| 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 | 52.2 | Low | 52.8 | Low | 244 Ų | 244 | 132.9 Ų | 132.9 | 100% | 1.202 | 73% | 0.726 | S | S | * | * | 0 | 116.7 | 0 | -70.8 | 158 | 99 | 0 | 0 | 105.7 | D3 | M1-D3 PolarHBondContact O-N 2.87Š| |||
| 2 | V | 52.2 | Low | 52.2 | Low | 145 Ų | 145 | 131.2 Ų | 131.2 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | -73.7 | 115.2 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | K4 | V2-K4 PolarHBondContact O-N 3.25Š| ||
| 3 | D | 51.7 | Low | 51.7 | Low | 120 Ų | 120 | 128 Ų | 128 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | trans | -61.3 | 119.2 | -177.2 | -150.4 | -69.3 | 0 | 0 | 0 | 109.5 | M1 S5 | M1-D3 PolarHBondContact O-N 2.87Å; D3-S5 PolarHBondContact O-N 3.17Å; D3-S5 VanDerWaalsContact OD1-CB 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.32Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 PolarHBondContact OD1-OG 3.37Å | ||
| 4 | K | 59.1 | Low | 51.4 | Low | 182 Ų | 182 | 129.7 Ų | 129.7 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -79.3 | 4.5 | -175.2 | -88.6 | -177.6 | 172.3 | -173.7 | 0 | 113.3 | V2 | V2-K4 PolarHBondContact O-N 3.25Š|
| 5 | S | 60.6 | Low | 51.4 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -84.7 | -12.8 | -172.5 | -52 | 0 | 0 | 0 | 0 | 114.6 | D3 | D3-S5 PolarHBondContact O-N 3.17Å; D3-S5 VanDerWaalsContact OD1-CB 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.32Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 PolarHBondContact OD1-OG 3.37Å |
| 6 | E | 50.5 | Low | 51.8 | Low | 169 Ų | 169 | 125.9 Ų | 125.9 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -88.2 | -9.3 | -173.8 | -146.1 | 175.4 | 107.2 | 0 | 0 | 114.1 | ||
| 7 | I | 51.4 | Low | 52.3 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -86.8 | -18.7 | -171.7 | -60.8 | 159.8 | 0 | 0 | 0 | 112.5 | ||
| 8 | S | 53 | Low | 53.2 | Low | 94 Ų | 94 | 123.8 Ų | 123.8 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -87.8 | -21.2 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 9 | A | 48.4 | Very low | 54.4 | Low | 71 Ų | 71 | 121.4 Ų | 121.4 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.8 | -24 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V13 | A9-V13 WeakPolarHBondContact O-CG2 3.32Å |
| 10 | T | 51.6 | Low | 55.9 | Low | 89 Ų | 89 | 122 Ų | 122 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -84.6 | -34.7 | -177.4 | 34.7 | 0 | 0 | 0 | 0 | 113.4 | V13 E14 | T10-V13 PolarHBondContact O-N 3.5Å; T10-E14 PolarHBondContact O-N 3.3Å |
| 11 | Q | 50.4 | Low | 57.2 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.6 | -33.2 | -179.7 | -79.4 | -172.2 | -19.1 | 0 | 0 | 114 | T15 | Q11-T15 PolarHBondContact O-N 3.32Å; Q11-T15 PolarHBondContact O-OG1 3.42Å |
| 12 | D | 45.5 | Very low | 58.8 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 60% | 0.599 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -33.7 | 179.2 | -149.3 | -88.8 | 0 | 0 | 0 | 111.4 | T15 H16 | D12-T15 PolarHBondContact O-OG1 3.29Å; D12-H16 WeakPolarHBondContact O-CB 3.43Å; D12-H16 PolarHBondContact O-N 3.32Å |
| 13 | V | 45.4 | Very low | 60.6 | Low | 90 Ų | 90 | 115.4 Ų | 115.4 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.8 | -36.7 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | A9 T10 H17 | A9-V13 WeakPolarHBondContact O-CG2 3.32Å; T10-V13 PolarHBondContact O-N 3.5Å; V13-H17 PolarHBondContact O-N 3.05Å |
| 14 | E | 47.8 | Very low | 62.4 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 71% | 0.71 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.6 | -43.6 | -177.8 | -139.6 | 180 | 113.3 | 0 | 0 | 112.3 | T10 H16 H17 D18 | T10-E14 PolarHBondContact O-N 3.3Å; E14-H16 VanDerWaalsContact C-N 3.32Å; E14-H16 PolarHBondContact O-N 3.41Å; E14-H17 PolarHBondContact O-N 2.75Å; E14-D18 PolarHBondContact O-N 3.35Å |
| 15 | T | 51.2 | Low | 63.8 | Low | 91 Ų | 91 | 113 Ų | 113 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67 | -32.4 | 177 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | Q11 D12 S19 | Q11-T15 PolarHBondContact O-N 3.32Å; Q11-T15 PolarHBondContact O-OG1 3.42Å; D12-T15 PolarHBondContact O-OG1 3.29Å; T15-S19 PolarHBondContact O-N 3.3Å; T15-S19 PolarHBondContact O-OG 3.23Å |
| 16 | H | 57.6 | Low | 65.3 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 50% | 0.495 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.8 | -28.6 | 179.1 | -143.4 | -54.1 | 0 | 0 | 0 | 112.9 | D12 E14 K20 | D12-H16 WeakPolarHBondContact O-CB 3.43Å; D12-H16 PolarHBondContact O-N 3.32Å; E14-H16 VanDerWaalsContact C-N 3.32Å; E14-H16 PolarHBondContact O-N 3.41Å; H16-K20 PolarHBondContact O-N 3.34Å |
| 17 | H | 61.3 | Low | 67.4 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 61% | 0.606 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.1 | -43.6 | 173.3 | -106.8 | -94.1 | 0 | 0 | 0 | 111.9 | V13 E14 S19 K20 Q21 | V13-H17 PolarHBondContact O-N 3.05Å; E14-H17 PolarHBondContact O-N 2.75Å; H17-S19 VanDerWaalsContact C-N 3.34Å; H17-S19 PolarHBondContact O-N 3.3Å; H17-K20 PolarHBondContact O-N 3.27Å; H17-Q21 WeakPolarHBondContact O-CB 3.26Å; H17-Q21 PolarHBondContact O-N 3.14Å |
| 18 | D | 67.1 | Low | 69.4 | Low | 84 Ų | 84 | 107.6 Ų | 107.6 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | -179.8 | -161.8 | -88.7 | 0 | 0 | 0 | 111.6 | E14 K20 Q21 K22 | E14-D18 PolarHBondContact O-N 3.35Å; D18-K20 PolarHBondContact O-N 3.36Å; D18-Q21 PolarHBondContact O-N 3.46Å; D18-Q21 VanDerWaalsContact O-N 3.14Å; D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.4Å |
| 19 | S | 77.4 | Confident | 71.3 | Confident | 77 Ų | 77 | 105.5 Ų | 105.5 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 177.7 | -66.2 | 0 | 0 | 0 | 0 | 113 | T15 H17 K23 | T15-S19 PolarHBondContact O-N 3.3Å; T15-S19 PolarHBondContact O-OG 3.23Å; H17-S19 VanDerWaalsContact C-N 3.34Å; H17-S19 PolarHBondContact O-N 3.3Å; S19-K23 WeakPolarHBondContact O-CB 3.5Å; S19-K23 PolarHBondContact O-N 2.87Å |
| 20 | K | 82.9 | Confident | 73.5 | Confident | 133 Ų | 133 | 106.6 Ų | 106.6 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 175.9 | -75.4 | 179.3 | -179.8 | 171.7 | 0 | 111.3 | H16 H17 D18 K23 K24 | H16-K20 PolarHBondContact O-N 3.34Å; H17-K20 PolarHBondContact O-N 3.27Å; D18-K20 PolarHBondContact O-N 3.36Å; K20-K23 PolarHBondContact O-N 2.99Å; K20-K24 PolarHBondContact O-N 3.11Å; K20-K24 VanDerWaalsContact O-N 3.11Å |
| 21 | Q | 84 | Confident | 75.6 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70 | -42.1 | -179.1 | -143.7 | -170.8 | 29.9 | 0 | 0 | 111.4 | H17 D18 K23 K24 R25 | H17-Q21 WeakPolarHBondContact O-CB 3.26Å; H17-Q21 PolarHBondContact O-N 3.14Å; D18-Q21 PolarHBondContact O-N 3.46Å; D18-Q21 VanDerWaalsContact O-N 3.14Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.11Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 3.38Å; Q21-K24 VanDerWaalsContact O-N 3.11Å; Q21-R25 WeakPolarHBondContact O-CG 3.44Å; Q21-R25 PolarHBondContact O-N 3.49Å |
| 22 | K | 85.8 | Confident | 77.6 | Confident | 116 Ų | 116 | 101.1 Ų | 101.1 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 172.5 | -174.2 | 175.6 | -179.7 | 176.3 | 0 | 111.5 | D18 K24 R25 N26 | D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.4Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.44Å; K22-R25 PolarHBondContact O-N 2.89Å; K22-N26 PolarHBondContact O-N 3.35Å; K22-N26 PolarHBondContact O-OD1 3.18Å |
| 23 | K | 89.8 | Confident | 80 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 63% | 0.63 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 175.4 | -167.6 | 171.4 | -174.7 | 172.3 | 0 | 112.3 | S19 K20 Q21 K27 | S19-K23 WeakPolarHBondContact O-CB 3.5Å; S19-K23 PolarHBondContact O-N 2.87Å; K20-K23 PolarHBondContact O-N 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.11Å; K23-K27 WeakPolarHBondContact O-CB 3.43Å; K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 2.98Å; K23-K27 VanDerWaalsContact O-N 3.12Å |
| 24 | K | 89.9 | Confident | 82.3 | Confident | 162 Ų | 162 | 101.6 Ų | 101.6 | 70% | 0.704 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 173.2 | -75.6 | -177.3 | 176.1 | -176.9 | 0 | 112 | K20 Q21 K22 K27 F28 | K20-K24 PolarHBondContact O-N 3.11Å; K20-K24 VanDerWaalsContact O-N 3.11Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 3.38Å; Q21-K24 VanDerWaalsContact O-N 3.11Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.44Å; K24-K27 PolarHBondContact O-N 3.18Å; K24-F28 PolarHBondContact O-N 3.45Å |
| 25 | R | 88.4 | Confident | 84.6 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.9 | -69 | -169.8 | -63 | -98.1 | 3.3 | 111.8 | Q21 K22 K27 F28 I29 | Q21-R25 WeakPolarHBondContact O-CG 3.44Å; Q21-R25 PolarHBondContact O-N 3.49Å; K22-R25 PolarHBondContact O-N 2.89Å; R25-K27 PolarHBondContact O-N 2.89Å; R25-F28 WeakPolarHBondContact O-CB 3.42Å; R25-F28 PolarHBondContact O-N 3.46Å; R25-I29 WeakPolarHBondContact O-CG1 3.47Å; R25-I29 PolarHBondContact O-N 3.12Å |
| 26 | N | 92.1 | Very high | 86.6 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 47% | 0.465 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 177.7 | -77.3 | 25 | 0 | 0 | 0 | 111.7 | K22 F28 I29 D30 | K22-N26 PolarHBondContact O-N 3.35Å; K22-N26 PolarHBondContact O-OD1 3.18Å; N26-F28 VanDerWaalsContact C-N 3.28Å; N26-F28 PolarHBondContact O-N 2.92Å; N26-I29 PolarHBondContact O-N 3.36Å; N26-D30 WeakPolarHBondContact O-CB 3.28Å; N26-D30 VanDerWaalsContact O-CG 3.3Å; N26-D30 PolarHBondContact O-N 2.94Å |
| 27 | K | 94.3 | Very high | 88.3 | Confident | 129 Ų | 129 | 96.7 Ų | 96.7 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | 175.4 | -81.6 | -172.8 | 174.1 | -166.2 | 0 | 112.7 | K23 K24 R25 L31 | K23-K27 WeakPolarHBondContact O-CB 3.43Å; K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 2.98Å; K23-K27 VanDerWaalsContact O-N 3.12Å; K24-K27 PolarHBondContact O-N 3.18Å; R25-K27 PolarHBondContact O-N 2.89Å; K27-L31 WeakPolarHBondContact O-CB 3.37Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.15Å; K27-L31 PolarHBondContact O-N 3.15Å |
| 28 | F | 93 | Very high | 89.8 | Confident | 48 Ų | 48 | 99.3 Ų | 99.3 | 21% | 0.211 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.8 | -52.3 | 176.8 | 172.9 | -102.4 | 0 | 0 | 0 | 110.7 | K24 R25 N26 D30 L31 T32 K52 Y53 L56 | K24-F28 PolarHBondContact O-N 3.45Å; R25-F28 WeakPolarHBondContact O-CB 3.42Å; R25-F28 PolarHBondContact O-N 3.46Å; N26-F28 VanDerWaalsContact C-N 3.28Å; N26-F28 PolarHBondContact O-N 2.92Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 3.16Å; F28-L31 PolarHBondContact O-N 3.36Å; F28-L31 VanDerWaalsContact O-N 3.14Å; F28-T32 WeakPolarHBondContact O-CB 3.47Å; F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.28Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å; F28-K52 HydrophobicContact CE1-CB 4.49Å; F28-K52 HydrophobicContact CZ-CB 3.84Å; F28-Y53 HydrophobicContact CD1-CD2 4.15Å; F28-Y53 HydrophobicContact CD1-CE1 4.31Å; F28-Y53 AromaticContact CD1-CE2 3.56Å; F28-Y53 HydrophobicContact CD1-CE2 3.56Å; F28-Y53 AromaticContact CD1-CZ 3.65Å; F28-Y53 HydrophobicContact CE1-CD1 4.42Å; F28-Y53 AromaticContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CE1 4.34Å; F28-Y53 AromaticContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CG 4.07Å; F28-Y53 AromaticContact CE1-CZ 3.92Å; F28-L56 HydrophobicContact CD2-CD1 3.81Å; F28-L56 HydrophobicContact CE1-CD1 4.18Å; F28-L56 HydrophobicContact CE2-CD1 3.14Å; F28-L56 HydrophobicContact CZ-CD1 3.34Å |
| 29 | I | 93.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 100.7 Ų | 100.7 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56 | -47.9 | 177.6 | -66 | 165.7 | 0 | 0 | 0 | 110.9 | R25 N26 L31 T32 L33 I49 Y53 | R25-I29 WeakPolarHBondContact O-CG1 3.47Å; R25-I29 PolarHBondContact O-N 3.12Å; N26-I29 PolarHBondContact O-N 3.36Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.88Å; I29-T32 PolarHBondContact O-N 3.33Å; I29-L33 HydrophobicContact CG2-CD1 3.77Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.25Å; I29-L33 PolarHBondContact O-N 3.35Å; I29-I49 HydrophobicContact CG1-CG2 4.36Å; I29-I49 HydrophobicContact CG2-CD1 3.79Å; I29-Y53 HydrophobicContact CG1-CE2 4.13Å |
| 30 | D | 94.1 | Very high | 92 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 179.9 | -72.9 | -20.3 | 0 | 0 | 0 | 112.8 | N26 F28 K34 | N26-D30 WeakPolarHBondContact O-CB 3.28Å; N26-D30 VanDerWaalsContact O-CG 3.3Å; N26-D30 PolarHBondContact O-N 2.94Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 3.16Å; D30-K34 VanDerWaalsContact O-CG 3.31Å; D30-K34 WeakPolarHBondContact O-CG 3.27Å; D30-K34 PolarHBondContact O-N 3.06Å |
| 31 | L | 95.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.2 | -45.6 | 177.5 | -72.9 | 170.8 | 0 | 0 | 0 | 111.2 | K27 F28 I29 L33 K34 | K27-L31 WeakPolarHBondContact O-CB 3.37Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.15Å; K27-L31 PolarHBondContact O-N 3.15Å; F28-L31 PolarHBondContact O-N 3.36Å; F28-L31 VanDerWaalsContact O-N 3.14Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.88Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 2.93Å; L31-K34 WeakPolarHBondContact O-CB 3.4Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-K34 VanDerWaalsContact O-N 3.12Å |
| 32 | T | 94.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 93.6 Ų | 93.6 | 4% | 0.037 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 177.5 | -61 | 0 | 0 | 0 | 0 | 111.7 | F28 I29 K34 E35 Y48 I49 K52 | F28-T32 WeakPolarHBondContact O-CB 3.47Å; F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.28Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å; I29-T32 PolarHBondContact O-N 3.33Å; T32-K34 PolarHBondContact O-N 3.41Å; T32-E35 WeakPolarHBondContact O-CB 3.19Å; T32-E35 PolarHBondContact O-N 3.49Å; T32-Y48 HydrophobicContact CG2-CD1 3.58Å; T32-Y48 HydrophobicContact CG2-CE1 3.54Å; T32-I49 HydrophobicContact CG2-CG1 4.36Å; T32-K52 HydrophobicContact CG2-CB 4.07Å; T32-K52 HydrophobicContact CG2-CG 3.8Å |
| 33 | L | 94.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 93.8 Ų | 93.8 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -22.8 | 178 | -74.3 | 178.1 | 0 | 0 | 0 | 113.7 | I29 L31 E35 L36 K45 I49 | I29-L33 HydrophobicContact CG2-CD1 3.77Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.25Å; I29-L33 PolarHBondContact O-N 3.35Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 2.93Å; L33-E35 VanDerWaalsContact C-N 3.27Å; L33-L36 HydrophobicContact CD2-CD1 4.35Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-K45 HydrophobicContact CD2-CB 3.68Å; L33-K45 HydrophobicContact CD2-CD 4.12Å; L33-K45 HydrophobicContact CD2-CG 3.73Å; L33-I49 HydrophobicContact CD1-CD1 4.21Å; L33-I49 HydrophobicContact CD2-CD1 3.69Å; L33-I49 HydrophobicContact CD2-CG1 4.14Å; L33-I49 HydrophobicContact CG-CD1 3.93Å; L33-I49 HydrophobicContact CG-CG1 4.41Å |
| 34 | K | 95.2 | Very high | 94.1 | Very high | 161 Ų | 161 | 89.9 Ų | 89.9 | 70% | 0.7 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.7 | -18.9 | 175.5 | -73.9 | 170.2 | -176.4 | -177.9 | 0 | 113.3 | D30 L31 T32 L36 | D30-K34 VanDerWaalsContact O-CG 3.31Å; D30-K34 WeakPolarHBondContact O-CG 3.27Å; D30-K34 PolarHBondContact O-N 3.06Å; L31-K34 WeakPolarHBondContact O-CB 3.4Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-K34 VanDerWaalsContact O-N 3.12Å; T32-K34 PolarHBondContact O-N 3.41Å; K34-L36 VanDerWaalsContact C-N 3.26Å |
| 35 | E | 94.5 | Very high | 94.5 | Very high | 133 Ų | 133 | 84.9 Ų | 84.9 | 62% | 0.621 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.2 | 175.9 | -58 | -173.2 | 131.5 | 0 | 0 | 111.8 | T32 L33 Y48 | T32-E35 WeakPolarHBondContact O-CB 3.19Å; T32-E35 PolarHBondContact O-N 3.49Å; L33-E35 VanDerWaalsContact C-N 3.27Å; E35-Y48 HydrophobicContact CB-CE1 4.38Å; E35-Y48 PolarHBondContact OE2-OH 3.34Å |
| 36 | L | 93.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 87.1 Ų | 87.1 | 15% | 0.152 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -89.3 | 150.5 | 176.4 | -67.3 | 176.3 | 0 | 0 | 0 | 111.8 | L33 K34 Q38 A40 K45 Y48 | L33-L36 HydrophobicContact CD2-CD1 4.35Å; L33-L36 PolarHBondContact O-N 3.3Å; K34-L36 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.44Å; L36-A40 HydrophobicContact CB-CB 4.39Å; L36-K45 HydrophobicContact CD1-CB 4.3Å; L36-K45 HydrophobicContact CD1-CG 3.83Å; L36-Y48 HydrophobicContact CD1-CD1 3.64Å; L36-Y48 HydrophobicContact CD1-CG 3.96Å; L36-Y48 HydrophobicContact CD2-CD1 3.86Å; L36-Y48 HydrophobicContact CD2-CD2 4.31Å; L36-Y48 HydrophobicContact CD2-CE1 4.17Å; L36-Y48 HydrophobicContact CD2-CG 3.93Å; L36-Y48 HydrophobicContact CG-CD1 3.65Å; L36-Y48 HydrophobicContact CG-CE1 4.04Å; L36-Y48 HydrophobicContact CG-CG 4.15Å |
| 37 | P | 94.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 89.5 Ų | 89.5 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | trans | -55.1 | 140.3 | 167.9 | -21.8 | 31.5 | 0 | 0 | 0 | 111.1 | S39 A40 | P37-S39 PolarHBondContact O-N 2.94Å; P37-S39 VanDerWaalsContact O-N 3.15Å; P37-A40 WeakPolarHBondContact O-CB 3.34Å; P37-A40 PolarHBondContact O-N 3.34Å | ||
| 38 | Q | 90.8 | Very high | 95.2 | Very high | 187 Ų | 187 | 85.8 Ų | 85.8 | 87% | 0.874 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.3 | 178.5 | -73.3 | -171.4 | -12.4 | 0 | 0 | 112.6 | L36 A40 K45 | L36-Q38 PolarHBondContact O-N 3.44Å; Q38-A40 PolarHBondContact O-N 3.48Å; Q38-K45 PolarHBondContact O-NZ 3.05Å; Q38-K45 VanDerWaalsContact O-NZ 3.16Å |
| 39 | S | 95.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 84.9 Ų | 84.9 | 79% | 0.79 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -3.1 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | P37 S41 | P37-S39 PolarHBondContact O-N 2.94Å; P37-S39 VanDerWaalsContact O-N 3.15Å; S39-S41 PolarHBondContact O-N 3.19Å |
| 40 | A | 95.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 85.3 Ų | 85.3 | 14% | 0.14 | 45% | 0.454 | C | S | . | . | trans | -60.1 | 136.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L36 P37 Q38 V44 K45 | L36-A40 HydrophobicContact CB-CB 4.39Å; P37-A40 WeakPolarHBondContact O-CB 3.34Å; P37-A40 PolarHBondContact O-N 3.34Å; Q38-A40 PolarHBondContact O-N 3.48Å; A40-V44 HydrophobicContact CB-CB 4.5Å; A40-V44 HydrophobicContact CB-CG1 4.2Å; A40-K45 HydrophobicContact CB-CG 4.22Å; A40-K45 WeakPolarHBondContact O-CE 3.43Å; A40-K45 PolarHBondContact O-NZ 2.88Å | ||
| 41 | S | 97.5 | Very high | 95.6 | Very high | 59 Ų | 59 | 85.7 Ų | 85.7 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | trans | -64.1 | 159.7 | 177.4 | 69.1 | 0 | 0 | 0 | 0 | 111 | S39 D43 V44 K45 | S39-S41 PolarHBondContact O-N 3.19Å; S41-D43 PolarHBondContact O-N 3.31Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 WeakPolarHBondContact OG-CG2 3.31Å; S41-V44 PolarHBondContact OG-N 3.17Å; S41-K45 WeakPolarHBondContact O-CG 3.42Å; S41-K45 PolarHBondContact O-N 3.35Å | ||
| 42 | S | 95.8 | Very high | 95.7 | Very high | 96 Ų | 96 | 83 Ų | 83 | 67% | 0.671 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.2 | -36.8 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | K45 F46 | S42-K45 PolarHBondContact O-N 2.94Å; S42-F46 WeakPolarHBondContact O-CB 3.49Å; S42-F46 PolarHBondContact O-N 3.48Å |
| 43 | D | 97.7 | Very high | 95.7 | Very high | 120 Ų | 120 | 86.6 Ų | 86.6 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 178.7 | -58.2 | -35.6 | 0 | 0 | 0 | 111.2 | S41 K45 F46 E47 | S41-D43 PolarHBondContact O-N 3.31Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.14Å; D43-F46 PolarHBondContact O-N 3.29Å; D43-F46 VanDerWaalsContact O-N 3.17Å; D43-E47 PolarHBondContact O-N 3.39Å |
| 44 | V | 96.8 | Very high | 95.7 | Very high | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | A40 S41 F46 Y48 | A40-V44 HydrophobicContact CB-CB 4.5Å; A40-V44 HydrophobicContact CB-CG1 4.2Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 WeakPolarHBondContact OG-CG2 3.31Å; S41-V44 PolarHBondContact OG-N 3.17Å; V44-F46 VanDerWaalsContact C-N 3.33Å; V44-F46 PolarHBondContact O-N 3.12Å; V44-Y48 VanDerWaalsContact O-CB 3.27Å; V44-Y48 WeakPolarHBondContact O-CB 3.24Å; V44-Y48 PolarHBondContact O-N 3.02Å |
| 45 | K | 96.3 | Very high | 95.8 | Very high | 57 Ų | 57 | 86.7 Ų | 86.7 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.9 | -75 | 172.8 | 179 | 156.8 | 0 | 111.5 | L33 L36 Q38 A40 S41 S42 D43 I49 | L33-K45 HydrophobicContact CD2-CB 3.68Å; L33-K45 HydrophobicContact CD2-CD 4.12Å; L33-K45 HydrophobicContact CD2-CG 3.73Å; L36-K45 HydrophobicContact CD1-CB 4.3Å; L36-K45 HydrophobicContact CD1-CG 3.83Å; Q38-K45 PolarHBondContact O-NZ 3.05Å; Q38-K45 VanDerWaalsContact O-NZ 3.16Å; A40-K45 HydrophobicContact CB-CG 4.22Å; A40-K45 WeakPolarHBondContact O-CE 3.43Å; A40-K45 PolarHBondContact O-NZ 2.88Å; S41-K45 WeakPolarHBondContact O-CG 3.42Å; S41-K45 PolarHBondContact O-N 3.35Å; S42-K45 PolarHBondContact O-N 2.94Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.14Å; K45-I49 WeakPolarHBondContact O-CD1 3.49Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.46Å; K45-I49 PolarHBondContact O-N 3.03Å |
| 46 | F | 96.4 | Very high | 95.7 | Very high | 136 Ų | 136 | 84.4 Ų | 84.4 | 60% | 0.596 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -52 | 179.1 | 178.8 | -98.3 | 0 | 0 | 0 | 111.9 | S42 D43 V44 Y48 I49 C50 | S42-F46 WeakPolarHBondContact O-CB 3.49Å; S42-F46 PolarHBondContact O-N 3.48Å; D43-F46 PolarHBondContact O-N 3.29Å; D43-F46 VanDerWaalsContact O-N 3.17Å; V44-F46 VanDerWaalsContact C-N 3.33Å; V44-F46 PolarHBondContact O-N 3.12Å; F46-Y48 VanDerWaalsContact C-N 3.26Å; F46-Y48 PolarHBondContact O-N 3.49Å; F46-I49 PolarHBondContact O-N 3.41Å; F46-C50 VanDerWaalsContact CZ-SG 3.58Å; F46-C50 PolarHBondContact O-N 3.18Å; F46-C50 PolarHBondContact O-SG 3.4Å |
| 47 | E | 97.2 | Very high | 95.6 | Very high | 136 Ų | 136 | 89.3 Ų | 89.3 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56 | -43.3 | 177.9 | -75.9 | -176.4 | 169.7 | 0 | 0 | 111.5 | D43 C50 Q51 | D43-E47 PolarHBondContact O-N 3.39Å; E47-C50 WeakPolarHBondContact O-CB 3.48Å; E47-C50 PolarHBondContact O-N 3.37Å; E47-Q51 WeakPolarHBondContact O-CB 3.47Å; E47-Q51 PolarHBondContact O-N 3.31Å |
| 48 | Y | 96.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 88.3 Ų | 88.3 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 179 | -169.4 | -114.5 | 0 | 0 | 0 | 112.9 | T32 E35 L36 V44 F46 C50 Q51 K52 | T32-Y48 HydrophobicContact CG2-CD1 3.58Å; T32-Y48 HydrophobicContact CG2-CE1 3.54Å; E35-Y48 HydrophobicContact CB-CE1 4.38Å; E35-Y48 PolarHBondContact OE2-OH 3.34Å; L36-Y48 HydrophobicContact CD1-CD1 3.64Å; L36-Y48 HydrophobicContact CD1-CG 3.96Å; L36-Y48 HydrophobicContact CD2-CD1 3.86Å; L36-Y48 HydrophobicContact CD2-CD2 4.31Å; L36-Y48 HydrophobicContact CD2-CE1 4.17Å; L36-Y48 HydrophobicContact CD2-CG 3.93Å; L36-Y48 HydrophobicContact CG-CD1 3.65Å; L36-Y48 HydrophobicContact CG-CE1 4.04Å; L36-Y48 HydrophobicContact CG-CG 4.15Å; V44-Y48 VanDerWaalsContact O-CB 3.27Å; V44-Y48 WeakPolarHBondContact O-CB 3.24Å; V44-Y48 PolarHBondContact O-N 3.02Å; F46-Y48 VanDerWaalsContact C-N 3.26Å; F46-Y48 PolarHBondContact O-N 3.49Å; Y48-C50 VanDerWaalsContact C-N 3.33Å; Y48-C50 PolarHBondContact O-N 2.88Å; Y48-Q51 PolarHBondContact O-N 3.49Å; Y48-K52 HydrophobicContact CD1-CG 4.39Å; Y48-K52 HydrophobicContact CE1-CG 4.09Å; Y48-K52 HydrophobicContact CE2-CG 4.35Å; Y48-K52 WeakPolarHBondContact O-CB 3.49Å; Y48-K52 WeakPolarHBondContact O-CG 3.21Å; Y48-K52 PolarHBondContact O-N 2.93Å; Y48-K52 WeakPolarHBondContact OH-CE 3.38Å |
| 49 | I | 96.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 84 Ų | 84 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 174.3 | -70.8 | 163.2 | 0 | 0 | 0 | 110.2 | I29 T32 L33 K45 F46 Q51 K52 Y53 | I29-I49 HydrophobicContact CG1-CG2 4.36Å; I29-I49 HydrophobicContact CG2-CD1 3.79Å; T32-I49 HydrophobicContact CG2-CG1 4.36Å; L33-I49 HydrophobicContact CD1-CD1 4.21Å; L33-I49 HydrophobicContact CD2-CD1 3.69Å; L33-I49 HydrophobicContact CD2-CG1 4.14Å; L33-I49 HydrophobicContact CG-CD1 3.93Å; L33-I49 HydrophobicContact CG-CG1 4.41Å; K45-I49 WeakPolarHBondContact O-CD1 3.49Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.46Å; K45-I49 PolarHBondContact O-N 3.03Å; F46-I49 PolarHBondContact O-N 3.41Å; I49-Q51 PolarHBondContact O-N 2.98Å; I49-K52 PolarHBondContact O-N 3.08Å; I49-Y53 HydrophobicContact CG2-CD2 3.67Å; I49-Y53 HydrophobicContact CG2-CE2 3.93Å; I49-Y53 WeakPolarHBondContact O-CB 3.48Å; I49-Y53 WeakPolarHBondContact O-CD2 3.48Å; I49-Y53 PolarHBondContact O-N 2.88Å |
| 50 | C | 96 | Very high | 95.6 | Very high | 58 Ų | 58 | 85 Ų | 85 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.7 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | F46 E47 Y48 Y53 Y54 | F46-C50 VanDerWaalsContact CZ-SG 3.58Å; F46-C50 PolarHBondContact O-N 3.18Å; F46-C50 PolarHBondContact O-SG 3.4Å; E47-C50 WeakPolarHBondContact O-CB 3.48Å; E47-C50 PolarHBondContact O-N 3.37Å; Y48-C50 VanDerWaalsContact C-N 3.33Å; Y48-C50 PolarHBondContact O-N 2.88Å; C50-Y53 PolarHBondContact O-N 3.48Å; C50-Y54 PolarHBondContact O-N 2.84Å |
| 51 | Q | 97.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 90.3 Ų | 90.3 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 175.7 | -177 | -175.2 | -28.1 | 0 | 0 | 111.1 | E47 Y48 I49 Y53 Y54 E55 | E47-Q51 WeakPolarHBondContact O-CB 3.47Å; E47-Q51 PolarHBondContact O-N 3.31Å; Y48-Q51 PolarHBondContact O-N 3.49Å; I49-Q51 PolarHBondContact O-N 2.98Å; Q51-Y53 VanDerWaalsContact C-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.29Å; Q51-Y54 WeakPolarHBondContact O-CB 3.5Å; Q51-Y54 PolarHBondContact O-N 3.02Å; Q51-Y54 VanDerWaalsContact O-N 3.08Å; Q51-E55 PolarHBondContact NE2-OE1 3.02Å; Q51-E55 PolarHBondContact O-N 3.3Å |
| 52 | K | 96.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 92.1 Ų | 92.1 | 22% | 0.222 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.1 | -35 | -179.4 | -70.9 | -67.2 | 178.2 | -163.9 | 0 | 113.1 | F28 T32 Y48 I49 Y54 E55 L56 | F28-K52 HydrophobicContact CE1-CB 4.49Å; F28-K52 HydrophobicContact CZ-CB 3.84Å; T32-K52 HydrophobicContact CG2-CB 4.07Å; T32-K52 HydrophobicContact CG2-CG 3.8Å; Y48-K52 HydrophobicContact CD1-CG 4.39Å; Y48-K52 HydrophobicContact CE1-CG 4.09Å; Y48-K52 HydrophobicContact CE2-CG 4.35Å; Y48-K52 WeakPolarHBondContact O-CB 3.49Å; Y48-K52 WeakPolarHBondContact O-CG 3.21Å; Y48-K52 PolarHBondContact O-N 2.93Å; Y48-K52 WeakPolarHBondContact OH-CE 3.38Å; I49-K52 PolarHBondContact O-N 3.08Å; K52-Y54 VanDerWaalsContact C-N 3.34Å; K52-E55 WeakPolarHBondContact CD-OE2 3.4Å; K52-E55 IonicContact NZ-OE1 3.96Å; K52-E55 IonicContact NZ-OE2 2.84Å; K52-E55 PolarHBondContact NZ-OE2 3.34Å; K52-L56 PolarHBondContact O-N 3.49Å; K52-L56 VanDerWaalsContact O-N 3.12Å |
| 53 | Y | 94.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 92 Ų | 92 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 171.1 | -100.3 | -72.2 | 0 | 0 | 0 | 112.4 | F28 I29 I49 C50 Q51 L56 Y57 | F28-Y53 HydrophobicContact CD1-CD2 4.15Å; F28-Y53 HydrophobicContact CD1-CE1 4.31Å; F28-Y53 AromaticContact CD1-CE2 3.56Å; F28-Y53 HydrophobicContact CD1-CE2 3.56Å; F28-Y53 AromaticContact CD1-CZ 3.65Å; F28-Y53 HydrophobicContact CE1-CD1 4.42Å; F28-Y53 AromaticContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CE1 4.34Å; F28-Y53 AromaticContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CG 4.07Å; F28-Y53 AromaticContact CE1-CZ 3.92Å; I29-Y53 HydrophobicContact CG1-CE2 4.13Å; I49-Y53 HydrophobicContact CG2-CD2 3.67Å; I49-Y53 HydrophobicContact CG2-CE2 3.93Å; I49-Y53 WeakPolarHBondContact O-CB 3.48Å; I49-Y53 WeakPolarHBondContact O-CD2 3.48Å; I49-Y53 PolarHBondContact O-N 2.88Å; C50-Y53 PolarHBondContact O-N 3.48Å; Q51-Y53 VanDerWaalsContact C-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.29Å; Y53-L56 PolarHBondContact O-N 3.26Å; Y53-Y57 WeakPolarHBondContact O-CB 3.45Å; Y53-Y57 PolarHBondContact O-N 2.95Å |
| 54 | Y | 95.6 | Very high | 95.2 | Very high | 146 Ų | 146 | 89.3 Ų | 89.3 | 57% | 0.573 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | 177.8 | -176.4 | -102.5 | 0 | 0 | 0 | 112.1 | C50 Q51 K52 L56 Y57 Q58 | C50-Y54 PolarHBondContact O-N 2.84Å; Q51-Y54 WeakPolarHBondContact O-CB 3.5Å; Q51-Y54 PolarHBondContact O-N 3.02Å; Q51-Y54 VanDerWaalsContact O-N 3.08Å; K52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-L56 PolarHBondContact O-N 3.12Å; Y54-Y57 PolarHBondContact O-N 2.93Å; Y54-Q58 HydrophobicContact CD1-CG 4.36Å; Y54-Q58 HydrophobicContact CE1-CG 3.97Å; Y54-Q58 HydrophobicContact CE2-CG 4.5Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.27Å; Y54-Q58 WeakPolarHBondContact O-CG 3.42Å; Y54-Q58 PolarHBondContact O-N 3.02Å; Y54-Q58 PolarHBondContact OH-NE2 2.94Å |
| 55 | E | 95.7 | Very high | 95 | Very high | 69 Ų | 69 | 89.1 Ų | 89.1 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.6 | -51.3 | 173 | -73 | 171.3 | -163.3 | 0 | 0 | 110.8 | Q51 K52 Y57 Q58 D59 | Q51-E55 PolarHBondContact NE2-OE1 3.02Å; Q51-E55 PolarHBondContact O-N 3.3Å; K52-E55 WeakPolarHBondContact CD-OE2 3.4Å; K52-E55 IonicContact NZ-OE1 3.96Å; K52-E55 IonicContact NZ-OE2 2.84Å; K52-E55 PolarHBondContact NZ-OE2 3.34Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 3.06Å; E55-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 VanDerWaalsContact O-N 3.14Å; E55-D59 PolarHBondContact O-N 3.39Å |
| 56 | L | 92.6 | Very high | 95 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 177.6 | -106.3 | 158 | 0 | 0 | 0 | 113.7 | F28 K52 Y53 Y54 Q60 | F28-L56 HydrophobicContact CD2-CD1 3.81Å; F28-L56 HydrophobicContact CE1-CD1 4.18Å; F28-L56 HydrophobicContact CE2-CD1 3.14Å; F28-L56 HydrophobicContact CZ-CD1 3.34Å; K52-L56 PolarHBondContact O-N 3.49Å; K52-L56 VanDerWaalsContact O-N 3.12Å; Y53-L56 PolarHBondContact O-N 3.26Å; Y54-L56 PolarHBondContact O-N 3.12Å; L56-Q60 WeakPolarHBondContact O-CB 3.46Å; L56-Q60 PolarHBondContact O-N 3.47Å |
| 57 | Y | 92.2 | Very high | 94.9 | Very high | 133 Ų | 133 | 89.8 Ų | 89.8 | 52% | 0.522 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.9 | 175.6 | -104.5 | 0 | 0 | 0 | 111.8 | Y53 Y54 E55 Q60 K61 | Y53-Y57 WeakPolarHBondContact O-CB 3.45Å; Y53-Y57 PolarHBondContact O-N 2.95Å; Y54-Y57 PolarHBondContact O-N 2.93Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 3.06Å; Y57-Q60 PolarHBondContact O-N 3.12Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 PolarHBondContact O-N 2.91Å |
| 58 | Q | 95.1 | Very high | 94.8 | Very high | 63 Ų | 63 | 89.6 Ų | 89.6 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176 | -66.9 | -61.2 | -22.9 | 0 | 0 | 111.5 | Y54 E55 Q60 K61 E62 | Y54-Q58 HydrophobicContact CD1-CG 4.36Å; Y54-Q58 HydrophobicContact CE1-CG 3.97Å; Y54-Q58 HydrophobicContact CE2-CG 4.5Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.27Å; Y54-Q58 WeakPolarHBondContact O-CG 3.42Å; Y54-Q58 PolarHBondContact O-N 3.02Å; Y54-Q58 PolarHBondContact OH-NE2 2.94Å; E55-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 VanDerWaalsContact O-N 3.14Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 3Å; Q58-K61 WeakPolarHBondContact O-CB 3.32Å; Q58-K61 PolarHBondContact O-N 3.4Å; Q58-K61 VanDerWaalsContact O-N 3.12Å; Q58-E62 PolarHBondContact O-N 2.98Å |
| 59 | D | 94.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 92.4 Ų | 92.4 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.2 | -73.9 | -8.4 | 0 | 0 | 0 | 111.7 | E55 K61 E62 N63 | E55-D59 PolarHBondContact O-N 3.39Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-N63 WeakPolarHBondContact O-CB 3.39Å; D59-N63 PolarHBondContact O-N 3.48Å |
| 60 | Q | 92.6 | Very high | 94.8 | Very high | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 176.3 | -172.7 | -178.1 | 38.7 | 0 | 0 | 111.6 | L56 Y57 Q58 S64 | L56-Q60 WeakPolarHBondContact O-CB 3.46Å; L56-Q60 PolarHBondContact O-N 3.47Å; Y57-Q60 PolarHBondContact O-N 3.12Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 3Å; Q60-S64 VanDerWaalsContact O-CB 3.32Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.86Å |
| 61 | K | 93 | Very high | 94.9 | Very high | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 177.8 | -175.6 | -174.4 | 174.2 | -169.9 | 0 | 111.2 | Y57 Q58 D59 S64 S65 | Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 PolarHBondContact O-N 2.91Å; Q58-K61 WeakPolarHBondContact O-CB 3.32Å; Q58-K61 PolarHBondContact O-N 3.4Å; Q58-K61 VanDerWaalsContact O-N 3.12Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å; K61-S64 PolarHBondContact O-N 3.22Å; K61-S65 PolarHBondContact O-N 3.42Å; K61-S65 VanDerWaalsContact O-N 3.07Å |
| 62 | E | 94.8 | Very high | 94.8 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 177.1 | -173.3 | -177.7 | 138.4 | 0 | 0 | 111.3 | Q58 D59 S64 S65 K66 | Q58-E62 PolarHBondContact O-N 2.98Å; D59-E62 PolarHBondContact O-N 3.45Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.45Å; E62-S65 WeakPolarHBondContact O-CB 3.42Å; E62-S65 PolarHBondContact O-N 2.89Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 PolarHBondContact O-N 3.37Å; E62-K66 WeakPolarHBondContact OE1-CE 3.43Å; E62-K66 IonicContact OE1-NZ 2.59Å; E62-K66 PolarHBondContact OE1-NZ 3.14Å |
| 63 | N | 94.3 | Very high | 94.9 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 178.5 | -78.9 | -13 | 0 | 0 | 0 | 112.4 | D59 S65 K66 N67 | D59-N63 WeakPolarHBondContact O-CB 3.39Å; D59-N63 PolarHBondContact O-N 3.48Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 2.86Å; N63-K66 PolarHBondContact O-N 3.07Å; N63-N67 WeakPolarHBondContact O-CB 3.17Å; N63-N67 PolarHBondContact O-N 3.04Å |
| 64 | S | 94.5 | Very high | 95 | Very high | 64 Ų | 64 | 101.9 Ų | 101.9 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | Q60 K61 E62 K68 | Q60-S64 VanDerWaalsContact O-CB 3.32Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.86Å; K61-S64 PolarHBondContact O-N 3.22Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.45Å; S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.1Å; S64-K68 VanDerWaalsContact O-N 3.11Å |
| 65 | S | 93.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 101 Ų | 101 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | K61 E62 N63 N67 K68 Q69 | K61-S65 PolarHBondContact O-N 3.42Å; K61-S65 VanDerWaalsContact O-N 3.07Å; E62-S65 WeakPolarHBondContact O-CB 3.42Å; E62-S65 PolarHBondContact O-N 2.89Å; E62-S65 VanDerWaalsContact O-N 3.1Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 2.86Å; S65-N67 PolarHBondContact O-N 3.28Å; S65-K68 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact O-N 3.47Å |
| 66 | K | 95.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 177.1 | -74.9 | 176.7 | 172.5 | 170 | 0 | 112 | E62 N63 K68 Q69 F70 | E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 PolarHBondContact O-N 3.37Å; E62-K66 WeakPolarHBondContact OE1-CE 3.43Å; E62-K66 IonicContact OE1-NZ 2.59Å; E62-K66 PolarHBondContact OE1-NZ 3.14Å; N63-K66 PolarHBondContact O-N 3.07Å; K66-K68 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 2.59Å; K66-F70 WeakPolarHBondContact O-CB 3.37Å; K66-F70 PolarHBondContact O-N 3.35Å |
| 67 | N | 94.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.9 | -80.9 | 7.1 | 0 | 0 | 0 | 111.9 | N63 S65 Q69 F70 E71 | N63-N67 WeakPolarHBondContact O-CB 3.17Å; N63-N67 PolarHBondContact O-N 3.04Å; S65-N67 PolarHBondContact O-N 3.28Å; N67-Q69 VanDerWaalsContact C-N 3.34Å; N67-Q69 PolarHBondContact O-N 3.11Å; N67-F70 PolarHBondContact O-N 2.9Å; N67-E71 WeakPolarHBondContact O-CG 3.48Å; N67-E71 PolarHBondContact O-N 3.05Å |
| 68 | K | 95.7 | Very high | 95.4 | Very high | 131 Ų | 131 | 100.2 Ų | 100.2 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 174.9 | -74.7 | -178.6 | -179.3 | -174.7 | 0 | 112.3 | S64 S65 K66 F70 E71 Q72 | S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.1Å; S64-K68 VanDerWaalsContact O-N 3.11Å; S65-K68 PolarHBondContact O-N 3Å; K66-K68 PolarHBondContact O-N 3.47Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-E71 PolarHBondContact O-N 3.44Å; K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.47Å |
| 69 | Q | 96.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.6 | -72 | 176.5 | 48.8 | 0 | 0 | 111.2 | S65 K66 N67 Q72 S73 | S65-Q69 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 2.59Å; N67-Q69 VanDerWaalsContact C-N 3.34Å; N67-Q69 PolarHBondContact O-N 3.11Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.26Å; Q69-S73 PolarHBondContact O-N 2.98Å; Q69-S73 PolarHBondContact O-OG 3.28Å |
| 70 | F | 96.9 | Very high | 95.4 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 178.1 | -175.6 | -107.7 | 0 | 0 | 0 | 112.4 | K66 N67 K68 Q72 S73 I74 | K66-F70 WeakPolarHBondContact O-CB 3.37Å; K66-F70 PolarHBondContact O-N 3.35Å; N67-F70 PolarHBondContact O-N 2.9Å; K68-F70 VanDerWaalsContact C-N 3.33Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.45Å; F70-S73 PolarHBondContact O-N 2.91Å; F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CD1-CG1 4.48Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.16Å; F70-I74 HydrophobicContact CE2-CD1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.65Å; F70-I74 HydrophobicContact CZ-CG1 4.21Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 3.2Å |
| 71 | E | 96.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 173.9 | -75.3 | 173 | -174.6 | 0 | 0 | 111.7 | N67 K68 I74 Q75 | N67-E71 WeakPolarHBondContact O-CG 3.48Å; N67-E71 PolarHBondContact O-N 3.05Å; K68-E71 PolarHBondContact O-N 3.44Å; E71-I74 PolarHBondContact O-N 2.89Å; E71-Q75 WeakPolarHBondContact O-CG 3.36Å; E71-Q75 PolarHBondContact O-N 3.17Å |
| 72 | Q | 96.5 | Very high | 95.4 | Very high | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.8 | -73 | 175.9 | -17.2 | 0 | 0 | 112 | K68 Q69 F70 Q75 Q76 | K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.47Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.26Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.45Å; Q72-Q75 PolarHBondContact O-N 2.97Å; Q72-Q76 WeakPolarHBondContact O-CG 3.41Å; Q72-Q76 PolarHBondContact O-N 3.48Å |
| 73 | S | 97.1 | Very high | 95.3 | Very high | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | Q69 F70 Q75 Q76 V77 | Q69-S73 PolarHBondContact O-N 2.98Å; Q69-S73 PolarHBondContact O-OG 3.28Å; F70-S73 PolarHBondContact O-N 2.91Å; S73-Q75 VanDerWaalsContact C-N 3.34Å; S73-Q75 PolarHBondContact O-N 3.47Å; S73-Q76 PolarHBondContact O-N 2.9Å; S73-V77 WeakPolarHBondContact O-CG2 3.48Å; S73-V77 PolarHBondContact O-N 3.28Å |
| 74 | I | 97.5 | Very high | 95.2 | Very high | 95 Ų | 95 | 98.2 Ų | 98.2 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 175.1 | -72.5 | 175.3 | 0 | 0 | 0 | 110.7 | F70 E71 Q76 V77 G78 | F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CD1-CG1 4.48Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.16Å; F70-I74 HydrophobicContact CE2-CD1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.65Å; F70-I74 HydrophobicContact CZ-CG1 4.21Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 3.2Å; E71-I74 PolarHBondContact O-N 2.89Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.27Å; I74-V77 PolarHBondContact O-N 3.32Å; I74-G78 PolarHBondContact O-N 3.31Å |
| 75 | Q | 96.6 | Very high | 94.8 | Very high | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 178.4 | -73.2 | 174.4 | 2.6 | 0 | 0 | 111.8 | E71 Q72 S73 G78 L79 | E71-Q75 WeakPolarHBondContact O-CG 3.36Å; E71-Q75 PolarHBondContact O-N 3.17Å; Q72-Q75 PolarHBondContact O-N 2.97Å; S73-Q75 VanDerWaalsContact C-N 3.34Å; S73-Q75 PolarHBondContact O-N 3.47Å; Q75-G78 PolarHBondContact O-N 3.36Å; Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 2.98Å |
| 76 | Q | 96.1 | Very high | 94.6 | Very high | 134 Ų | 134 | 102.9 Ų | 102.9 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 176.7 | -73 | 177.5 | 6.2 | 0 | 0 | 112.2 | Q72 S73 I74 G78 L79 A80 | Q72-Q76 WeakPolarHBondContact O-CG 3.41Å; Q72-Q76 PolarHBondContact O-N 3.48Å; S73-Q76 PolarHBondContact O-N 2.9Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.27Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; Q76-L79 PolarHBondContact O-N 3.2Å; Q76-A80 PolarHBondContact O-N 2.88Å |
| 77 | V | 96.4 | Very high | 94 | Very high | 93 Ų | 93 | 101.9 Ų | 101.9 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | S73 I74 L79 A80 V81 | S73-V77 WeakPolarHBondContact O-CG2 3.48Å; S73-V77 PolarHBondContact O-N 3.28Å; I74-V77 PolarHBondContact O-N 3.32Å; V77-L79 VanDerWaalsContact C-N 3.35Å; V77-L79 PolarHBondContact O-N 2.99Å; V77-A80 PolarHBondContact O-N 3.46Å; V77-V81 HydrophobicContact CG1-CG2 4.32Å; V77-V81 WeakPolarHBondContact O-CG2 3.49Å; V77-V81 PolarHBondContact O-N 2.99Å |
| 78 | G | 95.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 104.9 Ų | 104.9 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.8 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I74 Q75 Q76 V81 H82 | I74-G78 PolarHBondContact O-N 3.31Å; Q75-G78 PolarHBondContact O-N 3.36Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; G78-V81 PolarHBondContact O-N 2.97Å; G78-H82 WeakPolarHBondContact O-CB 3.38Å; G78-H82 PolarHBondContact O-N 2.99Å |
| 79 | L | 94.7 | Very high | 92.1 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 174.8 | -69.6 | 172.7 | 0 | 0 | 0 | 111.9 | Q75 Q76 V77 V81 H82 M83 | Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 3.2Å; V77-L79 VanDerWaalsContact C-N 3.35Å; V77-L79 PolarHBondContact O-N 2.99Å; L79-V81 PolarHBondContact O-N 3.3Å; L79-H82 PolarHBondContact O-N 3.49Å; L79-M83 WeakPolarHBondContact O-CG 3.35Å; L79-M83 PolarHBondContact O-N 2.91Å |
| 80 | A | 93.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 103.2 Ų | 103.2 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.3 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q76 V77 M83 V84 | Q76-A80 PolarHBondContact O-N 2.88Å; V77-A80 PolarHBondContact O-N 3.46Å; A80-M83 PolarHBondContact O-N 3.41Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.17Å; A80-V84 VanDerWaalsContact O-N 3.1Å |
| 81 | V | 94.9 | Very high | 91.6 | Very high | 73 Ų | 73 | 101.6 Ų | 101.6 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -44.8 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | V77 G78 L79 M83 V84 Q85 | V77-V81 HydrophobicContact CG1-CG2 4.32Å; V77-V81 WeakPolarHBondContact O-CG2 3.49Å; V77-V81 PolarHBondContact O-N 2.99Å; G78-V81 PolarHBondContact O-N 2.97Å; L79-V81 PolarHBondContact O-N 3.3Å; V81-M83 PolarHBondContact O-N 3.47Å; V81-V84 PolarHBondContact O-N 3.29Å; V81-Q85 HydrophobicContact CG1-CG 4.49Å; V81-Q85 WeakPolarHBondContact O-CG 3.4Å; V81-Q85 PolarHBondContact O-N 2.91Å |
| 82 | H | 92 | Very high | 91.3 | Very high | 110 Ų | 110 | 100.7 Ų | 100.7 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -44.7 | 178.1 | -174.4 | 57 | 0 | 0 | 0 | 111.9 | G78 L79 V84 Q85 T86 | G78-H82 WeakPolarHBondContact O-CB 3.38Å; G78-H82 PolarHBondContact O-N 2.99Å; L79-H82 PolarHBondContact O-N 3.49Å; H82-V84 VanDerWaalsContact C-N 3.34Å; H82-V84 PolarHBondContact O-N 3.1Å; H82-Q85 PolarHBondContact O-N 3.38Å; H82-T86 WeakPolarHBondContact O-CG2 3.48Å; H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.43Å |
| 83 | M | 92.2 | Very high | 91 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -43.7 | 177.1 | -72.9 | -169.3 | -60.8 | 0 | 0 | 112.3 | L79 A80 V81 T86 A87 | L79-M83 WeakPolarHBondContact O-CG 3.35Å; L79-M83 PolarHBondContact O-N 2.91Å; A80-M83 PolarHBondContact O-N 3.41Å; V81-M83 PolarHBondContact O-N 3.47Å; M83-T86 WeakPolarHBondContact CA-OG1 3.37Å; M83-T86 PolarHBondContact O-N 3.45Å; M83-T86 PolarHBondContact O-OG1 3.24Å; M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.2Å |
| 84 | V | 91.2 | Very high | 90.6 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.5 | -42.3 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | A80 V81 H82 T86 A87 | A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.17Å; A80-V84 VanDerWaalsContact O-N 3.1Å; V81-V84 PolarHBondContact O-N 3.29Å; H82-V84 VanDerWaalsContact C-N 3.34Å; H82-V84 PolarHBondContact O-N 3.1Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.37Å; V84-A87 PolarHBondContact O-N 2.94Å |
| 85 | Q | 86.6 | Confident | 90.1 | Very high | 129 Ų | 129 | 102.9 Ų | 102.9 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -37.7 | 177.8 | -74.9 | 177.2 | -29.5 | 0 | 0 | 112.9 | V81 H82 A87 | V81-Q85 HydrophobicContact CG1-CG 4.49Å; V81-Q85 WeakPolarHBondContact O-CG 3.4Å; V81-Q85 PolarHBondContact O-N 2.91Å; H82-Q85 PolarHBondContact O-N 3.38Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.47Å |
| 86 | T | 89.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 58% | 0.577 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.5 | -13.6 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 114 | H82 M83 V84 | H82-T86 WeakPolarHBondContact O-CG2 3.48Å; H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.43Å; M83-T86 WeakPolarHBondContact CA-OG1 3.37Å; M83-T86 PolarHBondContact O-N 3.45Å; M83-T86 PolarHBondContact O-OG1 3.24Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.37Å |
| 87 | A | 82.6 | Confident | 89.1 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -4.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M83 V84 Q85 | M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.2Å; V84-A87 PolarHBondContact O-N 2.94Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.47Å |
| 88 | C | 59.4 | Low | 88.4 | Confident | 164 Ų | 164 | 98.5 Ų | 98.5 | 100% | 1.108 | 60% | 0.599 | S | S | * | * | trans | -106.8 | 0 | 175.3 | -65.3 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 88 of 88 residues in 93.6 ms
(Link to these results)