarHBondContact O-CB 2.92Å; L218-I221 VanDerWaalsContact O-CG1 3.26Å; L218-I221 WeakPolarHBondContact O-CG1 3.42Å; L218-I221 PolarHBondContact O-N 2.75Å; L218-I221 VanDerWaalsContact O-N 3.11Å |
| 219 | A | 87.8 | Confident | 75.9 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T216 I221 | T216-A219 WeakPolarHBondContact O-CB 3.49Å; T216-A219 PolarHBondContact O-N 3.36Å; T216-A219 VanDerWaalsContact O-N 3.1Å; A219-I221 VanDerWaalsContact C-N 3.34Å |
| 220 | E | 89.7 | Confident | 76 | Confident | 127 Ų | 127 | 78 Ų | 78 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.2 | -179.8 | -62.4 | -61.4 | 142.7 | 0 | 0 | 113.3 | C200 S201 L218 T222 | C200-E220 CarbonylContact O-C 3.59Å; S201-E220 WeakPolarHBondContact CA-O 3.46Å; L218-E220 VanDerWaalsContact C-N 3.26Å; L218-E220 PolarHBondContact O-N 3.09Å; E220-T222 PolarHBondContact O-N 2.78Å |
| 221 | I | 88.3 | Confident | 76.2 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 17% | 0.174 | 44% | 0.438 | C | S | . | . | trans | -70.3 | 116.8 | 178.7 | -54.3 | -58.2 | 0 | 0 | 0 | 108.9 | C200 L203 L218 A219 A223 V224 | C200-I221 HydrophobicContact CB-CD1 3.7Å; C200-I221 WeakPolarHBondContact O-CD1 3.46Å; L203-I221 HydrophobicContact CD1-CD1 4.05Å; L203-I221 HydrophobicContact CD1-CG1 4.08Å; L203-I221 HydrophobicContact CD1-CG2 4.09Å; L203-I221 HydrophobicContact CD2-CD1 3.83Å; L203-I221 HydrophobicContact CG-CD1 3.67Å; L203-I221 HydrophobicContact CG-CG1 4.18Å; L203-I221 HydrophobicContact CG-CG2 3.99Å; L218-I221 HydrophobicContact CB-CG1 4.1Å; L218-I221 HydrophobicContact CD2-CG1 4.34Å; L218-I221 WeakPolarHBondContact O-CB 2.92Å; L218-I221 VanDerWaalsContact O-CG1 3.26Å; L218-I221 WeakPolarHBondContact O-CG1 3.42Å; L218-I221 PolarHBondContact O-N 2.75Å; L218-I221 VanDerWaalsContact O-N 3.11Å; A219-I221 VanDerWaalsContact C-N 3.34Å; I221-A223 WeakPolarHBondContact CG2-O 3.41Å; I221-V224 HydrophobicContact CG2-CG2 3.99Å | ||
| 222 | T | 85.6 | Confident | 76.2 | Confident | 119 Ų | 119 | 81.1 Ų | 81.1 | 73% | 0.73 | 45% | 0.449 | S | S | * | . | trans | -107.4 | -18.6 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | S201 E220 | S201-T222 PolarHBondContact O-N 3.24Å; S201-T222 PolarHBondContact O-OG1 2.93Å; E220-T222 PolarHBondContact O-N 2.78Å | ||
| 223 | A | 80.6 | Confident | 76.1 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 33% | 0.331 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S201 V202 L203 I221 | S201-A223 PolarHBondContact O-N 3.05Å; V202-A223 WeakPolarHBondContact CA-O 3.31Å; V202-A223 HydrophobicContact CG1-CB 4.41Å; V202-A223 HydrophobicContact CG2-CB 4.27Å; L203-A223 PolarHBondContact N-O 2.53Å; I221-A223 WeakPolarHBondContact CG2-O 3.41Å |
| 224 | V | 79.3 | Confident | 75.4 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 35% | 0.352 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.3 | 169.4 | -168.7 | 0 | 0 | 0 | 0 | 106.9 | L203 F206 I221 H228 | L203-V224 HydrophobicContact CB-CG1 4.17Å; L203-V224 HydrophobicContact CB-CG2 4.49Å; L203-V224 CarbonylContact O-C 3.58Å; L203-V224 WeakPolarHBondContact O-CA 3.26Å; F206-V224 HydrophobicContact CB-CG1 3.43Å; F206-V224 VanDerWaalsContact CB-CG1 3.43Å; F206-V224 HydrophobicContact CG-CG1 4.14Å; I221-V224 HydrophobicContact CG2-CG2 3.99Å; V224-H228 WeakPolarHBondContact CG1-CE1 3.35Å; V224-H228 WeakPolarHBondContact CG1-ND1 3.43Å |
| 225 | T | 71.9 | Confident | 74.2 | Confident | 24 Ų | 24 | 87.6 Ų | 87.6 | 15% | 0.147 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 160.4 | -178.6 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | G172 L203 Y204 D205 | G172-T225 WeakPolarHBondContact CA-OG1 3.43Å; G172-T225 VanDerWaalsContact N-CB 3.34Å; L203-T225 PolarHBondContact O-N 3.19Å; L203-T225 PolarHBondContact O-OG1 2.87Å; Y204-T225 CarbonylContact C-O 3.02Å; Y204-T225 WeakPolarHBondContact CA-O 3.34Å; D205-T225 WeakPolarHBondContact CA-O 3.35Å; D205-T225 PolarHBondContact N-O 2.86Å |
| 226 | G | 69 | Low | 72.4 | Confident | 42 Ų | 42 | 94 Ų | 94 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.1 | -153.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D205 H228 | D205-G226 WeakPolarHBondContact OD1-CA 3.35Å; G226-H228 PolarHBondContact O-CE1 3.14Å; G226-H228 PolarHBondContact O-NE2 3.09Å |
| 227 | E | 69.7 | Low | 70 | Confident | 164 Ų | 164 | 96.2 Ų | 96.2 | 77% | 0.766 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.9 | -179 | -72.2 | -169.3 | 174.1 | 0 | 0 | 111.9 | D205 F206 | D205-E227 CarbonylContact C-O 3.53Å; D205-E227 WeakPolarHBondContact CA-O 3.33Å; D205-E227 PolarHBondContact OD1-N 3.43Å; F206-E227 PolarHBondContact N-O 3.2Å |
| 228 | H | 73.4 | Confident | 67.8 | Low | 113 Ų | 113 | 101.2 Ų | 101.2 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.6 | 178.5 | -51.1 | -55.2 | 0 | 0 | 0 | 111 | F206 V224 G226 | F206-H228 CarbonylContact O-C 3.54Å; F206-H228 WeakPolarHBondContact O-CA 3.47Å; V224-H228 WeakPolarHBondContact CG1-CE1 3.35Å; V224-H228 WeakPolarHBondContact CG1-ND1 3.43Å; G226-H228 PolarHBondContact O-CE1 3.14Å; G226-H228 PolarHBondContact O-NE2 3.09Å |
| 229 | N | 71.6 | Confident | 65.6 | Low | 70 Ų | 70 | 104.7 Ų | 104.7 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.8 | 119.8 | 174.8 | -158.1 | -42.7 | 0 | 0 | 0 | 110.1 | F206 N207 L208 K231 | F206-N229 PolarHBondContact O-N 3.49Å; N207-N229 WeakPolarHBondContact CA-O 3.07Å; L208-N229 PolarHBondContact N-O 2.89Å; L208-N229 VanDerWaalsContact N-O 3.09Å; N229-K231 WeakPolarHBondContact OD1-CG 3.11Å |
| 230 | I | 70.3 | Confident | 63.4 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 52% | 0.523 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.9 | 176 | -53.4 | -179.8 | 0 | 0 | 0 | 107.3 | F206 I232 | F206-I230 HydrophobicContact CD1-CD1 4.47Å; F206-I230 HydrophobicContact CD1-CG1 4.17Å; F206-I230 HydrophobicContact CE1-CD1 4.01Å; F206-I230 HydrophobicContact CE1-CG1 3.89Å; I230-I232 HydrophobicContact CG2-CD1 4.15Å; I230-I232 HydrophobicContact CG2-CG1 3.76Å |
| 231 | K | 68.3 | Low | 62.1 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.587 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 97.3 | 175.1 | -67.9 | -176.4 | -177.4 | 176.6 | 0 | 109.6 | L208 N229 | L208-K231 PolarHBondContact O-N 2.52Å; L208-K231 VanDerWaalsContact O-N 3.14Å; N229-K231 WeakPolarHBondContact OD1-CG 3.11Å |
| 232 | I | 59.8 | Low | 60.7 | Low | 148 Ų | 148 | 119.9 Ų | 119.9 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | trans | -93.6 | 125.2 | 173.9 | -49.6 | -178.6 | 0 | 0 | 0 | 108.3 | I230 S234 | I230-I232 HydrophobicContact CG2-CD1 4.15Å; I230-I232 HydrophobicContact CG2-CG1 3.76Å; I232-S234 PolarHBondContact O-N 3.3Å | ||
| 233 | K | 54.2 | Low | 59.4 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | trans | -75.2 | 120.1 | 166.5 | -81.6 | -176.3 | -179.6 | 176 | 0 | 108.8 | Y235 | K233-Y235 PolarHBondContact O-N 3.47Š| ||
| 234 | S | 48.4 | Very low | 58.1 | Low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | trans | -71.2 | 114.6 | 166.5 | 60.8 | 0 | 0 | 0 | 0 | 108.9 | I232 Y236 | I232-S234 PolarHBondContact O-N 3.3Å; S234-Y236 PolarHBondContact O-N 3.33Å | ||
| 235 | Y | 49.5 | Very low | 56.8 | Low | 170 Ų | 170 | 128.8 Ų | 128.8 | 67% | 0.667 | 66% | 0.655 | S | S | * | * | trans | -73.8 | 115 | 162.9 | -74.9 | -82.9 | 0 | 0 | 0 | 107.7 | E211 K233 C237 | E211-Y235 WeakPolarHBondContact OE1-CE2 3.39Å; E211-Y235 PolarHBondContact OE1-OH 3.08Å; E211-Y235 PolarHBondContact OE2-OH 3.49Å; K233-Y235 PolarHBondContact O-N 3.47Å; Y235-C237 PolarHBondContact O-N 3.16Å; Y235-C237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | Y | 43.4 | Very low | 55.8 | Low | 212 Ų | 212 | 135.8 Ų | 135.8 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | trans | -62.4 | 114.3 | 165.3 | -76.2 | -88.2 | 0 | 0 | 0 | 107.4 | S234 C238 | S234-Y236 PolarHBondContact O-N 3.33Å; Y236-C238 PolarHBondContact O-N 3.12Å; Y236-C238 VanDerWaalsContact O-N 3.12Å | ||
| 237 | C | 35.8 | Very low | 54.8 | Low | 130 Ų | 130 | 142.5 Ų | 142.5 | 88% | 0.878 | 71% | 0.707 | S | S | * | * | trans | -59.6 | 115.4 | 166.9 | -103.3 | 0 | 0 | 0 | 0 | 108.2 | Y235 A239 | Y235-C237 PolarHBondContact O-N 3.16Å; Y235-C237 VanDerWaalsContact O-N 3.16Å; C237-A239 PolarHBondContact O-N 3.37Å; C237-A239 VanDerWaalsContact O-N 3.1Å | ||
| 238 | C | 40.6 | Very low | 53.7 | Low | 107 Ų | 107 | 140.8 Ų | 140.8 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | trans | -65.6 | 107.1 | 160.5 | -71 | 0 | 0 | 0 | 0 | 107.4 | Y236 W240 | Y236-C238 PolarHBondContact O-N 3.12Å; Y236-C238 VanDerWaalsContact O-N 3.12Å; C238-W240 PolarHBondContact O-N 3.1Å | ||
| 239 | A | 40.3 | Very low | 52 | Low | 101 Ų | 101 | 143.2 Ų | 143.2 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | trans | -64.8 | 120.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | C237 | C237-A239 PolarHBondContact O-N 3.37Å; C237-A239 VanDerWaalsContact O-N 3.1Å | ||
| 240 | W | 42.3 | Very low | 50.3 | Low | 313 Ų | 313 | 149.8 Ų | 149.8 | 100% | 1.186 | 75% | 0.748 | S | S | * | * | trans | -86.3 | 0 | 167.9 | -70.7 | 87 | 0 | 0 | 0 | 109.7 | C238 | C238-W240 PolarHBondContact O-N 3.1Š|
Retrieved 240 of 240 residues in 291.1 ms
(Link to these results)