| 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 | 50.4 | Low | 55.2 | Low | 232 Ų | 232 | 153.5 Ų | 153.5 | 100% | 1.143 | 80% | 0.795 | S | S | * | * | 0 | 126.2 | 0 | -174.4 | 154.8 | 126.4 | 0 | 0 | 107 | |||||
| 2 | L | 52.9 | Low | 56.7 | Low | 141 Ų | 141 | 147.7 Ų | 147.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 75.9 | 93.6 | -179 | -49 | 178.7 | 0 | 0 | 0 | 116.9 | ||||
| 3 | L | 48.2 | Very low | 59 | Low | 173 Ų | 173 | 142.7 Ų | 142.7 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | -138 | 104.9 | 110.5 | -83 | 176.8 | 0 | 0 | 0 | 106.9 | G5 | L3-G5 PolarHBondContact O-N 3.2Š| |||
| 4 | T | 56.4 | Low | 61.2 | Low | 112 Ų | 112 | 144.5 Ų | 144.5 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -50.5 | 102 | 166.4 | 43.7 | 0 | 0 | 0 | 0 | 108.6 | F6 | T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.38Å | ||
| 5 | G | 56 | Low | 63.1 | Low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | -61.8 | 99.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | L3 C7 | L3-G5 PolarHBondContact O-N 3.2Å; G5-C7 VanDerWaalsContact C-N 3.32Å; G5-C7 PolarHBondContact O-N 3.36Å | ||
| 6 | F | 52.1 | Low | 65.2 | Low | 168 Ų | 168 | 137 Ų | 137 | 74% | 0.737 | 72% | 0.723 | S | S | * | * | trans | -53.1 | 101.4 | 168.5 | -120.7 | -100 | 0 | 0 | 0 | 106.7 | T4 Y8 | T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.38Å; F6-Y8 HydrophobicContact CB-CD2 4.44Å; F6-Y8 HydrophobicContact CB-CE2 4.21Å; F6-Y8 WeakPolarHBondContact O-CD2 3.41Å; F6-Y8 PolarHBondContact O-N 3.34Å | ||
| 7 | C | 51.5 | Low | 67 | Low | 105 Ų | 105 | 137.9 Ų | 137.9 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | trans | -66 | 91.5 | 167.9 | -176.9 | 0 | 0 | 0 | 0 | 105.2 | G5 I9 | G5-C7 VanDerWaalsContact C-N 3.32Å; G5-C7 PolarHBondContact O-N 3.36Å; C7-I9 PolarHBondContact O-N 3.16Å | ||
| 8 | Y | 54.8 | Low | 68.6 | Low | 187 Ų | 187 | 142.2 Ų | 142.2 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -60.4 | 94.6 | 163.9 | -75.3 | -86.5 | 0 | 0 | 0 | 105.7 | F6 F10 | F6-Y8 HydrophobicContact CB-CD2 4.44Å; F6-Y8 HydrophobicContact CB-CE2 4.21Å; F6-Y8 WeakPolarHBondContact O-CD2 3.41Å; F6-Y8 PolarHBondContact O-N 3.34Å; Y8-F10 PolarHBondContact O-N 3.2Å | ||
| 9 | I | 57.3 | Low | 70 | Confident | 144 Ų | 144 | 137.5 Ų | 137.5 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | -61.6 | 97.8 | 167.2 | -46.4 | -179.9 | 0 | 0 | 0 | 103.5 | C7 Q11 | C7-I9 PolarHBondContact O-N 3.16Å; I9-Q11 PolarHBondContact O-N 2.92Å | ||
| 10 | F | 58.3 | Low | 71.2 | Confident | 201 Ų | 201 | 136.2 Ų | 136.2 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -64.6 | 85.2 | 174.7 | -128.2 | -85.9 | 0 | 0 | 0 | 105.8 | Y8 S12 | Y8-F10 PolarHBondContact O-N 3.2Å; F10-S12 PolarHBondContact O-N 3.21Å | ||
| 11 | Q | 68.8 | Low | 72.4 | Confident | 153 Ų | 153 | 137.6 Ų | 137.6 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | trans | -69.3 | 103.3 | -174.3 | -153.5 | 178.4 | 27 | 0 | 0 | 105.7 | I9 | I9-Q11 PolarHBondContact O-N 2.92Š| ||
| 12 | S | 74.1 | Confident | 74.6 | Confident | 83 Ų | 83 | 130.1 Ų | 130.1 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | trans | -57 | 145.6 | 172.8 | 71.9 | 0 | 0 | 0 | 0 | 108.3 | F10 | F10-S12 PolarHBondContact O-N 3.21Š| ||
| 13 | S | 85.7 | Confident | 76.5 | Confident | 83 Ų | 83 | 126.1 Ų | 126.1 | 58% | 0.58 | 63% | 0.628 | S | S | * | * | trans | -36.4 | 142.8 | 174.6 | 156.1 | 0 | 0 | 0 | 0 | 113.3 | K15 | S13-K15 WeakPolarHBondContact O-CG 3.37Å; S13-K15 PolarHBondContact O-N 3.07Å | ||
| 14 | H | 89.7 | Confident | 78.8 | Confident | 168 Ų | 168 | 119.9 Ų | 119.9 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | trans | -59.3 | 104.9 | 178.4 | -62.5 | 149.3 | 0 | 0 | 0 | 111.1 | ||||
| 15 | K | 90.6 | Very high | 80.7 | Confident | 82 Ų | 82 | 121 Ų | 121 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | trans | -111.1 | 145.1 | 178.8 | -68.8 | 173.5 | -162.9 | -53.2 | 0 | 110.7 | S13 I19 K20 L23 | S13-K15 WeakPolarHBondContact O-CG 3.37Å; S13-K15 PolarHBondContact O-N 3.07Å; K15-I19 HydrophobicContact CB-CB 4.42Å; K15-I19 HydrophobicContact CB-CG2 4.27Å; K15-I19 HydrophobicContact CD-CG2 4.01Å; K15-I19 HydrophobicContact CG-CG2 4.32Å; K15-K20 HydrophobicContact CB-CG 4.05Å; K15-K20 WeakPolarHBondContact O-CE 3.47Å; K15-L23 HydrophobicContact CD-CD1 3.83Å | ||
| 16 | T | 96.3 | Very high | 82.6 | Confident | 87 Ų | 87 | 121 Ų | 121 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | trans | -62.6 | 155.5 | 172.4 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | R18 I19 K20 | T16-R18 VanDerWaalsContact C-N 3.25Å; T16-R18 PolarHBondContact O-N 3.2Å; T16-I19 PolarHBondContact O-N 3.41Å; T16-I19 WeakPolarHBondContact OG1-CG1 3.49Å; T16-K20 PolarHBondContact O-N 3.34Å | ||
| 17 | F | 95.5 | Very high | 84.7 | Confident | 152 Ų | 152 | 120.5 Ų | 120.5 | 67% | 0.667 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.7 | -37.2 | 179.9 | -178.6 | -117.8 | 0 | 0 | 0 | 112.8 | I19 K20 R21 | F17-I19 PolarHBondContact O-N 3.29Å; F17-K20 PolarHBondContact O-N 3.41Å; F17-R21 HydrophobicContact CD1-CG 4.44Å; F17-R21 HydrophobicContact CD2-CG 4.47Å; F17-R21 HydrophobicContact CE1-CG 4.14Å; F17-R21 HydrophobicContact CE2-CG 4.14Å; F17-R21 HydrophobicContact CZ-CG 3.98Å; F17-R21 WeakPolarHBondContact O-CG 3.31Å; F17-R21 PolarHBondContact O-N 2.92Å |
| 18 | R | 95.5 | Very high | 86.8 | Confident | 215 Ų | 215 | 122.9 Ų | 122.9 | 81% | 0.811 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.7 | -45.2 | 177.1 | -173.3 | 177.2 | 172.5 | -177.4 | -2.6 | 111.9 | T16 R21 F22 | T16-R18 VanDerWaalsContact C-N 3.25Å; T16-R18 PolarHBondContact O-N 3.2Å; R18-R21 PolarHBondContact O-N 3.25Å; R18-F22 PolarHBondContact O-N 2.95Å |
| 19 | I | 95.7 | Very high | 88.7 | Confident | 53 Ų | 53 | 118.5 Ų | 118.5 | 27% | 0.272 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -44.2 | 177.2 | -65.8 | 171.3 | 0 | 0 | 0 | 110.3 | K15 T16 F17 R21 F22 L23 | K15-I19 HydrophobicContact CB-CB 4.42Å; K15-I19 HydrophobicContact CB-CG2 4.27Å; K15-I19 HydrophobicContact CD-CG2 4.01Å; K15-I19 HydrophobicContact CG-CG2 4.32Å; T16-I19 PolarHBondContact O-N 3.41Å; T16-I19 WeakPolarHBondContact OG1-CG1 3.49Å; F17-I19 PolarHBondContact O-N 3.29Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.39Å; I19-F22 PolarHBondContact O-N 2.79Å; I19-F22 VanDerWaalsContact O-N 3.16Å; I19-L23 HydrophobicContact CG2-CD1 3.9Å; I19-L23 HydrophobicContact CG2-CG 4.25Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.06Å |
| 20 | K | 94.3 | Very high | 90.6 | Very high | 112 Ų | 112 | 114.1 Ų | 114.1 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 176.8 | -70.2 | 178.4 | 177.3 | 175 | 0 | 111.7 | K15 T16 F17 F22 L23 A24 | K15-K20 HydrophobicContact CB-CG 4.05Å; K15-K20 WeakPolarHBondContact O-CE 3.47Å; T16-K20 PolarHBondContact O-N 3.34Å; F17-K20 PolarHBondContact O-N 3.41Å; K20-F22 PolarHBondContact O-N 3.41Å; K20-L23 PolarHBondContact O-N 3.4Å; K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 2.81Å |
| 21 | R | 96 | Very high | 92.3 | Very high | 166 Ų | 166 | 112.1 Ų | 112.1 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 175.2 | -75.3 | -176.4 | 67.5 | -178.7 | 5.2 | 112.5 | F17 R18 I19 A24 K25 | F17-R21 HydrophobicContact CD1-CG 4.44Å; F17-R21 HydrophobicContact CD2-CG 4.47Å; F17-R21 HydrophobicContact CE1-CG 4.14Å; F17-R21 HydrophobicContact CE2-CG 4.14Å; F17-R21 HydrophobicContact CZ-CG 3.98Å; F17-R21 WeakPolarHBondContact O-CG 3.31Å; F17-R21 PolarHBondContact O-N 2.92Å; R18-R21 PolarHBondContact O-N 3.25Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.39Å; R21-A24 PolarHBondContact O-N 2.9Å; R21-K25 WeakPolarHBondContact O-CB 3.38Å; R21-K25 PolarHBondContact O-N 3.03Å |
| 22 | F | 96.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 108.7 Ų | 108.7 | 33% | 0.329 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.7 | 178.5 | -84.7 | 0 | 0 | 0 | 111.6 | R18 I19 K20 A24 K25 K26 L59 L61 | R18-F22 PolarHBondContact O-N 2.95Å; I19-F22 PolarHBondContact O-N 2.79Å; I19-F22 VanDerWaalsContact O-N 3.16Å; K20-F22 PolarHBondContact O-N 3.41Å; F22-A24 PolarHBondContact O-N 3.09Å; F22-K25 PolarHBondContact O-N 2.82Å; F22-K26 HydrophobicContact CD1-CG 3.93Å; F22-K26 HydrophobicContact CE1-CD 4.33Å; F22-K26 HydrophobicContact CE1-CG 3.6Å; F22-K26 HydrophobicContact CZ-CD 4.23Å; F22-K26 HydrophobicContact CZ-CG 3.97Å; F22-K26 WeakPolarHBondContact O-CG 3Å; F22-K26 PolarHBondContact O-N 2.95Å; F22-L59 HydrophobicContact CE1-CB 4.46Å; F22-L61 HydrophobicContact CD1-CD1 3.69Å; F22-L61 HydrophobicContact CD1-CD2 3.51Å; F22-L61 HydrophobicContact CD1-CG 3.92Å; F22-L61 HydrophobicContact CE1-CD1 3.71Å; F22-L61 HydrophobicContact CE1-CD2 3.57Å; F22-L61 HydrophobicContact CE1-CG 3.66Å; F22-L61 HydrophobicContact CG-CD2 4.06Å; F22-L61 HydrophobicContact CZ-CD2 4.19Å; F22-L61 HydrophobicContact CZ-CG 4.48Å |
| 23 | L | 94.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 106.6 Ų | 106.6 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 178 | -71.9 | 173.2 | 0 | 0 | 0 | 111.3 | K15 I19 K20 K25 K26 Q27 L59 L61 | K15-L23 HydrophobicContact CD-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CD1 3.9Å; I19-L23 HydrophobicContact CG2-CG 4.25Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 3.06Å; K20-L23 PolarHBondContact O-N 3.4Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 3.32Å; L23-K26 PolarHBondContact O-N 2.77Å; L23-Q27 PolarHBondContact O-N 3.08Å; L23-L59 HydrophobicContact CD2-CD1 3.8Å; L23-L61 HydrophobicContact CD2-CD1 3.34Å; L23-L61 HydrophobicContact CG-CD1 3.95Å |
| 24 | A | 95.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 105.3 Ų | 105.3 | 35% | 0.347 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K20 R21 F22 Q27 K28 | K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 2.81Å; R21-A24 PolarHBondContact O-N 2.9Å; F22-A24 PolarHBondContact O-N 3.09Å; A24-Q27 PolarHBondContact O-N 3.44Å; A24-K28 WeakPolarHBondContact O-CG 3.19Å; A24-K28 PolarHBondContact O-N 3.31Å |
| 25 | K | 96.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 102.6 Ų | 102.6 | 59% | 0.587 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 175.9 | -174.2 | 175.5 | -178 | 176.6 | 0 | 111.5 | R21 F22 L23 Q27 K28 Q29 | R21-K25 WeakPolarHBondContact O-CB 3.38Å; R21-K25 PolarHBondContact O-N 3.03Å; F22-K25 PolarHBondContact O-N 2.82Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 3.32Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.01Å; K25-K28 PolarHBondContact O-N 3.44Å; K25-Q29 VanDerWaalsContact O-CG 3.31Å; K25-Q29 WeakPolarHBondContact O-CG 3.33Å; K25-Q29 PolarHBondContact O-N 3.33Å |
| 26 | K | 95.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 105.8 Ų | 105.8 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | 178.3 | -68.6 | -64.7 | -176.4 | 179.7 | 0 | 112.3 | F22 L23 N30 L59 | F22-K26 HydrophobicContact CD1-CG 3.93Å; F22-K26 HydrophobicContact CE1-CD 4.33Å; F22-K26 HydrophobicContact CE1-CG 3.6Å; F22-K26 HydrophobicContact CZ-CD 4.23Å; F22-K26 HydrophobicContact CZ-CG 3.97Å; F22-K26 WeakPolarHBondContact O-CG 3Å; F22-K26 PolarHBondContact O-N 2.95Å; L23-K26 PolarHBondContact O-N 2.77Å; K26-N30 PolarHBondContact O-N 3Å; K26-L59 HydrophobicContact CB-CD1 4.23Å; K26-L59 HydrophobicContact CB-CD2 4.11Å; K26-L59 HydrophobicContact CD-CD2 4.01Å; K26-L59 HydrophobicContact CG-CD1 4.39Å; K26-L59 HydrophobicContact CG-CD2 3.86Å |
| 27 | Q | 95.1 | Very high | 95.5 | Very high | 159 Ų | 159 | 103.6 Ų | 103.6 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 173.4 | -168.4 | 174.5 | 24.2 | 0 | 0 | 111.3 | L23 A24 K25 Q29 N30 | L23-Q27 PolarHBondContact O-N 3.08Å; A24-Q27 PolarHBondContact O-N 3.44Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.01Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.27Å; Q27-N30 PolarHBondContact O-N 3.15Å; Q27-N30 VanDerWaalsContact O-N 3.15Å |
| 28 | K | 95.9 | Very high | 95.3 | Very high | 155 Ų | 155 | 103.7 Ų | 103.7 | 67% | 0.674 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -32.4 | 178.5 | -73.4 | -179.7 | 179.1 | -174 | 0 | 113.8 | A24 K25 R31 | A24-K28 WeakPolarHBondContact O-CG 3.19Å; A24-K28 PolarHBondContact O-N 3.31Å; K25-K28 PolarHBondContact O-N 3.44Å; K28-R31 PolarHBondContact O-NH1 2.83Å |
| 29 | Q | 95.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.6 | -26.8 | 177.4 | -74.6 | 177.1 | -17.9 | 0 | 0 | 113 | K25 Q27 R31 | K25-Q29 VanDerWaalsContact O-CG 3.31Å; K25-Q29 WeakPolarHBondContact O-CG 3.33Å; K25-Q29 PolarHBondContact O-N 3.33Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.27Å; Q29-R31 PolarHBondContact O-N 2.95Å |
| 30 | N | 96.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 102.6 Ų | 102.6 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -82.5 | 54.8 | -173.2 | -164.8 | 32 | 0 | 0 | 0 | 113.2 | K26 Q27 R51 R52 | K26-N30 PolarHBondContact O-N 3Å; Q27-N30 PolarHBondContact O-N 3.15Å; Q27-N30 VanDerWaalsContact O-N 3.15Å; N30-R51 WeakPolarHBondContact OD1-CG 3.39Å; N30-R52 VanDerWaalsContact CG-O 3.31Å; N30-R52 PolarHBondContact ND2-O 3.4Å; N30-R52 PolarHBondContact OD1-N 3.42Å; N30-R52 PolarHBondContact OD1-O 3.48Å; N30-R52 VanDerWaalsContact OD1-O 3.08Å |
| 31 | R | 95.2 | Very high | 95.2 | Very high | 159 Ų | 159 | 104.2 Ų | 104.2 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | trans | -119.3 | 153.8 | -177.3 | 63.7 | -177.6 | -177 | -126.5 | 12 | 112.2 | K28 Q29 N48 | K28-R31 PolarHBondContact O-NH1 2.83Å; Q29-R31 PolarHBondContact O-N 2.95Å; R31-N48 PolarHBondContact O-ND2 2.9Å; R31-N48 VanDerWaalsContact O-ND2 3.09Å | ||
| 32 | P | 95.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 100 Ų | 100 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -65 | 163.4 | 169.9 | 27.7 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 33 | I | 94.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 98.4 Ų | 98.4 | 20% | 0.2 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 135.7 | 175.6 | -60.3 | -174.8 | 0 | 0 | 0 | 109.2 | I37 I45 Y47 N48 | I33-I37 HydrophobicContact CG2-CB 3.89Å; I33-I37 HydrophobicContact CG2-CD1 4.39Å; I33-I37 HydrophobicContact CG2-CG2 3.88Å; I33-I45 HydrophobicContact CD1-CG2 3.36Å; I33-Y47 WeakPolarHBondContact CD1-O 3.48Å; I33-N48 HydrophobicContact CD1-CB 4.42Å; I33-N48 HydrophobicContact CG1-CB 3.98Å |
| 34 | P | 95.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 104.9 Ų | 104.9 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.6 | 173.1 | -23.9 | 33.2 | 0 | 0 | 0 | 113.4 | W36 I37 | P34-W36 PolarHBondContact O-N 2.9Å; P34-I37 HydrophobicContact CB-CG1 4.4Å; P34-I37 HydrophobicContact CG-CD1 4.23Å; P34-I37 WeakPolarHBondContact O-CB 3.23Å; P34-I37 PolarHBondContact O-N 2.83Å |
| 35 | Q | 94.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 107.6 Ų | 107.6 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | -174.5 | -176.3 | 64.5 | -2.1 | 0 | 0 | 113.4 | I37 R38 M39 | Q35-I37 PolarHBondContact O-N 2.79Å; Q35-I37 VanDerWaalsContact O-N 3.16Å; Q35-R38 WeakPolarHBondContact O-CA 3.3Å; Q35-R38 VanDerWaalsContact O-CB 3.31Å; Q35-R38 WeakPolarHBondContact O-CB 3.47Å; Q35-R38 PolarHBondContact O-N 2.79Å; Q35-M39 HydrophobicContact CG-CE 4.5Å; Q35-M39 PolarHBondContact O-N 2.69Å |
| 36 | W | 96 | Very high | 94.4 | Very high | 149 Ų | 149 | 110.5 Ų | 110.5 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -26.1 | -179.9 | 65.7 | -94.2 | 0 | 0 | 0 | 113.6 | P34 R38 M39 K40 | P34-W36 PolarHBondContact O-N 2.9Å; W36-R38 VanDerWaalsContact C-N 3.32Å; W36-M39 HydrophobicContact CB-CE 4.1Å; W36-M39 PolarHBondContact O-N 3.22Å; W36-K40 VanDerWaalsContact CE3-CE 3.45Å; W36-K40 HydrophobicContact CZ3-CD 4.48Å; W36-K40 VanDerWaalsContact CZ3-NZ 3.3Å; W36-K40 PolarHBondContact O-N 2.94Å |
| 37 | I | 95 | Very high | 94.4 | Very high | 42 Ų | 42 | 115.5 Ų | 115.5 | 22% | 0.215 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 173.7 | -64.4 | -172.4 | 0 | 0 | 0 | 110.6 | I33 P34 Q35 M39 K40 N43 | I33-I37 HydrophobicContact CG2-CB 3.89Å; I33-I37 HydrophobicContact CG2-CD1 4.39Å; I33-I37 HydrophobicContact CG2-CG2 3.88Å; P34-I37 HydrophobicContact CB-CG1 4.4Å; P34-I37 HydrophobicContact CG-CD1 4.23Å; P34-I37 WeakPolarHBondContact O-CB 3.23Å; P34-I37 PolarHBondContact O-N 2.83Å; Q35-I37 PolarHBondContact O-N 2.79Å; Q35-I37 VanDerWaalsContact O-N 3.16Å; I37-M39 PolarHBondContact O-N 2.92Å; I37-K40 PolarHBondContact O-N 3.49Å; I37-N43 VanDerWaalsContact CG2-ND2 3.3Å; I37-N43 WeakPolarHBondContact CG2-ND2 3.37Å; I37-N43 PolarHBondContact O-ND2 3.45Å |
| 38 | R | 92.1 | Very high | 94.4 | Very high | 153 Ų | 153 | 110.1 Ų | 110.1 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -28.6 | 176.4 | -62.9 | 175 | 62 | -175.4 | 5.7 | 112.2 | Q35 W36 K40 | Q35-R38 WeakPolarHBondContact O-CA 3.3Å; Q35-R38 VanDerWaalsContact O-CB 3.31Å; Q35-R38 WeakPolarHBondContact O-CB 3.47Å; Q35-R38 PolarHBondContact O-N 2.79Å; W36-R38 VanDerWaalsContact C-N 3.32Å; R38-K40 VanDerWaalsContact C-N 3.33Å |
| 39 | M | 93 | Very high | 94.3 | Very high | 135 Ų | 135 | 107.3 Ų | 107.3 | 67% | 0.665 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.7 | -179.6 | -59.1 | -170.2 | -66.7 | 0 | 0 | 113.2 | Q35 W36 I37 T41 | Q35-M39 HydrophobicContact CG-CE 4.5Å; Q35-M39 PolarHBondContact O-N 2.69Å; W36-M39 HydrophobicContact CB-CE 4.1Å; W36-M39 PolarHBondContact O-N 3.22Å; I37-M39 PolarHBondContact O-N 2.92Å; M39-T41 PolarHBondContact O-N 3.4Å |
| 40 | K | 95.1 | Very high | 94.2 | Very high | 110 Ų | 110 | 111.7 Ų | 111.7 | 48% | 0.478 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -67.2 | 129 | 176.2 | -65.1 | -169 | -170.5 | -170.1 | 0 | 111.1 | W36 I37 R38 N43 | W36-K40 VanDerWaalsContact CE3-CE 3.45Å; W36-K40 HydrophobicContact CZ3-CD 4.48Å; W36-K40 VanDerWaalsContact CZ3-NZ 3.3Å; W36-K40 PolarHBondContact O-N 2.94Å; I37-K40 PolarHBondContact O-N 3.49Å; R38-K40 VanDerWaalsContact C-N 3.33Å; K40-N43 HydrophobicContact CB-CB 4.28Å; K40-N43 WeakPolarHBondContact O-CB 3.39Å; K40-N43 PolarHBondContact O-N 3.39Å |
| 41 | T | 95.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 116.2 Ų | 116.2 | 90% | 0.902 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 141.7 | 173.8 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | M39 N43 | M39-T41 PolarHBondContact O-N 3.4Å; T41-N43 PolarHBondContact O-N 2.94Å |
| 42 | G | 93.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 111.7 Ų | 111.7 | 79% | 0.794 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 6.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 43 | N | 90.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 111.8 Ų | 111.8 | 22% | 0.219 | 53% | 0.533 | C | S | . | . | trans | -80.5 | 123.6 | -179.9 | -170.4 | 7.5 | 0 | 0 | 0 | 112.6 | I37 K40 T41 I45 | I37-N43 VanDerWaalsContact CG2-ND2 3.3Å; I37-N43 WeakPolarHBondContact CG2-ND2 3.37Å; I37-N43 PolarHBondContact O-ND2 3.45Å; K40-N43 HydrophobicContact CB-CB 4.28Å; K40-N43 WeakPolarHBondContact O-CB 3.39Å; K40-N43 PolarHBondContact O-N 3.39Å; T41-N43 PolarHBondContact O-N 2.94Å; N43-I45 WeakPolarHBondContact OD1-CB 3.41Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.31Å; N43-I45 PolarHBondContact OD1-N 2.89Å | ||
| 44 | K | 92.8 | Very high | 94.3 | Very high | 194 Ų | 194 | 116.8 Ų | 116.8 | 84% | 0.843 | 55% | 0.549 | S | S | * | . | trans | -86.6 | -15.8 | 176.1 | -64 | 179 | 179.6 | 178 | 0 | 113.4 | R46 | K44-R46 PolarHBondContact O-N 3.19Š| ||
| 45 | I | 92.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 122.5 Ų | 122.5 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | trans | -79.1 | 117.1 | -172.9 | -55.3 | 166.6 | 0 | 0 | 0 | 110.3 | I33 N43 | I33-I45 HydrophobicContact CD1-CG2 3.36Å; N43-I45 WeakPolarHBondContact OD1-CB 3.41Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.31Å; N43-I45 PolarHBondContact OD1-N 2.89Å | ||
| 46 | R | 91.9 | Very high | 94.4 | Very high | 195 Ų | 195 | 127.8 Ų | 127.8 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | trans | -101.3 | -41.8 | 179.7 | -59.3 | -59.1 | -179.5 | 119.9 | -5.4 | 114 | K44 | K44-R46 PolarHBondContact O-N 3.19Š| ||
| 47 | Y | 94.4 | Very high | 94.4 | Very high | 178 Ų | 178 | 124.3 Ų | 124.3 | 70% | 0.698 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -142 | 163.5 | -179.4 | 65.9 | -87.8 | 0 | 0 | 0 | 110.7 | I33 S49 | I33-Y47 WeakPolarHBondContact CD1-O 3.48Å; Y47-S49 PolarHBondContact O-N 3.06Å |
| 48 | N | 95.6 | Very high | 94.3 | Very high | 46 Ų | 46 | 129.5 Ų | 129.5 | 25% | 0.246 | 60% | 0.595 | C | S | . | * | trans | -80.2 | 99.1 | 177.4 | 179.4 | 1.9 | 0 | 0 | 0 | 109.5 | R31 I33 K50 R51 | R31-N48 PolarHBondContact O-ND2 2.9Å; R31-N48 VanDerWaalsContact O-ND2 3.09Å; I33-N48 HydrophobicContact CD1-CB 4.42Å; I33-N48 HydrophobicContact CG1-CB 3.98Å; N48-K50 PolarHBondContact O-N 2.98Å; N48-K50 PolarHBondContact OD1-N 3.3Å; N48-R51 HydrophobicContact CB-CB 4.24Å; N48-R51 VanDerWaalsContact O-CB 3.23Å; N48-R51 WeakPolarHBondContact O-CB 3.42Å; N48-R51 PolarHBondContact O-N 2.97Å; N48-R51 PolarHBondContact OD1-N 2.91Å | ||
| 49 | S | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -23.7 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | Y47 R51 | Y47-S49 PolarHBondContact O-N 3.06Å; S49-R51 VanDerWaalsContact C-N 3.33Å |
| 50 | K | 94.5 | Very high | 94.1 | Very high | 187 Ų | 187 | 121.9 Ų | 121.9 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 5.9 | 178.7 | -60.6 | -179.2 | -179.9 | 177.8 | 0 | 113 | N48 | N48-K50 PolarHBondContact O-N 2.98Å; N48-K50 PolarHBondContact OD1-N 3.3Å |
| 51 | R | 96.1 | Very high | 93.6 | Very high | 148 Ų | 148 | 123 Ų | 123 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | trans | -65.3 | 135.2 | 176.3 | -167.5 | 178.4 | 177.9 | 157.6 | -1.3 | 109.6 | N30 N48 S49 | N30-R51 WeakPolarHBondContact OD1-CG 3.39Å; N48-R51 HydrophobicContact CB-CB 4.24Å; N48-R51 VanDerWaalsContact O-CB 3.23Å; N48-R51 WeakPolarHBondContact O-CB 3.42Å; N48-R51 PolarHBondContact O-N 2.97Å; N48-R51 PolarHBondContact OD1-N 2.91Å; S49-R51 VanDerWaalsContact C-N 3.33Å | ||
| 52 | R | 96.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 121.8 Ų | 121.8 | 24% | 0.238 | 58% | 0.582 | C | S | . | * | trans | -119 | 138.4 | -171.2 | -164 | -173.1 | 54.5 | 85.9 | 2.8 | 111 | N30 T57 | N30-R52 VanDerWaalsContact CG-O 3.31Å; N30-R52 PolarHBondContact ND2-O 3.4Å; N30-R52 PolarHBondContact OD1-N 3.42Å; N30-R52 PolarHBondContact OD1-O 3.48Å; N30-R52 VanDerWaalsContact OD1-O 3.08Å; R52-T57 WeakPolarHBondContact CG-OG1 3.42Å; R52-T57 PolarHBondContact NH1-O 3.19Å | ||
| 53 | H | 96.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 124.1 Ų | 124.1 | 39% | 0.389 | 57% | 0.571 | S | S | . | * | trans | -105.1 | 133.8 | 166.7 | -175.7 | 69.2 | 0 | 0 | 0 | 110.3 | R55 R56 T57 | H53-R55 VanDerWaalsContact C-N 3.31Å; H53-R55 PolarHBondContact CD2-N 3.37Å; H53-R55 WeakPolarHBondContact NE2-CB 3.21Å; H53-R55 WeakPolarHBondContact NE2-CG 3.45Å; H53-R55 PolarHBondContact O-N 3.16Å; H53-R56 HydrophobicContact CB-CB 4.46Å; H53-R56 PolarHBondContact O-N 3.02Å; H53-T57 PolarHBondContact O-N 3.28Å | ||
| 54 | W | 94.7 | Very high | 93.6 | Very high | 143 Ų | 143 | 128.7 Ų | 128.7 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -24.4 | -170.7 | 65.5 | -95.2 | 0 | 0 | 0 | 114.7 | K58 | W54-K58 PolarHBondContact O-NZ 3.49Š|
| 55 | R | 95.7 | Very high | 93.7 | Very high | 177 Ų | 177 | 124.9 Ų | 124.9 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -35.7 | 173.3 | -59.8 | -177.6 | 174.8 | 177.6 | -1.9 | 112.4 | H53 | H53-R55 VanDerWaalsContact C-N 3.31Å; H53-R55 PolarHBondContact CD2-N 3.37Å; H53-R55 WeakPolarHBondContact NE2-CB 3.21Å; H53-R55 WeakPolarHBondContact NE2-CG 3.45Å; H53-R55 PolarHBondContact O-N 3.16Å |
| 56 | R | 96.6 | Very high | 93.7 | Very high | 221 Ų | 221 | 126.5 Ų | 126.5 | 83% | 0.834 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -44.7 | -174 | -68.9 | -177.3 | -173.5 | 173.7 | 1.1 | 112.9 | H53 | H53-R56 HydrophobicContact CB-CB 4.46Å; H53-R56 PolarHBondContact O-N 3.02Å |
| 57 | T | 95 | Very high | 93.9 | Very high | 75 Ų | 75 | 121.9 Ų | 121.9 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -132.7 | 126.5 | -175 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | R52 H53 | R52-T57 WeakPolarHBondContact CG-OG1 3.42Å; R52-T57 PolarHBondContact NH1-O 3.19Å; H53-T57 PolarHBondContact O-N 3.28Å |
| 58 | K | 94.3 | Very high | 93.8 | Very high | 151 Ų | 151 | 117.9 Ų | 117.9 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | trans | -88.6 | 162.6 | -177.4 | -57 | -57.2 | -178.9 | -172.6 | 0 | 111.6 | W54 | W54-K58 PolarHBondContact O-NZ 3.49Š| ||
| 59 | L | 92 | Very high | 93.7 | Very high | 49 Ų | 49 | 123.5 Ų | 123.5 | 26% | 0.257 | 58% | 0.584 | S | S | . | * | trans | -88.2 | -14.3 | -174.8 | -74.3 | 175.7 | 0 | 0 | 0 | 114.3 | F22 L23 K26 L61 | F22-L59 HydrophobicContact CE1-CB 4.46Å; L23-L59 HydrophobicContact CD2-CD1 3.8Å; K26-L59 HydrophobicContact CB-CD1 4.23Å; K26-L59 HydrophobicContact CB-CD2 4.11Å; K26-L59 HydrophobicContact CD-CD2 4.01Å; K26-L59 HydrophobicContact CG-CD1 4.39Å; K26-L59 HydrophobicContact CG-CD2 3.86Å; L59-L61 HydrophobicContact CB-CD1 4.12Å; L59-L61 HydrophobicContact CB-CG 4.33Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å | ||
| 60 | G | 87.6 | Confident | 93.7 | Very high | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 58% | 0.577 | S | S | * | * | trans | 56.2 | 64 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 61 | L | 85 | Confident | 93.6 | Very high | 133 Ų | 133 | 120.3 Ų | 120.3 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | trans | -113.8 | 0 | -179 | -83.9 | 166.1 | 0 | 0 | 0 | 110.6 | F22 L23 L59 | F22-L61 HydrophobicContact CD1-CD1 3.69Å; F22-L61 HydrophobicContact CD1-CD2 3.51Å; F22-L61 HydrophobicContact CD1-CG 3.92Å; F22-L61 HydrophobicContact CE1-CD1 3.71Å; F22-L61 HydrophobicContact CE1-CD2 3.57Å; F22-L61 HydrophobicContact CE1-CG 3.66Å; F22-L61 HydrophobicContact CG-CD2 4.06Å; F22-L61 HydrophobicContact CZ-CD2 4.19Å; F22-L61 HydrophobicContact CZ-CG 4.48Å; L23-L61 HydrophobicContact CD2-CD1 3.34Å; L23-L61 HydrophobicContact CG-CD1 3.95Å; L59-L61 HydrophobicContact CB-CD1 4.12Å; L59-L61 HydrophobicContact CB-CG 4.33Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å |
Retrieved 61 of 61 residues in 35.8 ms
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