| 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 | 40.1 | Very low | 39.9 | Very low | 241 Ų | 241 | 131 Ų | 131 | 100% | 1.187 | 81% | 0.808 | S | S | * | * | 0 | 100.9 | 0 | -75.5 | 170.8 | 159.8 | 0 | 0 | 107.2 | |||||
| 2 | A | 39.3 | Very low | 39.9 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 71.8 | 100.8 | 116.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | A | 43.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | 87 | 141.4 | 72.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 4 | N | 39.6 | Very low | 39.6 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 104.4 | 101.2 | 160.8 | -136.6 | 45.9 | 0 | 0 | 0 | 115.5 | ||||
| 5 | S | 43.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | 77.4 | 131.9 | 63.6 | -54 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 6 | S | 37.2 | Very low | 40.1 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 118.7 | 149.6 | -69.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 7 | S | 36.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 68.2 | 126.3 | 130.8 | 71.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 8 | T | 36.9 | Very low | 40.1 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | cis | -163.8 | 126.7 | 39.9 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | V | 41 | Very low | 40.3 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -91.7 | 106.8 | 160.9 | 161.5 | 0 | 0 | 0 | 0 | 107.6 | K11 | V9-K11 HydrophobicContact CG1-CG 4.28Å; V9-K11 PolarHBondContact O-N 3.34Å | ||
| 10 | S | 39.8 | Very low | 40.9 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 94.3 | 172.6 | -50.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | K | 41.8 | Very low | 41.8 | Very low | 178 Ų | 178 | 130 Ų | 130 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 130.1 | 163.8 | -85.5 | 178.3 | 175.2 | 175.6 | 0 | 108.9 | V9 S13 | V9-K11 HydrophobicContact CG1-CG 4.28Å; V9-K11 PolarHBondContact O-N 3.34Å; K11-S13 PolarHBondContact O-N 3.13Å | ||
| 12 | P | 40.4 | Very low | 43.4 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -73.6 | 116.3 | 163.4 | 29.3 | -28.1 | 0 | 0 | 0 | 108.2 | N14 | P12-N14 PolarHBondContact O-N 3.25Š| ||
| 13 | S | 37.4 | Very low | 45.4 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -64.3 | 96.5 | 168.7 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | K11 I15 | K11-S13 PolarHBondContact O-N 3.13Å; S13-I15 PolarHBondContact O-N 2.82Å | ||
| 14 | N | 38.4 | Very low | 47.6 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | -80.3 | 103.5 | 164.8 | -162.8 | 0.6 | 0 | 0 | 0 | 108.2 | P12 I16 | P12-N14 PolarHBondContact O-N 3.25Å; N14-I16 PolarHBondContact O-N 2.85Å; N14-I16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | I | 46.1 | Very low | 49.9 | Very low | 145 Ų | 145 | 113.7 Ų | 113.7 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 103.3 | 170.7 | -64.9 | -169.3 | 0 | 0 | 0 | 107.6 | S13 | S13-I15 PolarHBondContact O-N 2.82Š| ||
| 16 | I | 40 | Very low | 52 | Low | 146 Ų | 146 | 116.9 Ų | 116.9 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | -101.1 | 78.8 | 159.7 | -56.7 | 176.5 | 0 | 0 | 0 | 106.4 | N14 G18 | N14-I16 PolarHBondContact O-N 2.85Å; N14-I16 VanDerWaalsContact O-N 3.11Å; I16-G18 PolarHBondContact O-N 3.12Å | ||
| 17 | G | 37.7 | Very low | 54.6 | Low | 58 Ų | 58 | 117.4 Ų | 117.4 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | trans | -64.7 | 107.8 | 159 | 0 | 0 | 0 | 0 | 0 | 107.6 | K19 | G17-K19 PolarHBondContact O-N 3.36Š| ||
| 18 | G | 43.4 | Very low | 57.3 | Low | 75 Ų | 75 | 112.7 Ų | 112.7 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -63.6 | 84.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I16 Q20 | I16-G18 PolarHBondContact O-N 3.12Å; G18-Q20 PolarHBondContact O-N 2.69Å | ||
| 19 | K | 43.9 | Very low | 59.9 | Low | 188 Ų | 188 | 110 Ų | 110 | 82% | 0.817 | 66% | 0.655 | S | S | * | * | trans | -79.1 | 109.2 | 163.7 | -162.5 | 168.5 | -175.4 | -178.2 | 0 | 105.5 | G17 S21 | G17-K19 PolarHBondContact O-N 3.36Å; K19-S21 PolarHBondContact O-N 3.27Å | ||
| 20 | Q | 52.6 | Low | 62.4 | Low | 196 Ų | 196 | 106.3 Ų | 106.3 | 92% | 0.916 | 64% | 0.639 | S | S | * | * | trans | -58.1 | 91.7 | 165 | -69.4 | -178.2 | -32.4 | 0 | 0 | 107.4 | G18 G22 | G18-Q20 PolarHBondContact O-N 2.69Å; Q20-G22 PolarHBondContact O-N 3.5Å | ||
| 21 | S | 59.9 | Low | 64.9 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | trans | -79.8 | 104.8 | 176 | 52.2 | 0 | 0 | 0 | 0 | 107.1 | K19 | K19-S21 PolarHBondContact O-N 3.27Š| ||
| 22 | G | 72.8 | Confident | 67.4 | Low | 56 Ų | 56 | 95 Ų | 95 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 164.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q20 | Q20-G22 PolarHBondContact O-N 3.5Š|
| 23 | P | 80.4 | Confident | 70 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 38% | 0.383 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 144.2 | -179.9 | 24.2 | -33.6 | 0 | 0 | 0 | 111 | Q27 V28 Y124 | P23-Q27 HydrophobicContact CB-CB 4.16Å; P23-V28 HydrophobicContact CB-CG2 4.01Å; P23-V28 HydrophobicContact CG-CG2 3.77Å; P23-Y124 HydrophobicContact CG-CE1 4.12Å |
| 24 | S | 90.4 | Very high | 72.8 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 157.4 | 176.4 | 75.6 | 0 | 0 | 0 | 0 | 110.7 | E26 Q27 V28 | S24-E26 PolarHBondContact O-N 3.05Å; S24-Q27 WeakPolarHBondContact O-CB 3.39Å; S24-Q27 PolarHBondContact O-N 3.01Å; S24-Q27 VanDerWaalsContact OG-CG 3.26Å; S24-Q27 WeakPolarHBondContact OG-CG 3.05Å; S24-Q27 PolarHBondContact OG-N 2.99Å; S24-V28 WeakPolarHBondContact O-CG2 3.44Å; S24-V28 PolarHBondContact O-N 2.95Å |
| 25 | A | 87.1 | Confident | 75.5 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V28 V29 | A25-V28 PolarHBondContact O-N 3.49Å; A25-V29 WeakPolarHBondContact O-CG2 3.37Å; A25-V29 PolarHBondContact O-N 2.78Å |
| 26 | E | 89.1 | Confident | 77.8 | Confident | 164 Ų | 164 | 90.4 Ų | 90.4 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175 | -66 | 175.6 | 175 | 0 | 0 | 112 | S24 V28 V29 A30 | S24-E26 PolarHBondContact O-N 3.05Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.24Å; E26-V29 PolarHBondContact O-N 3.42Å; E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.42Å; E26-A30 PolarHBondContact O-N 3.05Å |
| 27 | Q | 91.6 | Very high | 80.5 | Confident | 118 Ų | 118 | 87 Ų | 87 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 177 | -73.8 | 170.5 | -13 | 0 | 0 | 112 | P23 S24 A31 | P23-Q27 HydrophobicContact CB-CB 4.16Å; S24-Q27 WeakPolarHBondContact O-CB 3.39Å; S24-Q27 PolarHBondContact O-N 3.01Å; S24-Q27 VanDerWaalsContact OG-CG 3.26Å; S24-Q27 WeakPolarHBondContact OG-CG 3.05Å; S24-Q27 PolarHBondContact OG-N 2.99Å; Q27-A31 VanDerWaalsContact O-CB 3.29Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 2.96Å |
| 28 | V | 92.2 | Very high | 83.3 | Confident | 9 Ų | 9 | 87 Ų | 87 | 6% | 0.055 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | P23 S24 A25 E26 A31 F32 Y120 Y124 I126 | P23-V28 HydrophobicContact CB-CG2 4.01Å; P23-V28 HydrophobicContact CG-CG2 3.77Å; S24-V28 WeakPolarHBondContact O-CG2 3.44Å; S24-V28 PolarHBondContact O-N 2.95Å; A25-V28 PolarHBondContact O-N 3.49Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.24Å; V28-A31 PolarHBondContact O-N 3.2Å; V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3.12Å; V28-Y120 WeakPolarHBondContact CA-OH 3.17Å; V28-Y120 HydrophobicContact CG1-CE1 3.81Å; V28-Y120 WeakPolarHBondContact O-CE1 3.45Å; V28-Y124 HydrophobicContact CB-CG 4.49Å; V28-Y124 VanDerWaalsContact CG1-CB 3.48Å; V28-Y124 HydrophobicContact CG1-CD1 3.98Å; V28-Y124 HydrophobicContact CG1-CD2 3.86Å; V28-Y124 HydrophobicContact CG1-CG 3.51Å; V28-Y124 HydrophobicContact CG2-CD1 3.73Å; V28-Y124 HydrophobicContact CG2-CD2 4.5Å; V28-Y124 HydrophobicContact CG2-CE1 3.81Å; V28-Y124 HydrophobicContact CG2-CG 4.09Å; V28-I126 HydrophobicContact CG1-CD1 3.75Å; V28-I126 HydrophobicContact CG1-CG1 4.07Å |
| 29 | V | 90.9 | Very high | 85.7 | Confident | 62 Ų | 62 | 86 Ų | 86 | 38% | 0.376 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | A25 E26 A31 F32 Q33 | A25-V29 WeakPolarHBondContact O-CG2 3.37Å; A25-V29 PolarHBondContact O-N 2.78Å; E26-V29 PolarHBondContact O-N 3.42Å; V29-A31 PolarHBondContact O-N 3.39Å; V29-F32 PolarHBondContact O-N 2.99Å; V29-Q33 HydrophobicContact CG1-CG 4.48Å; V29-Q33 WeakPolarHBondContact O-CG 3.4Å; V29-Q33 PolarHBondContact O-N 3.18Å |
| 30 | A | 93.3 | Very high | 88.2 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E26 Q33 R34 | E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.42Å; E26-A30 PolarHBondContact O-N 3.05Å; A30-Q33 PolarHBondContact O-N 2.98Å; A30-R34 WeakPolarHBondContact O-CB 3.48Å; A30-R34 PolarHBondContact O-N 3.03Å |
| 31 | A | 93.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 78.1 Ų | 78.1 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q27 V28 V29 R34 M35 Y120 | Q27-A31 VanDerWaalsContact O-CB 3.29Å; Q27-A31 WeakPolarHBondContact O-CB 3.22Å; Q27-A31 PolarHBondContact O-N 2.96Å; V28-A31 PolarHBondContact O-N 3.2Å; V29-A31 PolarHBondContact O-N 3.39Å; A31-R34 WeakPolarHBondContact O-CB 3.43Å; A31-R34 PolarHBondContact O-N 3.42Å; A31-M35 WeakPolarHBondContact O-CG 3.19Å; A31-M35 PolarHBondContact O-N 3.36Å; A31-Y120 HydrophobicContact CB-CE1 4.48Å; A31-Y120 WeakPolarHBondContact CB-OH 3.42Å |
| 32 | F | 94.3 | Very high | 92 | Very high | 13 Ų | 13 | 74.2 Ų | 74.2 | 6% | 0.057 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.3 | -177.2 | -100.6 | 0 | 0 | 0 | 112.7 | V28 V29 R34 M35 R36 L117 Y120 R121 I126 L128 | V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3.12Å; V29-F32 PolarHBondContact O-N 2.99Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 2.8Å; F32-M35 HydrophobicContact CD2-CE 4.2Å; F32-M35 PolarHBondContact O-N 2.95Å; F32-R36 PolarHBondContact O-N 3.37Å; F32-L117 HydrophobicContact CD2-CD2 3.69Å; F32-L117 HydrophobicContact CE2-CD2 3.48Å; F32-L117 VanDerWaalsContact CE2-CD2 3.48Å; F32-L117 HydrophobicContact CG-CD2 4.46Å; F32-L117 HydrophobicContact CZ-CD2 4.1Å; F32-Y120 HydrophobicContact CB-CD1 4.08Å; F32-Y120 HydrophobicContact CB-CE1 4.05Å; F32-Y120 AromaticContact CD2-CD1 3.96Å; F32-Y120 HydrophobicContact CD2-CD1 3.96Å; F32-R121 HydrophobicContact CE2-CB 4Å; F32-R121 HydrophobicContact CZ-CB 4.49Å; F32-I126 HydrophobicContact CB-CD1 3.58Å; F32-I126 HydrophobicContact CD1-CD1 4.34Å; F32-I126 HydrophobicContact CD1-CG2 4.12Å; F32-I126 HydrophobicContact CD2-CD1 3.77Å; F32-I126 HydrophobicContact CE1-CG2 4.35Å; F32-I126 HydrophobicContact CG-CD1 3.64Å; F32-I126 HydrophobicContact CG-CG2 4.44Å; F32-L128 HydrophobicContact CE1-CD1 3.94Å; F32-L128 HydrophobicContact CE1-CD2 4.17Å; F32-L128 HydrophobicContact CE1-CG 4.04Å; F32-L128 HydrophobicContact CZ-CD1 4.1Å |
| 33 | Q | 94.2 | Very high | 93.1 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 175.5 | -71.5 | -179.4 | 22.3 | 0 | 0 | 112 | V29 A30 R36 S37 | V29-Q33 HydrophobicContact CG1-CG 4.48Å; V29-Q33 WeakPolarHBondContact O-CG 3.4Å; V29-Q33 PolarHBondContact O-N 3.18Å; A30-Q33 PolarHBondContact O-N 2.98Å; Q33-R36 PolarHBondContact O-N 3.45Å; Q33-S37 PolarHBondContact O-N 3.28Å |
| 34 | R | 95.7 | Very high | 93.9 | Very high | 168 Ų | 168 | 73.9 Ų | 73.9 | 63% | 0.634 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.3 | -50.9 | 174.8 | -179.1 | -174.5 | 163.6 | -145.7 | -8.9 | 111.3 | A30 A31 F32 R36 S37 E38 | A30-R34 WeakPolarHBondContact O-CB 3.48Å; A30-R34 PolarHBondContact O-N 3.03Å; A31-R34 WeakPolarHBondContact O-CB 3.43Å; A31-R34 PolarHBondContact O-N 3.42Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 2.8Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.02Å; R34-S37 WeakPolarHBondContact O-CB 3.5Å; R34-S37 PolarHBondContact O-N 2.96Å; R34-S37 VanDerWaalsContact O-N 3.09Å; R34-E38 IonicContact CZ-OE1 3.09Å; R34-E38 IonicContact NE-OE1 2.8Å; R34-E38 PolarHBondContact NE-OE1 2.72Å; R34-E38 IonicContact NH2-OE1 2.74Å; R34-E38 PolarHBondContact NH2-OE1 2.79Å; R34-E38 WeakPolarHBondContact O-CG 3.46Å; R34-E38 PolarHBondContact O-N 3.29Å |
| 35 | M | 95 | Very high | 94.3 | Very high | 26 Ų | 26 | 75.4 Ų | 75.4 | 13% | 0.128 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 178.7 | -69.3 | -170.7 | -55 | 0 | 0 | 112.2 | A31 F32 E38 Q39 L117 Y120 | A31-M35 WeakPolarHBondContact O-CG 3.19Å; A31-M35 PolarHBondContact O-N 3.36Å; F32-M35 HydrophobicContact CD2-CE 4.2Å; F32-M35 PolarHBondContact O-N 2.95Å; M35-E38 PolarHBondContact O-N 2.76Å; M35-Q39 PolarHBondContact O-N 3.4Å; M35-L117 HydrophobicContact CB-CD2 3.71Å; M35-L117 HydrophobicContact CB-CG 4.11Å; M35-L117 HydrophobicContact CE-CD2 3.98Å; M35-Y120 HydrophobicContact CE-CD1 3.67Å; M35-Y120 HydrophobicContact CE-CD2 3.89Å; M35-Y120 HydrophobicContact CE-CE1 4.26Å; M35-Y120 HydrophobicContact CE-CE2 4.45Å; M35-Y120 HydrophobicContact CE-CG 3.46Å; M35-Y120 VanDerWaalsContact CE-CG 3.46Å |
| 36 | R | 95.1 | Very high | 94.8 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.6 | -166.7 | -179.8 | -175.9 | -167 | 1.1 | 112 | F32 Q33 R34 Q39 R40 L117 | F32-R36 PolarHBondContact O-N 3.37Å; Q33-R36 PolarHBondContact O-N 3.45Å; R34-R36 VanDerWaalsContact C-N 3.27Å; R34-R36 PolarHBondContact O-N 3.02Å; R36-Q39 PolarHBondContact O-N 2.97Å; R36-R40 WeakPolarHBondContact O-CG 3.49Å; R36-R40 PolarHBondContact O-N 2.94Å; R36-R40 VanDerWaalsContact O-N 3.09Å; R36-L117 HydrophobicContact CB-CD2 4.36Å |
| 37 | S | 96.4 | Very high | 95.2 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 52% | 0.524 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.5 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | Q33 R34 R40 S41 | Q33-S37 PolarHBondContact O-N 3.28Å; R34-S37 WeakPolarHBondContact O-CB 3.5Å; R34-S37 PolarHBondContact O-N 2.96Å; R34-S37 VanDerWaalsContact O-N 3.09Å; S37-R40 PolarHBondContact O-N 2.98Å; S37-S41 WeakPolarHBondContact O-CB 3.4Å; S37-S41 PolarHBondContact O-N 2.85Å |
| 38 | E | 96 | Very high | 95.5 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.5 | -72 | 174.5 | -179.2 | 0 | 0 | 111.1 | R34 M35 R40 S41 M42 | R34-E38 IonicContact CZ-OE1 3.09Å; R34-E38 IonicContact NE-OE1 2.8Å; R34-E38 PolarHBondContact NE-OE1 2.72Å; R34-E38 IonicContact NH2-OE1 2.74Å; R34-E38 PolarHBondContact NH2-OE1 2.79Å; R34-E38 WeakPolarHBondContact O-CG 3.46Å; R34-E38 PolarHBondContact O-N 3.29Å; M35-E38 PolarHBondContact O-N 2.76Å; E38-R40 VanDerWaalsContact C-N 3.35Å; E38-R40 PolarHBondContact O-N 3.19Å; E38-S41 WeakPolarHBondContact O-CB 3.42Å; E38-S41 PolarHBondContact O-N 2.82Å; E38-M42 WeakPolarHBondContact O-CE 3.45Å; E38-M42 PolarHBondContact O-N 3.08Å |
| 39 | Q | 95.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.4 | -163.7 | -173.5 | 26.4 | 0 | 0 | 112.4 | M35 R36 M42 A43 M110 L117 | M35-Q39 PolarHBondContact O-N 3.4Å; R36-Q39 PolarHBondContact O-N 2.97Å; Q39-M42 PolarHBondContact O-N 3.13Å; Q39-A43 PolarHBondContact O-N 3.09Å; Q39-M110 HydrophobicContact CG-CG 3.85Å; Q39-M110 PolarHBondContact NE2-O 2.96Å; Q39-L117 HydrophobicContact CB-CD1 4.14Å; Q39-L117 HydrophobicContact CG-CD1 4.47Å |
| 40 | R | 95.9 | Very high | 96.1 | Very high | 141 Ų | 141 | 66.9 Ų | 66.9 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 176.9 | -71.1 | 176.2 | -175.8 | 172.9 | -2.9 | 112.8 | R36 S37 E38 A43 S44 | R36-R40 WeakPolarHBondContact O-CG 3.49Å; R36-R40 PolarHBondContact O-N 2.94Å; R36-R40 VanDerWaalsContact O-N 3.09Å; S37-R40 PolarHBondContact O-N 2.98Å; E38-R40 VanDerWaalsContact C-N 3.35Å; E38-R40 PolarHBondContact O-N 3.19Å; R40-A43 PolarHBondContact O-N 3.2Å; R40-S44 PolarHBondContact O-N 3.43Å; R40-S44 PolarHBondContact O-OG 2.93Å |
| 41 | S | 96.7 | Very high | 96.3 | Very high | 78 Ų | 78 | 69.9 Ų | 69.9 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.2 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | S37 E38 A43 S44 K45 | S37-S41 WeakPolarHBondContact O-CB 3.4Å; S37-S41 PolarHBondContact O-N 2.85Å; E38-S41 WeakPolarHBondContact O-CB 3.42Å; E38-S41 PolarHBondContact O-N 2.82Å; S41-A43 PolarHBondContact O-N 2.95Å; S41-S44 PolarHBondContact O-N 3.38Å; S41-K45 PolarHBondContact O-N 3.11Å |
| 42 | M | 96.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 174.2 | -73.9 | -177.6 | -79.6 | 0 | 0 | 112.2 | E38 Q39 S44 K45 A46 L106 Q109 K113 | E38-M42 WeakPolarHBondContact O-CE 3.45Å; E38-M42 PolarHBondContact O-N 3.08Å; Q39-M42 PolarHBondContact O-N 3.13Å; M42-S44 VanDerWaalsContact C-N 3.35Å; M42-S44 PolarHBondContact O-N 3.42Å; M42-K45 PolarHBondContact O-N 3.43Å; M42-A46 WeakPolarHBondContact O-CB 3.4Å; M42-A46 PolarHBondContact O-N 3.03Å; M42-L106 HydrophobicContact CG-CD2 4.26Å; M42-Q109 HydrophobicContact SD-CB 3.83Å; M42-K113 HydrophobicContact CE-CB 4.01Å; M42-K113 HydrophobicContact CE-CD 4.48Å; M42-K113 HydrophobicContact CE-CG 3.65Å |
| 43 | A | 95.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 72.1 Ų | 72.1 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q39 R40 S41 A46 A47 M110 | Q39-A43 PolarHBondContact O-N 3.09Å; R40-A43 PolarHBondContact O-N 3.2Å; S41-A43 PolarHBondContact O-N 2.95Å; A43-A46 PolarHBondContact O-N 3.14Å; A43-A47 PolarHBondContact O-N 3.39Å; A43-M110 HydrophobicContact CB-SD 3.71Å |
| 44 | S | 97.7 | Very high | 96.7 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 178.1 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | R40 S41 M42 A46 A47 E48 | R40-S44 PolarHBondContact O-N 3.43Å; R40-S44 PolarHBondContact O-OG 2.93Å; S41-S44 PolarHBondContact O-N 3.38Å; M42-S44 VanDerWaalsContact C-N 3.35Å; M42-S44 PolarHBondContact O-N 3.42Å; S44-A46 PolarHBondContact O-N 2.99Å; S44-A47 PolarHBondContact O-N 3.28Å; S44-E48 WeakPolarHBondContact O-CG 3.5Å; S44-E48 PolarHBondContact O-N 2.92Å; S44-E48 VanDerWaalsContact O-N 3.08Å |
| 45 | K | 97.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 69 Ų | 69 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 177.8 | -169.2 | 68.9 | -144.6 | 158.1 | 0 | 112.7 | S41 M42 E48 L49 L106 | S41-K45 PolarHBondContact O-N 3.11Å; M42-K45 PolarHBondContact O-N 3.43Å; K45-E48 IonicContact NZ-OE2 2.73Å; K45-E48 PolarHBondContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact O-N 3.41Å; K45-L49 HydrophobicContact CG-CD1 4.43Å; K45-L49 WeakPolarHBondContact O-CG 3.35Å; K45-L49 PolarHBondContact O-N 3.46Å; K45-L49 VanDerWaalsContact O-N 3.11Å; K45-L106 HydrophobicContact CB-CD1 4.33Å; K45-L106 HydrophobicContact CG-CD1 4.1Å |
| 46 | A | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 69.6 Ų | 69.6 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | M42 A43 S44 E48 L49 E50 L106 | M42-A46 WeakPolarHBondContact O-CB 3.4Å; M42-A46 PolarHBondContact O-N 3.03Å; A43-A46 PolarHBondContact O-N 3.14Å; S44-A46 PolarHBondContact O-N 2.99Å; A46-E48 PolarHBondContact O-N 3.2Å; A46-L49 PolarHBondContact O-N 2.94Å; A46-E50 WeakPolarHBondContact O-CG 3.4Å; A46-E50 PolarHBondContact O-N 3.45Å; A46-L106 HydrophobicContact CB-CB 4.41Å; A46-L106 HydrophobicContact CB-CD1 4.39Å |
| 47 | A | 97.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A43 S44 E50 M51 | A43-A47 PolarHBondContact O-N 3.39Å; S44-A47 PolarHBondContact O-N 3.28Å; A47-E50 PolarHBondContact O-N 3.17Å; A47-M51 WeakPolarHBondContact O-CG 3.19Å; A47-M51 PolarHBondContact O-N 3.47Å; A47-M51 VanDerWaalsContact O-N 3.13Å |
| 48 | E | 97.7 | Very high | 97 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 173.6 | -72.5 | 172.7 | -168.8 | 0 | 0 | 111.9 | S44 K45 A46 E50 M51 E52 | S44-E48 WeakPolarHBondContact O-CG 3.5Å; S44-E48 PolarHBondContact O-N 2.92Å; S44-E48 VanDerWaalsContact O-N 3.08Å; K45-E48 IonicContact NZ-OE2 2.73Å; K45-E48 PolarHBondContact NZ-OE2 3.08Å; K45-E48 PolarHBondContact O-N 3.41Å; A46-E48 PolarHBondContact O-N 3.2Å; E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 2.94Å; E48-M51 WeakPolarHBondContact O-CB 3.41Å; E48-M51 PolarHBondContact O-N 3.11Å; E48-E52 PolarHBondContact O-N 2.97Å |
| 49 | L | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.1 | -32 | -179.2 | -68 | 179.2 | 0 | 0 | 0 | 112.5 | K45 A46 M51 E52 I53 I99 I102 V103 L106 | K45-L49 HydrophobicContact CG-CD1 4.43Å; K45-L49 WeakPolarHBondContact O-CG 3.35Å; K45-L49 PolarHBondContact O-N 3.46Å; K45-L49 VanDerWaalsContact O-N 3.11Å; A46-L49 PolarHBondContact O-N 2.94Å; L49-M51 VanDerWaalsContact C-N 3.31Å; L49-E52 PolarHBondContact O-N 3.2Å; L49-I53 WeakPolarHBondContact O-CG1 3.23Å; L49-I53 PolarHBondContact O-N 3.38Å; L49-I99 HydrophobicContact CB-CG2 3.75Å; L49-I99 HydrophobicContact CD2-CG2 4.01Å; L49-I99 HydrophobicContact CG-CG2 4.3Å; L49-I102 HydrophobicContact CD1-CB 4.37Å; L49-I102 HydrophobicContact CD1-CG2 3.63Å; L49-V103 HydrophobicContact CB-CG2 3.46Å; L49-V103 VanDerWaalsContact CB-CG2 3.46Å; L49-V103 HydrophobicContact CD1-CG2 4.22Å; L49-L106 HydrophobicContact CD1-CD1 3.94Å |
| 50 | E | 97.6 | Very high | 97 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 41% | 0.407 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 171.9 | -76.3 | 176.4 | 178 | 0 | 0 | 111.9 | A46 A47 E48 I53 N54 V103 | A46-E50 WeakPolarHBondContact O-CG 3.4Å; A46-E50 PolarHBondContact O-N 3.45Å; A47-E50 PolarHBondContact O-N 3.17Å; E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 2.94Å; E50-I53 PolarHBondContact O-N 2.89Å; E50-N54 VanDerWaalsContact O-CG 3.32Å; E50-N54 PolarHBondContact O-N 3.22Å; E50-N54 VanDerWaalsContact O-N 3.14Å; E50-N54 PolarHBondContact O-ND2 2.91Å; E50-N54 VanDerWaalsContact O-ND2 3.08Å; E50-V103 HydrophobicContact CG-CG1 3.9Å; E50-V103 HydrophobicContact CG-CG2 4.36Å |
| 51 | M | 97.8 | Very high | 97 | Very high | 120 Ų | 120 | 66.3 Ų | 66.3 | 59% | 0.591 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 172.1 | -66.8 | 178.3 | 62.4 | 0 | 0 | 111.6 | A47 E48 L49 I53 N54 E55 | A47-M51 WeakPolarHBondContact O-CG 3.19Å; A47-M51 PolarHBondContact O-N 3.47Å; A47-M51 VanDerWaalsContact O-N 3.13Å; E48-M51 WeakPolarHBondContact O-CB 3.41Å; E48-M51 PolarHBondContact O-N 3.11Å; L49-M51 VanDerWaalsContact C-N 3.31Å; M51-I53 VanDerWaalsContact C-N 3.31Å; M51-I53 PolarHBondContact O-N 3.06Å; M51-N54 WeakPolarHBondContact O-CB 3.44Å; M51-N54 PolarHBondContact O-N 3.11Å; M51-N54 VanDerWaalsContact O-N 3.09Å; M51-E55 WeakPolarHBondContact O-CG 3.37Å; M51-E55 PolarHBondContact O-N 2.91Å |
| 52 | E | 96.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.4 | -67.7 | -179.4 | -159.8 | 0 | 0 | 112.3 | E48 L49 N54 E55 H56 I99 | E48-E52 PolarHBondContact O-N 2.97Å; L49-E52 PolarHBondContact O-N 3.2Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 3.25Å; E52-E55 PolarHBondContact O-N 3.06Å; E52-H56 WeakPolarHBondContact O-CB 3.29Å; E52-H56 PolarHBondContact O-N 3.32Å; E52-I99 HydrophobicContact CB-CD1 4.34Å |
| 53 | I | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 174.6 | -70.6 | 165.5 | 0 | 0 | 0 | 111 | L49 E50 M51 S57 K96 I99 V103 | L49-I53 WeakPolarHBondContact O-CG1 3.23Å; L49-I53 PolarHBondContact O-N 3.38Å; E50-I53 PolarHBondContact O-N 2.89Å; M51-I53 VanDerWaalsContact C-N 3.31Å; M51-I53 PolarHBondContact O-N 3.06Å; I53-S57 WeakPolarHBondContact O-CB 3.48Å; I53-S57 PolarHBondContact O-N 3.45Å; I53-S57 PolarHBondContact O-OG 2.99Å; I53-K96 HydrophobicContact CG2-CG 4.22Å; I53-I99 HydrophobicContact CD1-CG2 3.9Å; I53-I99 HydrophobicContact CG1-CB 4.06Å; I53-I99 HydrophobicContact CG1-CG2 3.62Å; I53-V103 HydrophobicContact CD1-CB 4.48Å; I53-V103 HydrophobicContact CD1-CG2 3.91Å |
| 54 | N | 97.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 179.5 | -69.7 | -35.2 | 0 | 0 | 0 | 111.4 | E50 M51 E52 S57 L58 | E50-N54 VanDerWaalsContact O-CG 3.32Å; E50-N54 PolarHBondContact O-N 3.22Å; E50-N54 VanDerWaalsContact O-N 3.14Å; E50-N54 PolarHBondContact O-ND2 2.91Å; E50-N54 VanDerWaalsContact O-ND2 3.08Å; M51-N54 WeakPolarHBondContact O-CB 3.44Å; M51-N54 PolarHBondContact O-N 3.11Å; M51-N54 VanDerWaalsContact O-N 3.09Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 3.25Å; N54-S57 WeakPolarHBondContact O-CB 3.14Å; N54-S57 PolarHBondContact O-N 3.07Å; N54-L58 PolarHBondContact O-N 3.44Å |
| 55 | E | 96.2 | Very high | 96.5 | Very high | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 175 | -71.1 | -179.4 | -179.9 | 0 | 0 | 111.6 | M51 E52 S57 L58 V59 | M51-E55 WeakPolarHBondContact O-CG 3.37Å; M51-E55 PolarHBondContact O-N 2.91Å; E52-E55 PolarHBondContact O-N 3.06Å; E55-S57 VanDerWaalsContact C-N 3.28Å; E55-S57 PolarHBondContact O-N 3.33Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-V59 WeakPolarHBondContact O-CG2 3.18Å; E55-V59 PolarHBondContact O-N 3.47Å |
| 56 | H | 96.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 19% | 0.185 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 175.1 | -75.9 | -17.7 | 0 | 0 | 0 | 112.3 | E52 V59 I60 K96 | E52-H56 WeakPolarHBondContact O-CB 3.29Å; E52-H56 PolarHBondContact O-N 3.32Å; H56-V59 PolarHBondContact O-N 3.11Å; H56-I60 WeakPolarHBondContact O-CB 3.35Å; H56-I60 WeakPolarHBondContact O-CD1 3.41Å; H56-I60 WeakPolarHBondContact O-CG1 3.45Å; H56-I60 PolarHBondContact O-N 2.92Å; H56-K96 HydrophobicContact CB-CB 4.18Å |
| 57 | S | 97.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 112 | I53 N54 E55 I60 E61 K96 | I53-S57 WeakPolarHBondContact O-CB 3.48Å; I53-S57 PolarHBondContact O-N 3.45Å; I53-S57 PolarHBondContact O-OG 2.99Å; N54-S57 WeakPolarHBondContact O-CB 3.14Å; N54-S57 PolarHBondContact O-N 3.07Å; E55-S57 VanDerWaalsContact C-N 3.28Å; E55-S57 PolarHBondContact O-N 3.33Å; S57-I60 PolarHBondContact O-N 3.18Å; S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.47Å; S57-K96 VanDerWaalsContact OG-CE 3.23Å; S57-K96 WeakPolarHBondContact OG-CE 3.45Å; S57-K96 PolarHBondContact OG-NZ 3.4Å |
| 58 | L | 97.1 | Very high | 96.2 | Very high | 108 Ų | 108 | 76.6 Ų | 76.6 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 177.4 | -179.8 | 62.5 | 0 | 0 | 0 | 111.5 | N54 E55 I60 E61 T62 | N54-L58 PolarHBondContact O-N 3.44Å; E55-L58 PolarHBondContact O-N 3.02Å; L58-I60 PolarHBondContact O-N 3.29Å; L58-E61 PolarHBondContact O-N 3.43Å; L58-T62 HydrophobicContact CD1-CG2 4.38Å; L58-T62 WeakPolarHBondContact O-CG2 3.27Å; L58-T62 PolarHBondContact O-N 3.33Å; L58-T62 PolarHBondContact O-OG1 2.97Å |
| 59 | V | 95.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 178.8 | 177 | 0 | 0 | 0 | 0 | 110.9 | E55 H56 E61 T62 L63 L92 | E55-V59 WeakPolarHBondContact O-CG2 3.18Å; E55-V59 PolarHBondContact O-N 3.47Å; H56-V59 PolarHBondContact O-N 3.11Å; V59-E61 VanDerWaalsContact C-N 3.31Å; V59-E61 PolarHBondContact O-N 2.83Å; V59-T62 PolarHBondContact O-N 2.95Å; V59-T62 PolarHBondContact O-OG1 2.95Å; V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.32Å; V59-L63 WeakPolarHBondContact O-CB 3.47Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.28Å; V59-L92 HydrophobicContact CB-CD1 4.32Å; V59-L92 HydrophobicContact CG1-CD1 3.55Å |
| 60 | I | 96.2 | Very high | 96 | Very high | 42 Ų | 42 | 83.5 Ų | 83.5 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176 | -70.1 | 164.3 | 0 | 0 | 0 | 110.6 | H56 S57 L58 T62 L63 K64 L89 L92 K96 | H56-I60 WeakPolarHBondContact O-CB 3.35Å; H56-I60 WeakPolarHBondContact O-CD1 3.41Å; H56-I60 WeakPolarHBondContact O-CG1 3.45Å; H56-I60 PolarHBondContact O-N 2.92Å; S57-I60 PolarHBondContact O-N 3.18Å; L58-I60 PolarHBondContact O-N 3.29Å; I60-T62 VanDerWaalsContact C-N 3.3Å; I60-T62 PolarHBondContact O-N 3.35Å; I60-L63 PolarHBondContact O-N 3.33Å; I60-K64 WeakPolarHBondContact O-CB 3.41Å; I60-K64 PolarHBondContact O-N 3.49Å; I60-L89 HydrophobicContact CG2-CD2 4.29Å; I60-L92 HydrophobicContact CD1-CB 4Å; I60-L92 HydrophobicContact CG1-CB 3.78Å; I60-L92 HydrophobicContact CG1-CD1 4.26Å; I60-K96 HydrophobicContact CD1-CD 4.3Å |
| 61 | E | 96.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 85.1 Ų | 85.1 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 179 | -179.9 | 164.8 | -148.3 | 0 | 0 | 112.4 | S57 L58 V59 L63 K64 | S57-E61 WeakPolarHBondContact O-CB 3.46Å; S57-E61 PolarHBondContact O-N 3.47Å; L58-E61 PolarHBondContact O-N 3.43Å; V59-E61 VanDerWaalsContact C-N 3.31Å; V59-E61 PolarHBondContact O-N 2.83Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-K64 WeakPolarHBondContact O-CG 3.36Å; E61-K64 IonicContact OE1-NZ 2.69Å |
| 62 | T | 94.2 | Very high | 95.7 | Very high | 83 Ų | 83 | 80.8 Ų | 80.8 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.1 | -26.9 | 178.4 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | L58 V59 I60 V66 | L58-T62 HydrophobicContact CD1-CG2 4.38Å; L58-T62 WeakPolarHBondContact O-CG2 3.27Å; L58-T62 PolarHBondContact O-N 3.33Å; L58-T62 PolarHBondContact O-OG1 2.97Å; V59-T62 PolarHBondContact O-N 2.95Å; V59-T62 PolarHBondContact O-OG1 2.95Å; I60-T62 VanDerWaalsContact C-N 3.3Å; I60-T62 PolarHBondContact O-N 3.35Å; T62-V66 WeakPolarHBondContact O-CG2 3.33Å |
| 63 | L | 93.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 82.6 Ų | 82.6 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -96.5 | -17.4 | -175.2 | -69.4 | -179.5 | 0 | 0 | 0 | 113.8 | V59 I60 E61 D65 V66 V88 L89 L92 | V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.32Å; V59-L63 WeakPolarHBondContact O-CB 3.47Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.28Å; I60-L63 PolarHBondContact O-N 3.33Å; E61-L63 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 3.32Å; L63-V66 HydrophobicContact CD2-CG2 4.35Å; L63-V66 WeakPolarHBondContact O-CB 3.47Å; L63-V66 PolarHBondContact O-N 2.73Å; L63-V66 VanDerWaalsContact O-N 3.13Å; L63-V88 HydrophobicContact CD1-CG1 4.32Å; L63-L89 HydrophobicContact CB-CD2 3.76Å; L63-L89 HydrophobicContact CB-CG 4.3Å; L63-L92 HydrophobicContact CD1-CD1 4.32Å |
| 64 | K | 93.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 88.2 Ų | 88.2 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.5 | -175 | 75.7 | -169.8 | 175.8 | -173.6 | 0 | 113.6 | I60 E61 | I60-K64 WeakPolarHBondContact O-CB 3.41Å; I60-K64 PolarHBondContact O-N 3.49Å; E61-K64 WeakPolarHBondContact O-CG 3.36Å; E61-K64 IonicContact OE1-NZ 2.69Å |
| 65 | D | 93.9 | Very high | 94.8 | Very high | 137 Ų | 137 | 88.7 Ų | 88.7 | 73% | 0.733 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.3 | -177.8 | -58.1 | -46.8 | 0 | 0 | 0 | 112.4 | L63 | L63-D65 PolarHBondContact O-N 3.32Š|
| 66 | V | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 85.9 Ų | 85.9 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -89.3 | 145.9 | 178.7 | -179 | 0 | 0 | 0 | 0 | 109.8 | T62 L63 P68 R70 V85 | T62-V66 WeakPolarHBondContact O-CG2 3.33Å; L63-V66 HydrophobicContact CD2-CG2 4.35Å; L63-V66 WeakPolarHBondContact O-CB 3.47Å; L63-V66 PolarHBondContact O-N 2.73Å; L63-V66 VanDerWaalsContact O-N 3.13Å; V66-P68 WeakPolarHBondContact O-CD 3.46Å; V66-R70 HydrophobicContact CG1-CB 4.25Å; V66-V85 HydrophobicContact CG1-CG2 4.09Å |
| 67 | D | 96 | Very high | 94.3 | Very high | 90 Ų | 90 | 88.1 Ų | 88.1 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | trans | -49.5 | 121.1 | 174.9 | -179.9 | -11.1 | 0 | 0 | 0 | 111.5 | T69 R70 | D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.4Å; D67-T69 VanDerWaalsContact O-N 3.12Å; D67-T69 PolarHBondContact OD1-N 3.38Å; D67-T69 PolarHBondContact OD1-OG1 3.03Å; D67-T69 PolarHBondContact OD2-OG1 2.88Å; D67-T69 VanDerWaalsContact OD2-OG1 3.12Å; D67-R70 HydrophobicContact CB-CB 4.28Å; D67-R70 WeakPolarHBondContact O-CB 3.4Å; D67-R70 PolarHBondContact O-N 2.9Å | ||
| 68 | P | 95.2 | Very high | 94.2 | Very high | 75 Ų | 75 | 89.7 Ų | 89.7 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.4 | -179.4 | -24.9 | 33.6 | 0 | 0 | 0 | 114.6 | V66 V85 K86 | V66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-V85 PolarHBondContact O-N 2.96Å; P68-K86 HydrophobicContact CB-CB 4.01Å; P68-K86 WeakPolarHBondContact O-CB 3.39Å; P68-K86 WeakPolarHBondContact O-CG 3.36Å; P68-K86 PolarHBondContact O-N 2.98Å |
| 69 | T | 95.7 | Very high | 94.1 | Very high | 95 Ų | 95 | 89.1 Ų | 89.1 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.2 | 180 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | D67 | D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.4Å; D67-T69 VanDerWaalsContact O-N 3.12Å; D67-T69 PolarHBondContact OD1-N 3.38Å; D67-T69 PolarHBondContact OD1-OG1 3.03Å; D67-T69 PolarHBondContact OD2-OG1 2.88Å; D67-T69 VanDerWaalsContact OD2-OG1 3.12Å |
| 70 | R | 96.1 | Very high | 94 | Very high | 164 Ų | 164 | 91.7 Ų | 91.7 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -62.9 | 137.7 | 179.1 | -170.4 | 167.4 | 178.1 | 168.2 | -2.2 | 110.6 | V66 D67 T84 V85 | V66-R70 HydrophobicContact CG1-CB 4.25Å; D67-R70 HydrophobicContact CB-CB 4.28Å; D67-R70 WeakPolarHBondContact O-CB 3.4Å; D67-R70 PolarHBondContact O-N 2.9Å; R70-T84 WeakPolarHBondContact O-CA 3.42Å; R70-V85 HydrophobicContact CB-CG2 4.24Å; R70-V85 PolarHBondContact O-N 3.47Å |
| 71 | K | 95.9 | Very high | 94 | Very high | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.2 | 175.8 | -63 | -176.9 | 175.3 | -146.9 | 0 | 110.4 | F73 E82 R83 | K71-F73 HydrophobicContact CB-CE2 4.2Å; K71-F73 HydrophobicContact CB-CZ 4.32Å; K71-E82 HydrophobicContact CD-CG 4.43Å; K71-E82 VanDerWaalsContact CD-OE1 3.22Å; K71-E82 WeakPolarHBondContact CD-OE1 3.44Å; K71-E82 WeakPolarHBondContact CE-OE1 3.34Å; K71-E82 IonicContact NZ-OE1 3.36Å; K71-E82 PolarHBondContact NZ-OE1 3.25Å; K71-E82 IonicContact NZ-OE2 3.83Å; K71-E82 PolarHBondContact NZ-OE2 2.96Å; K71-R83 CarbonylContact C-O 3.58Å; K71-R83 WeakPolarHBondContact CA-O 3.34Å |
| 72 | C | 94.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 91.4 Ų | 91.4 | 20% | 0.203 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.1 | 175.2 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | R83 V88 | C72-R83 PolarHBondContact N-O 3.46Å; C72-R83 CarbonylContact O-C 3.56Å; C72-R83 PolarHBondContact O-N 3.23Å; C72-V88 HydrophobicContact CB-CG2 4.03Å |
| 73 | F | 93.6 | Very high | 93.9 | Very high | 112 Ų | 112 | 92.5 Ų | 92.5 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.1 | -179.2 | -61.2 | -87 | 0 | 0 | 0 | 109.6 | K71 L80 V81 E82 | K71-F73 HydrophobicContact CB-CE2 4.2Å; K71-F73 HydrophobicContact CB-CZ 4.32Å; F73-L80 HydrophobicContact CB-CD2 4.25Å; F73-V81 WeakPolarHBondContact CA-O 3.47Å; F73-E82 HydrophobicContact CD1-CB 4.07Å; F73-E82 HydrophobicContact CD1-CG 4.35Å; F73-E82 HydrophobicContact CE1-CB 3.79Å; F73-E82 HydrophobicContact CE1-CG 3.78Å; F73-E82 HydrophobicContact CZ-CG 4.26Å |
| 74 | R | 89.4 | Confident | 94 | Very high | 139 Ų | 139 | 92.4 Ų | 92.4 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.9 | 175.8 | -176.7 | 178.1 | 66.6 | 117 | -2 | 109.6 | V76 V81 | R74-V76 HydrophobicContact CG-CG2 4.11Å; R74-V81 PolarHBondContact N-O 3.47Å; R74-V81 PolarHBondContact O-N 3.28Å |
| 75 | L | 89.8 | Confident | 94.1 | Very high | 119 Ų | 119 | 87.2 Ų | 87.2 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.8 | 173.4 | -171.7 | 67.3 | 0 | 0 | 0 | 110.2 | L80 | L75-L80 HydrophobicContact CB-CD2 4.08Å; L75-L80 HydrophobicContact CD1-CD2 3.95Å; L75-L80 HydrophobicContact CD1-CG 4.33Å |
| 76 | V | 89.6 | Confident | 94.2 | Very high | 61 Ų | 61 | 86.6 Ų | 86.6 | 37% | 0.37 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 115.4 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | R74 G78 V79 V81 | R74-V76 HydrophobicContact CG-CG2 4.11Å; V76-G78 PolarHBondContact O-N 3.32Å; V76-G78 VanDerWaalsContact O-N 3.11Å; V76-V79 PolarHBondContact N-O 3.46Å; V76-V79 PolarHBondContact O-N 2.86Å; V76-V81 HydrophobicContact CB-CG2 4.43Å; V76-V81 HydrophobicContact CG2-CG2 4.12Å |
| 77 | G | 92.4 | Very high | 94.1 | Very high | 87 Ų | 87 | 89 Ų | 89 | 90% | 0.897 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 78 | G | 94.1 | Very high | 94 | Very high | 67 Ų | 67 | 85.8 Ų | 85.8 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V76 | V76-G78 PolarHBondContact O-N 3.32Å; V76-G78 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 95.1 | Very high | 94 | Very high | 96 Ų | 96 | 84.3 Ų | 84.3 | 58% | 0.582 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.2 | 177 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | V76 | V76-V79 PolarHBondContact N-O 3.46Å; V76-V79 PolarHBondContact O-N 2.86Å |
| 80 | L | 94.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 83.8 Ų | 83.8 | 60% | 0.597 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.2 | 172.4 | -70.3 | 174.4 | 0 | 0 | 0 | 110.2 | F73 L75 | F73-L80 HydrophobicContact CB-CD2 4.25Å; L75-L80 HydrophobicContact CB-CD2 4.08Å; L75-L80 HydrophobicContact CD1-CD2 3.95Å; L75-L80 HydrophobicContact CD1-CG 4.33Å |
| 81 | V | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 30% | 0.297 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.1 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 109 | F73 R74 V76 | F73-V81 WeakPolarHBondContact CA-O 3.47Å; R74-V81 PolarHBondContact N-O 3.47Å; R74-V81 PolarHBondContact O-N 3.28Å; V76-V81 HydrophobicContact CB-CG2 4.43Å; V76-V81 HydrophobicContact CG2-CG2 4.12Å |
| 82 | E | 94.6 | Very high | 93.8 | Very high | 101 Ų | 101 | 73.6 Ų | 73.6 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.6 | 174.2 | -171.5 | 176.8 | 142.3 | 0 | 0 | 111 | K71 F73 | K71-E82 HydrophobicContact CD-CG 4.43Å; K71-E82 VanDerWaalsContact CD-OE1 3.22Å; K71-E82 WeakPolarHBondContact CD-OE1 3.44Å; K71-E82 WeakPolarHBondContact CE-OE1 3.34Å; K71-E82 IonicContact NZ-OE1 3.36Å; K71-E82 PolarHBondContact NZ-OE1 3.25Å; K71-E82 IonicContact NZ-OE2 3.83Å; K71-E82 PolarHBondContact NZ-OE2 2.96Å; F73-E82 HydrophobicContact CD1-CB 4.07Å; F73-E82 HydrophobicContact CD1-CG 4.35Å; F73-E82 HydrophobicContact CE1-CB 3.79Å; F73-E82 HydrophobicContact CE1-CG 3.78Å; F73-E82 HydrophobicContact CZ-CG 4.26Å |
| 83 | R | 94.9 | Very high | 93.9 | Very high | 106 Ų | 106 | 73.5 Ų | 73.5 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 177.3 | 175.4 | -71.6 | -75.3 | 179.6 | 128.1 | -4 | 108.6 | K71 C72 E87 V88 | K71-R83 CarbonylContact C-O 3.58Å; K71-R83 WeakPolarHBondContact CA-O 3.34Å; C72-R83 PolarHBondContact N-O 3.46Å; C72-R83 CarbonylContact O-C 3.56Å; C72-R83 PolarHBondContact O-N 3.23Å; R83-E87 WeakPolarHBondContact CD-OE2 3.36Å; R83-V88 HydrophobicContact CB-CG2 3.64Å; R83-V88 HydrophobicContact CG-CG2 4.3Å |
| 84 | T | 96.5 | Very high | 94.1 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 15% | 0.153 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 157.8 | 169 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | R70 K86 E87 V88 | R70-T84 WeakPolarHBondContact O-CA 3.42Å; T84-K86 PolarHBondContact O-N 3.29Å; T84-K86 VanDerWaalsContact OG1-CE 3.29Å; T84-K86 WeakPolarHBondContact OG1-CE 3.44Å; T84-K86 WeakPolarHBondContact OG1-CG 3.41Å; T84-E87 PolarHBondContact N-OE2 3.12Å; T84-E87 WeakPolarHBondContact O-CB 3.49Å; T84-E87 PolarHBondContact O-N 3.03Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-OE2 3.09Å; T84-E87 VanDerWaalsContact OG1-OE2 3.11Å; T84-V88 WeakPolarHBondContact O-CG2 3.47Å; T84-V88 PolarHBondContact O-N 3.01Å |
| 85 | V | 94.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.024 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55.7 | -40 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | V66 P68 R70 E87 V88 L89 | V66-V85 HydrophobicContact CG1-CG2 4.09Å; P68-V85 PolarHBondContact O-N 2.96Å; R70-V85 HydrophobicContact CB-CG2 4.24Å; R70-V85 PolarHBondContact O-N 3.47Å; V85-E87 PolarHBondContact O-N 2.67Å; V85-V88 PolarHBondContact O-N 3.09Å; V85-L89 HydrophobicContact CG1-CD1 3.66Å; V85-L89 HydrophobicContact CG1-CG 4.01Å; V85-L89 PolarHBondContact O-N 3.41Å |
| 86 | K | 95.4 | Very high | 94.8 | Very high | 124 Ų | 124 | 65.1 Ų | 65.1 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.3 | -26.2 | 175 | 65.1 | 176.2 | -176.3 | 179 | 0 | 114.5 | P68 T84 P90 | P68-K86 HydrophobicContact CB-CB 4.01Å; P68-K86 WeakPolarHBondContact O-CB 3.39Å; P68-K86 WeakPolarHBondContact O-CG 3.36Å; P68-K86 PolarHBondContact O-N 2.98Å; T84-K86 PolarHBondContact O-N 3.29Å; T84-K86 VanDerWaalsContact OG1-CE 3.29Å; T84-K86 WeakPolarHBondContact OG1-CE 3.44Å; T84-K86 WeakPolarHBondContact OG1-CG 3.41Å; K86-P90 WeakPolarHBondContact O-CD 3.49Å; K86-P90 WeakPolarHBondContact O-CG 3.38Å |
| 87 | E | 93.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 68 Ų | 68 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -91.4 | -31.8 | 177.7 | -68.9 | 163.9 | 166.5 | 0 | 0 | 111.9 | R83 T84 V85 | R83-E87 WeakPolarHBondContact CD-OE2 3.36Å; T84-E87 PolarHBondContact N-OE2 3.12Å; T84-E87 WeakPolarHBondContact O-CB 3.49Å; T84-E87 PolarHBondContact O-N 3.03Å; T84-E87 WeakPolarHBondContact OG1-CG 3.42Å; T84-E87 PolarHBondContact OG1-OE2 3.09Å; T84-E87 VanDerWaalsContact OG1-OE2 3.11Å; V85-E87 PolarHBondContact O-N 2.67Å |
| 88 | V | 93.7 | Very high | 95.4 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -79.5 | -42.5 | -175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | L63 C72 R83 T84 V85 A91 L92 | L63-V88 HydrophobicContact CD1-CG1 4.32Å; C72-V88 HydrophobicContact CB-CG2 4.03Å; R83-V88 HydrophobicContact CB-CG2 3.64Å; R83-V88 HydrophobicContact CG-CG2 4.3Å; T84-V88 WeakPolarHBondContact O-CG2 3.47Å; T84-V88 PolarHBondContact O-N 3.01Å; V85-V88 PolarHBondContact O-N 3.09Å; V88-A91 PolarHBondContact O-N 3.45Å; V88-L92 HydrophobicContact CG1-CD1 3.67Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 WeakPolarHBondContact O-CG 3.23Å; V88-L92 PolarHBondContact O-N 3.45Å |
| 89 | L | 94.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | -177.8 | -82.3 | 175.2 | 0 | 0 | 0 | 113.2 | I60 L63 V85 A91 L92 G93 | I60-L89 HydrophobicContact CG2-CD2 4.29Å; L63-L89 HydrophobicContact CB-CD2 3.76Å; L63-L89 HydrophobicContact CB-CG 4.3Å; V85-L89 HydrophobicContact CG1-CD1 3.66Å; V85-L89 HydrophobicContact CG1-CG 4.01Å; V85-L89 PolarHBondContact O-N 3.41Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 2.94Å; L89-L92 PolarHBondContact O-N 3.41Å; L89-G93 PolarHBondContact O-N 2.96Å |
| 90 | P | 95.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.5 | -36.9 | 177.1 | -22.3 | 34.1 | 0 | 0 | 0 | 112.9 | K86 G93 S94 | K86-P90 WeakPolarHBondContact O-CD 3.49Å; K86-P90 WeakPolarHBondContact O-CG 3.38Å; P90-G93 PolarHBondContact O-N 2.98Å; P90-S94 WeakPolarHBondContact O-CB 3.48Å; P90-S94 PolarHBondContact O-N 3.36Å |
| 91 | A | 93.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V88 L89 S94 N95 | V88-A91 PolarHBondContact O-N 3.45Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 2.94Å; A91-S94 PolarHBondContact O-N 3.2Å; A91-N95 WeakPolarHBondContact O-CB 3.34Å; A91-N95 VanDerWaalsContact O-CG 3.26Å; A91-N95 PolarHBondContact O-N 2.93Å; A91-N95 PolarHBondContact O-OD1 2.9Å |
| 92 | L | 95.3 | Very high | 96 | Very high | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 175 | -71.5 | 174.6 | 0 | 0 | 0 | 111.7 | V59 I60 L63 V88 L89 K96 | V59-L92 HydrophobicContact CB-CD1 4.32Å; V59-L92 HydrophobicContact CG1-CD1 3.55Å; I60-L92 HydrophobicContact CD1-CB 4Å; I60-L92 HydrophobicContact CG1-CB 3.78Å; I60-L92 HydrophobicContact CG1-CD1 4.26Å; L63-L92 HydrophobicContact CD1-CD1 4.32Å; V88-L92 HydrophobicContact CG1-CD1 3.67Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 WeakPolarHBondContact O-CG 3.23Å; V88-L92 PolarHBondContact O-N 3.45Å; L89-L92 PolarHBondContact O-N 3.41Å; L92-K96 VanDerWaalsContact O-CB 3.3Å; L92-K96 WeakPolarHBondContact O-CB 3.5Å; L92-K96 PolarHBondContact O-N 3.41Å |
| 93 | G | 96.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L89 P90 K96 E97 | L89-G93 PolarHBondContact O-N 2.96Å; P90-G93 PolarHBondContact O-N 2.98Å; G93-K96 PolarHBondContact O-N 3.37Å; G93-E97 PolarHBondContact O-N 3.16Å |
| 94 | S | 97.5 | Very high | 96.3 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 178 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | P90 A91 E97 Q98 | P90-S94 WeakPolarHBondContact O-CB 3.48Å; P90-S94 PolarHBondContact O-N 3.36Å; A91-S94 PolarHBondContact O-N 3.2Å; S94-E97 PolarHBondContact O-N 3.5Å; S94-Q98 WeakPolarHBondContact O-CG 3.29Å; S94-Q98 PolarHBondContact O-N 2.86Å |
| 95 | N | 95.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 65 Ų | 65 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 177.1 | -75 | 10.2 | 0 | 0 | 0 | 111.4 | A91 E97 Q98 I99 | A91-N95 WeakPolarHBondContact O-CB 3.34Å; A91-N95 VanDerWaalsContact O-CG 3.26Å; A91-N95 PolarHBondContact O-N 2.93Å; A91-N95 PolarHBondContact O-OD1 2.9Å; N95-E97 VanDerWaalsContact C-N 3.32Å; N95-E97 PolarHBondContact O-N 3.35Å; N95-Q98 PolarHBondContact O-N 3.35Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.38Å; N95-I99 PolarHBondContact O-N 3.16Å |
| 96 | K | 97.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 66 Ų | 66 | 29% | 0.291 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.9 | -48.3 | 175.2 | 177 | -177.2 | 164.9 | 176.4 | 0 | 111.2 | I53 H56 S57 I60 L92 G93 Q98 I99 S100 | I53-K96 HydrophobicContact CG2-CG 4.22Å; H56-K96 HydrophobicContact CB-CB 4.18Å; S57-K96 VanDerWaalsContact OG-CE 3.23Å; S57-K96 WeakPolarHBondContact OG-CE 3.45Å; S57-K96 PolarHBondContact OG-NZ 3.4Å; I60-K96 HydrophobicContact CD1-CD 4.3Å; L92-K96 VanDerWaalsContact O-CB 3.3Å; L92-K96 WeakPolarHBondContact O-CB 3.5Å; L92-K96 PolarHBondContact O-N 3.41Å; G93-K96 PolarHBondContact O-N 3.37Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; K96-Q98 PolarHBondContact O-N 3.35Å; K96-I99 PolarHBondContact O-N 3.48Å; K96-S100 PolarHBondContact O-N 3.23Å; K96-S100 PolarHBondContact O-OG 3.02Å; K96-S100 VanDerWaalsContact O-OG 3.07Å |
| 97 | E | 98 | Very high | 96.5 | Very high | 122 Ų | 122 | 62.4 Ų | 62.4 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | 177.4 | -101.4 | -169 | 174.8 | 0 | 0 | 113.1 | G93 S94 N95 S100 K101 | G93-E97 PolarHBondContact O-N 3.16Å; S94-E97 PolarHBondContact O-N 3.5Å; N95-E97 VanDerWaalsContact C-N 3.32Å; N95-E97 PolarHBondContact O-N 3.35Å; E97-S100 PolarHBondContact O-N 3.47Å; E97-K101 WeakPolarHBondContact O-CG 3.3Å; E97-K101 PolarHBondContact O-N 2.83Å; E97-K101 VanDerWaalsContact O-N 3.11Å |
| 98 | Q | 97.9 | Very high | 96.7 | Very high | 109 Ų | 109 | 62.7 Ų | 62.7 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.5 | -72.4 | 175.6 | -35.1 | 0 | 0 | 111.3 | S94 N95 K96 K101 I102 | S94-Q98 WeakPolarHBondContact O-CG 3.29Å; S94-Q98 PolarHBondContact O-N 2.86Å; N95-Q98 PolarHBondContact O-N 3.35Å; K96-Q98 VanDerWaalsContact C-N 3.35Å; K96-Q98 PolarHBondContact O-N 3.35Å; Q98-K101 PolarHBondContact O-N 2.94Å; Q98-I102 WeakPolarHBondContact O-CG1 3.29Å; Q98-I102 PolarHBondContact O-N 3.36Å; Q98-I102 VanDerWaalsContact O-N 3.12Å |
| 99 | I | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.5 | -62.3 | 164.6 | 0 | 0 | 0 | 110.3 | L49 E52 I53 N95 K96 K101 I102 V103 | L49-I99 HydrophobicContact CB-CG2 3.75Å; L49-I99 HydrophobicContact CD2-CG2 4.01Å; L49-I99 HydrophobicContact CG-CG2 4.3Å; E52-I99 HydrophobicContact CB-CD1 4.34Å; I53-I99 HydrophobicContact CD1-CG2 3.9Å; I53-I99 HydrophobicContact CG1-CB 4.06Å; I53-I99 HydrophobicContact CG1-CG2 3.62Å; N95-I99 VanDerWaalsContact O-CG1 3.27Å; N95-I99 WeakPolarHBondContact O-CG1 3.38Å; N95-I99 PolarHBondContact O-N 3.16Å; K96-I99 PolarHBondContact O-N 3.48Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.32Å; I99-I102 WeakPolarHBondContact O-CB 3.49Å; I99-I102 PolarHBondContact O-N 2.94Å; I99-V103 HydrophobicContact CG2-CG2 4.42Å; I99-V103 WeakPolarHBondContact O-CG2 3.36Å; I99-V103 PolarHBondContact O-N 2.9Å |
| 100 | S | 97.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.6 | -42.7 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | K96 E97 I102 V103 E104 | K96-S100 PolarHBondContact O-N 3.23Å; K96-S100 PolarHBondContact O-OG 3.02Å; K96-S100 VanDerWaalsContact O-OG 3.07Å; E97-S100 PolarHBondContact O-N 3.47Å; S100-I102 VanDerWaalsContact C-N 3.32Å; S100-I102 PolarHBondContact O-N 3.09Å; S100-V103 PolarHBondContact O-N 3.32Å; S100-E104 PolarHBondContact O-N 3.36Å |
| 101 | K | 98 | Very high | 96.8 | Very high | 130 Ų | 130 | 67.5 Ų | 67.5 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -36.4 | 176.3 | -70.7 | 171 | -175 | 170.7 | 0 | 112.3 | E97 Q98 I99 S105 | E97-K101 WeakPolarHBondContact O-CG 3.3Å; E97-K101 PolarHBondContact O-N 2.83Å; E97-K101 VanDerWaalsContact O-N 3.11Å; Q98-K101 PolarHBondContact O-N 2.94Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 3.32Å; K101-S105 WeakPolarHBondContact O-CB 3.39Å; K101-S105 PolarHBondContact O-N 3.38Å |
| 102 | I | 97.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 46% | 0.456 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.2 | -65 | 165.2 | 0 | 0 | 0 | 110.1 | L49 Q98 I99 S100 E104 S105 L106 | L49-I102 HydrophobicContact CD1-CB 4.37Å; L49-I102 HydrophobicContact CD1-CG2 3.63Å; Q98-I102 WeakPolarHBondContact O-CG1 3.29Å; Q98-I102 PolarHBondContact O-N 3.36Å; Q98-I102 VanDerWaalsContact O-N 3.12Å; I99-I102 WeakPolarHBondContact O-CB 3.49Å; I99-I102 PolarHBondContact O-N 2.94Å; S100-I102 VanDerWaalsContact C-N 3.32Å; S100-I102 PolarHBondContact O-N 3.09Å; I102-E104 VanDerWaalsContact C-N 3.34Å; I102-E104 PolarHBondContact O-N 2.99Å; I102-S105 WeakPolarHBondContact O-CB 3.44Å; I102-S105 PolarHBondContact O-N 2.91Å; I102-L106 HydrophobicContact CG2-CD1 4.2Å; I102-L106 HydrophobicContact CG2-CG 4.43Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 3.32Å |
| 103 | V | 97.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L49 E50 I53 I99 S100 S105 L106 N107 | L49-V103 HydrophobicContact CB-CG2 3.46Å; L49-V103 VanDerWaalsContact CB-CG2 3.46Å; L49-V103 HydrophobicContact CD1-CG2 4.22Å; E50-V103 HydrophobicContact CG-CG1 3.9Å; E50-V103 HydrophobicContact CG-CG2 4.36Å; I53-V103 HydrophobicContact CD1-CB 4.48Å; I53-V103 HydrophobicContact CD1-CG2 3.91Å; I99-V103 HydrophobicContact CG2-CG2 4.42Å; I99-V103 WeakPolarHBondContact O-CG2 3.36Å; I99-V103 PolarHBondContact O-N 2.9Å; S100-V103 PolarHBondContact O-N 3.32Å; V103-S105 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 2.89Å; V103-N107 WeakPolarHBondContact O-CB 3.45Å; V103-N107 PolarHBondContact O-N 3.01Å; V103-N107 PolarHBondContact O-ND2 3.5Å |
| 104 | E | 97.8 | Very high | 96.8 | Very high | 126 Ų | 126 | 69.2 Ų | 69.2 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.6 | -45.6 | 175.6 | -173.1 | 177.2 | -169.9 | 0 | 0 | 111.7 | S100 I102 L106 N107 I108 | S100-E104 PolarHBondContact O-N 3.36Å; I102-E104 VanDerWaalsContact C-N 3.34Å; I102-E104 PolarHBondContact O-N 2.99Å; E104-L106 PolarHBondContact O-N 3.49Å; E104-N107 PolarHBondContact O-N 3.13Å; E104-I108 HydrophobicContact CG-CD1 4.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.34Å; E104-I108 PolarHBondContact O-N 3.19Å |
| 105 | S | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.7 | -174 | 0 | 0 | 0 | 0 | 112.5 | K101 I102 V103 N107 I108 Q109 | K101-S105 WeakPolarHBondContact O-CB 3.39Å; K101-S105 PolarHBondContact O-N 3.38Å; I102-S105 WeakPolarHBondContact O-CB 3.44Å; I102-S105 PolarHBondContact O-N 2.91Å; V103-S105 PolarHBondContact O-N 2.96Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.48Å; S105-I108 PolarHBondContact O-N 2.92Å; S105-Q109 WeakPolarHBondContact O-CB 3.48Å; S105-Q109 VanDerWaalsContact O-CG 3.3Å; S105-Q109 WeakPolarHBondContact O-CG 3.39Å; S105-Q109 PolarHBondContact O-N 3.47Å; S105-Q109 PolarHBondContact OG-NE2 3.47Å; S105-Q109 VanDerWaalsContact OG-NE2 3.16Å |
| 106 | L | 97 | Very high | 96.8 | Very high | 25 Ų | 25 | 74.2 Ų | 74.2 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.8 | -75.1 | 174.4 | 0 | 0 | 0 | 111.8 | M42 K45 A46 L49 I102 V103 E104 Q109 M110 | M42-L106 HydrophobicContact CG-CD2 4.26Å; K45-L106 HydrophobicContact CB-CD1 4.33Å; K45-L106 HydrophobicContact CG-CD1 4.1Å; A46-L106 HydrophobicContact CB-CB 4.41Å; A46-L106 HydrophobicContact CB-CD1 4.39Å; L49-L106 HydrophobicContact CD1-CD1 3.94Å; I102-L106 HydrophobicContact CG2-CD1 4.2Å; I102-L106 HydrophobicContact CG2-CG 4.43Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 3.32Å; V103-L106 PolarHBondContact O-N 2.89Å; E104-L106 PolarHBondContact O-N 3.49Å; L106-Q109 PolarHBondContact O-N 2.97Å; L106-M110 VanDerWaalsContact O-CB 3.23Å; L106-M110 WeakPolarHBondContact O-CB 3.48Å; L106-M110 PolarHBondContact O-N 3.22Å |
| 107 | N | 96.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.3 | -83.8 | -42.9 | 0 | 0 | 0 | 112 | V103 E104 S105 M110 Q111 | V103-N107 WeakPolarHBondContact O-CB 3.45Å; V103-N107 PolarHBondContact O-N 3.01Å; V103-N107 PolarHBondContact O-ND2 3.5Å; E104-N107 PolarHBondContact O-N 3.13Å; S105-N107 VanDerWaalsContact C-N 3.33Å; S105-N107 PolarHBondContact O-N 3.48Å; N107-M110 PolarHBondContact O-N 2.95Å; N107-M110 WeakPolarHBondContact OD1-CE 3.43Å; N107-Q111 WeakPolarHBondContact O-CG 3.43Å; N107-Q111 PolarHBondContact O-N 3.28Å |
| 108 | I | 97.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 69.5 Ų | 69.5 | 48% | 0.482 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.6 | -66.1 | 165.7 | 0 | 0 | 0 | 111.1 | E104 S105 Q111 T112 | E104-I108 HydrophobicContact CG-CD1 4.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.34Å; E104-I108 PolarHBondContact O-N 3.19Å; S105-I108 PolarHBondContact O-N 2.92Å; I108-Q111 PolarHBondContact O-N 2.94Å; I108-T112 WeakPolarHBondContact O-CB 3.47Å; I108-T112 PolarHBondContact O-N 3.3Å; I108-T112 PolarHBondContact O-OG1 2.87Å |
| 109 | Q | 95.9 | Very high | 96.3 | Very high | 92 Ų | 92 | 70.3 Ų | 70.3 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.8 | -72 | 177.3 | 43.2 | 0 | 0 | 111.5 | M42 S105 L106 Q111 T112 K113 | M42-Q109 HydrophobicContact SD-CB 3.83Å; S105-Q109 WeakPolarHBondContact O-CB 3.48Å; S105-Q109 VanDerWaalsContact O-CG 3.3Å; S105-Q109 WeakPolarHBondContact O-CG 3.39Å; S105-Q109 PolarHBondContact O-N 3.47Å; S105-Q109 PolarHBondContact OG-NE2 3.47Å; S105-Q109 VanDerWaalsContact OG-NE2 3.16Å; L106-Q109 PolarHBondContact O-N 2.97Å; Q109-Q111 PolarHBondContact O-N 3.38Å; Q109-T112 PolarHBondContact O-N 3.14Å; Q109-K113 WeakPolarHBondContact O-CB 3.42Å; Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.39Å; Q109-K113 PolarHBondContact O-N 3.05Å |
| 110 | M | 95.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 71.7 Ų | 71.7 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.8 | -177.3 | 175.5 | 62.2 | 0 | 0 | 112.2 | Q39 A43 L106 N107 G114 | Q39-M110 HydrophobicContact CG-CG 3.85Å; Q39-M110 PolarHBondContact NE2-O 2.96Å; A43-M110 HydrophobicContact CB-SD 3.71Å; L106-M110 VanDerWaalsContact O-CB 3.23Å; L106-M110 WeakPolarHBondContact O-CB 3.48Å; L106-M110 PolarHBondContact O-N 3.22Å; N107-M110 PolarHBondContact O-N 2.95Å; N107-M110 WeakPolarHBondContact OD1-CE 3.43Å; M110-G114 PolarHBondContact O-N 3.5Å |
| 111 | Q | 95.3 | Very high | 95.8 | Very high | 115 Ų | 115 | 74 Ų | 74 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 175.1 | -72.9 | 179.2 | 19.7 | 0 | 0 | 111.7 | N107 I108 Q109 K113 G114 R115 | N107-Q111 WeakPolarHBondContact O-CG 3.43Å; N107-Q111 PolarHBondContact O-N 3.28Å; I108-Q111 PolarHBondContact O-N 2.94Å; Q109-Q111 PolarHBondContact O-N 3.38Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.99Å; Q111-G114 PolarHBondContact O-N 3.4Å; Q111-G114 VanDerWaalsContact O-N 3.16Å; Q111-R115 PolarHBondContact O-N 3.29Å |
| 112 | T | 96.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 74.2 Ų | 74.2 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | I108 Q109 G114 R115 E116 | I108-T112 WeakPolarHBondContact O-CB 3.47Å; I108-T112 PolarHBondContact O-N 3.3Å; I108-T112 PolarHBondContact O-OG1 2.87Å; Q109-T112 PolarHBondContact O-N 3.14Å; T112-G114 VanDerWaalsContact C-N 3.3Å; T112-G114 PolarHBondContact O-N 2.93Å; T112-R115 WeakPolarHBondContact O-CB 3.48Å; T112-R115 PolarHBondContact O-N 2.95Å; T112-R115 VanDerWaalsContact O-N 3.14Å; T112-E116 PolarHBondContact O-N 2.74Å |
| 113 | K | 95.3 | Very high | 95.2 | Very high | 54 Ų | 54 | 77.2 Ų | 77.2 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 175.9 | -74.8 | -80.3 | 170.2 | -156.4 | 0 | 113.1 | M42 Q109 Q111 E116 L117 | M42-K113 HydrophobicContact CE-CB 4.01Å; M42-K113 HydrophobicContact CE-CD 4.48Å; M42-K113 HydrophobicContact CE-CG 3.65Å; Q109-K113 WeakPolarHBondContact O-CB 3.42Å; Q109-K113 VanDerWaalsContact O-CG 3.29Å; Q109-K113 WeakPolarHBondContact O-CG 3.39Å; Q109-K113 PolarHBondContact O-N 3.05Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.99Å; K113-E116 WeakPolarHBondContact CD-OE2 3.47Å; K113-E116 WeakPolarHBondContact CE-OE2 3.38Å; K113-E116 IonicContact NZ-OE2 2.76Å; K113-E116 PolarHBondContact NZ-OE2 3.16Å; K113-E116 PolarHBondContact O-N 2.8Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 WeakPolarHBondContact O-CG 3.2Å; K113-L117 PolarHBondContact O-N 3.05Å |
| 114 | G | 94.4 | Very high | 94.9 | Very high | 17 Ų | 17 | 80.5 Ų | 80.5 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | M110 Q111 T112 L117 T118 | M110-G114 PolarHBondContact O-N 3.5Å; Q111-G114 PolarHBondContact O-N 3.4Å; Q111-G114 VanDerWaalsContact O-N 3.16Å; T112-G114 VanDerWaalsContact C-N 3.3Å; T112-G114 PolarHBondContact O-N 2.93Å; G114-L117 PolarHBondContact O-N 3.27Å; G114-T118 PolarHBondContact O-N 3.22Å; G114-T118 VanDerWaalsContact O-N 3.13Å; G114-T118 PolarHBondContact O-OG1 3.39Å |
| 115 | R | 96.3 | Very high | 94.4 | Very high | 161 Ų | 161 | 81 Ų | 81 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.1 | -48.4 | 173.7 | -64 | 177.1 | -168.5 | 172.3 | 4.8 | 111 | Q111 T112 L117 T118 E119 | Q111-R115 PolarHBondContact O-N 3.29Å; T112-R115 WeakPolarHBondContact O-CB 3.48Å; T112-R115 PolarHBondContact O-N 2.95Å; T112-R115 VanDerWaalsContact O-N 3.14Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 2.97Å; R115-T118 WeakPolarHBondContact O-CB 3.17Å; R115-T118 PolarHBondContact O-N 2.88Å; R115-E119 WeakPolarHBondContact O-CG 3.31Å; R115-E119 PolarHBondContact O-N 3.47Å |
| 116 | E | 95.2 | Very high | 93.8 | Very high | 72 Ų | 72 | 79.2 Ų | 79.2 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.2 | -41.9 | 174.8 | -70.7 | 176.6 | -167 | 0 | 0 | 111.9 | T112 K113 T118 E119 Y120 | T112-E116 PolarHBondContact O-N 2.74Å; K113-E116 WeakPolarHBondContact CD-OE2 3.47Å; K113-E116 WeakPolarHBondContact CE-OE2 3.38Å; K113-E116 IonicContact NZ-OE2 2.76Å; K113-E116 PolarHBondContact NZ-OE2 3.16Å; K113-E116 PolarHBondContact O-N 2.8Å; E116-T118 VanDerWaalsContact C-N 3.34Å; E116-T118 PolarHBondContact O-N 3.41Å; E116-E119 PolarHBondContact O-N 2.9Å; E116-Y120 WeakPolarHBondContact O-CB 3.49Å; E116-Y120 PolarHBondContact O-N 3.05Å |
| 117 | L | 94.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 88.8 Ų | 88.8 | 7% | 0.073 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.7 | -87.5 | 163.9 | 0 | 0 | 0 | 112.3 | F32 M35 R36 Q39 K113 G114 R115 R121 | F32-L117 HydrophobicContact CD2-CD2 3.69Å; F32-L117 HydrophobicContact CE2-CD2 3.48Å; F32-L117 VanDerWaalsContact CE2-CD2 3.48Å; F32-L117 HydrophobicContact CG-CD2 4.46Å; F32-L117 HydrophobicContact CZ-CD2 4.1Å; M35-L117 HydrophobicContact CB-CD2 3.71Å; M35-L117 HydrophobicContact CB-CG 4.11Å; M35-L117 HydrophobicContact CE-CD2 3.98Å; R36-L117 HydrophobicContact CB-CD2 4.36Å; Q39-L117 HydrophobicContact CB-CD1 4.14Å; Q39-L117 HydrophobicContact CG-CD1 4.47Å; K113-L117 WeakPolarHBondContact O-CB 3.46Å; K113-L117 WeakPolarHBondContact O-CG 3.2Å; K113-L117 PolarHBondContact O-N 3.05Å; G114-L117 PolarHBondContact O-N 3.27Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 2.97Å; L117-R121 VanDerWaalsContact O-CB 3.29Å; L117-R121 WeakPolarHBondContact O-CB 3.46Å; L117-R121 PolarHBondContact O-N 3.3Å |
| 118 | T | 93.8 | Very high | 91.6 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.6 | -49.4 | 178.9 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | G114 R115 E116 Y120 R121 E122 | G114-T118 PolarHBondContact O-N 3.22Å; G114-T118 VanDerWaalsContact O-N 3.13Å; G114-T118 PolarHBondContact O-OG1 3.39Å; R115-T118 WeakPolarHBondContact O-CB 3.17Å; R115-T118 PolarHBondContact O-N 2.88Å; E116-T118 VanDerWaalsContact C-N 3.34Å; E116-T118 PolarHBondContact O-N 3.41Å; T118-Y120 VanDerWaalsContact C-N 3.32Å; T118-Y120 PolarHBondContact O-N 2.86Å; T118-R121 WeakPolarHBondContact O-CB 3.26Å; T118-R121 PolarHBondContact O-N 2.76Å; T118-E122 WeakPolarHBondContact O-CG 3.43Å; T118-E122 PolarHBondContact O-N 3.23Å |
| 119 | E | 95.4 | Very high | 89.8 | Confident | 127 Ų | 127 | 91.6 Ų | 91.6 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 176.8 | -69.2 | 173.4 | -164.8 | 0 | 0 | 111.9 | R115 E116 E122 K123 | R115-E119 WeakPolarHBondContact O-CG 3.31Å; R115-E119 PolarHBondContact O-N 3.47Å; E116-E119 PolarHBondContact O-N 2.9Å; E119-E122 PolarHBondContact O-N 2.95Å; E119-K123 WeakPolarHBondContact O-CB 3.29Å; E119-K123 PolarHBondContact O-N 3.21Å |
| 120 | Y | 93.8 | Very high | 88 | Confident | 47 Ų | 47 | 91 Ų | 91 | 18% | 0.184 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 178.6 | -162.1 | -88 | 0 | 0 | 0 | 112 | V28 A31 F32 M35 E116 T118 Y124 I126 | V28-Y120 WeakPolarHBondContact CA-OH 3.17Å; V28-Y120 HydrophobicContact CG1-CE1 3.81Å; V28-Y120 WeakPolarHBondContact O-CE1 3.45Å; A31-Y120 HydrophobicContact CB-CE1 4.48Å; A31-Y120 WeakPolarHBondContact CB-OH 3.42Å; F32-Y120 HydrophobicContact CB-CD1 4.08Å; F32-Y120 HydrophobicContact CB-CE1 4.05Å; F32-Y120 AromaticContact CD2-CD1 3.96Å; F32-Y120 HydrophobicContact CD2-CD1 3.96Å; M35-Y120 HydrophobicContact CE-CD1 3.67Å; M35-Y120 HydrophobicContact CE-CD2 3.89Å; M35-Y120 HydrophobicContact CE-CE1 4.26Å; M35-Y120 HydrophobicContact CE-CE2 4.45Å; M35-Y120 HydrophobicContact CE-CG 3.46Å; M35-Y120 VanDerWaalsContact CE-CG 3.46Å; E116-Y120 WeakPolarHBondContact O-CB 3.49Å; E116-Y120 PolarHBondContact O-N 3.05Å; T118-Y120 VanDerWaalsContact C-N 3.32Å; T118-Y120 PolarHBondContact O-N 2.86Å; Y120-Y124 AromaticContact CD1-CD2 3.97Å; Y120-Y124 HydrophobicContact CD1-CD2 3.97Å; Y120-Y124 HydrophobicContact CD1-CE2 4.43Å; Y120-Y124 HydrophobicContact CD2-CD2 4.2Å; Y120-Y124 AromaticContact CD2-CE2 3.92Å; Y120-Y124 HydrophobicContact CD2-CE2 3.92Å; Y120-Y124 AromaticContact CE1-CD2 3.77Å; Y120-Y124 HydrophobicContact CE1-CD2 3.77Å; Y120-Y124 HydrophobicContact CE1-CE2 4.07Å; Y120-Y124 HydrophobicContact CE2-CD2 4.02Å; Y120-Y124 AromaticContact CE2-CE2 3.51Å; Y120-Y124 HydrophobicContact CE2-CE2 3.51Å; Y120-Y124 HydrophobicContact CG-CD2 4.17Å; Y120-Y124 HydrophobicContact CG-CE2 4.36Å; Y120-Y124 AromaticContact CZ-CD2 3.79Å; Y120-Y124 AromaticContact CZ-CE2 3.57Å; Y120-Y124 WeakPolarHBondContact O-CD2 3.29Å; Y120-Y124 PolarHBondContact O-N 3.39Å; Y120-I126 HydrophobicContact CD1-CD1 3.67Å; Y120-I126 HydrophobicContact CE1-CD1 3.81Å |
| 121 | R | 90.3 | Very high | 85.8 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.3 | -177.3 | -174.7 | -177.2 | 169.9 | 4.6 | 111 | F32 L117 T118 N125 I126 E131 | F32-R121 HydrophobicContact CE2-CB 4Å; F32-R121 HydrophobicContact CZ-CB 4.49Å; L117-R121 VanDerWaalsContact O-CB 3.29Å; L117-R121 WeakPolarHBondContact O-CB 3.46Å; L117-R121 PolarHBondContact O-N 3.3Å; T118-R121 WeakPolarHBondContact O-CB 3.26Å; T118-R121 PolarHBondContact O-N 2.76Å; R121-N125 VanDerWaalsContact O-CA 3.31Å; R121-N125 WeakPolarHBondContact O-CA 3.43Å; R121-N125 PolarHBondContact O-N 3.28Å; R121-I126 HydrophobicContact CG-CB 4.37Å; R121-I126 PolarHBondContact O-N 3.39Å; R121-E131 IonicContact CZ-OE2 3.53Å; R121-E131 IonicContact NH1-OE2 3.64Å; R121-E131 IonicContact NH2-OE1 3.95Å; R121-E131 IonicContact NH2-OE2 2.67Å; R121-E131 PolarHBondContact NH2-OE2 3.32Å |
| 122 | E | 92 | Very high | 83.2 | Confident | 135 Ų | 135 | 92.3 Ų | 92.3 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.3 | -47.1 | 179.5 | -71.3 | 178 | -177.4 | 0 | 0 | 111.6 | T118 E119 Y124 N125 | T118-E122 WeakPolarHBondContact O-CG 3.43Å; T118-E122 PolarHBondContact O-N 3.23Å; E119-E122 PolarHBondContact O-N 2.95Å; E122-Y124 VanDerWaalsContact C-N 3.25Å; E122-Y124 PolarHBondContact O-N 3.02Å; E122-N125 PolarHBondContact O-N 2.77Å |
| 123 | K | 92.7 | Very high | 80.9 | Confident | 151 Ų | 151 | 98.6 Ų | 98.6 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.9 | -34.8 | -178.1 | -179.3 | 172.6 | 179.8 | 172.2 | 0 | 113.8 | E119 | E119-K123 WeakPolarHBondContact O-CB 3.29Å; E119-K123 PolarHBondContact O-N 3.21Å |
| 124 | Y | 90 | Very high | 78.5 | Confident | 79 Ų | 79 | 105.6 Ų | 105.6 | 31% | 0.31 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 10.3 | -177.8 | -63.1 | -77 | 0 | 0 | 0 | 113.8 | P23 V28 Y120 E122 I126 | P23-Y124 HydrophobicContact CG-CE1 4.12Å; V28-Y124 HydrophobicContact CB-CG 4.49Å; V28-Y124 VanDerWaalsContact CG1-CB 3.48Å; V28-Y124 HydrophobicContact CG1-CD1 3.98Å; V28-Y124 HydrophobicContact CG1-CD2 3.86Å; V28-Y124 HydrophobicContact CG1-CG 3.51Å; V28-Y124 HydrophobicContact CG2-CD1 3.73Å; V28-Y124 HydrophobicContact CG2-CD2 4.5Å; V28-Y124 HydrophobicContact CG2-CE1 3.81Å; V28-Y124 HydrophobicContact CG2-CG 4.09Å; Y120-Y124 AromaticContact CD1-CD2 3.97Å; Y120-Y124 HydrophobicContact CD1-CD2 3.97Å; Y120-Y124 HydrophobicContact CD1-CE2 4.43Å; Y120-Y124 HydrophobicContact CD2-CD2 4.2Å; Y120-Y124 AromaticContact CD2-CE2 3.92Å; Y120-Y124 HydrophobicContact CD2-CE2 3.92Å; Y120-Y124 AromaticContact CE1-CD2 3.77Å; Y120-Y124 HydrophobicContact CE1-CD2 3.77Å; Y120-Y124 HydrophobicContact CE1-CE2 4.07Å; Y120-Y124 HydrophobicContact CE2-CD2 4.02Å; Y120-Y124 AromaticContact CE2-CE2 3.51Å; Y120-Y124 HydrophobicContact CE2-CE2 3.51Å; Y120-Y124 HydrophobicContact CG-CD2 4.17Å; Y120-Y124 HydrophobicContact CG-CE2 4.36Å; Y120-Y124 AromaticContact CZ-CD2 3.79Å; Y120-Y124 AromaticContact CZ-CE2 3.57Å; Y120-Y124 WeakPolarHBondContact O-CD2 3.29Å; Y120-Y124 PolarHBondContact O-N 3.39Å; E122-Y124 VanDerWaalsContact C-N 3.25Å; E122-Y124 PolarHBondContact O-N 3.02Å; Y124-I126 PolarHBondContact O-N 2.82Å; Y124-I126 VanDerWaalsContact O-N 3.16Å |
| 125 | N | 88.3 | Confident | 76.1 | Confident | 136 Ų | 136 | 107.8 Ų | 107.8 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47 | 43 | -178.4 | -65.5 | 98.4 | 0 | 0 | 0 | 113.6 | R121 E122 R127 | R121-N125 VanDerWaalsContact O-CA 3.31Å; R121-N125 WeakPolarHBondContact O-CA 3.43Å; R121-N125 PolarHBondContact O-N 3.28Å; E122-N125 PolarHBondContact O-N 2.77Å; N125-R127 PolarHBondContact O-N 3.19Å |
| 126 | I | 85 | Confident | 73.7 | Confident | 17 Ų | 17 | 109.8 Ų | 109.8 | 9% | 0.087 | 57% | 0.569 | C | S | . | * | trans | -66.9 | 120.6 | -175.6 | -57.1 | 177.6 | 0 | 0 | 0 | 109.4 | V28 F32 Y120 R121 Y124 | V28-I126 HydrophobicContact CG1-CD1 3.75Å; V28-I126 HydrophobicContact CG1-CG1 4.07Å; F32-I126 HydrophobicContact CB-CD1 3.58Å; F32-I126 HydrophobicContact CD1-CD1 4.34Å; F32-I126 HydrophobicContact CD1-CG2 4.12Å; F32-I126 HydrophobicContact CD2-CD1 3.77Å; F32-I126 HydrophobicContact CE1-CG2 4.35Å; F32-I126 HydrophobicContact CG-CD1 3.64Å; F32-I126 HydrophobicContact CG-CG2 4.44Å; Y120-I126 HydrophobicContact CD1-CD1 3.67Å; Y120-I126 HydrophobicContact CE1-CD1 3.81Å; R121-I126 HydrophobicContact CG-CB 4.37Å; R121-I126 PolarHBondContact O-N 3.39Å; Y124-I126 PolarHBondContact O-N 2.82Å; Y124-I126 VanDerWaalsContact O-N 3.16Å | ||
| 127 | R | 78.6 | Confident | 71 | Confident | 227 Ų | 227 | 110 Ų | 110 | 86% | 0.857 | 59% | 0.59 | S | S | * | * | trans | -94.3 | 114.6 | 170.2 | -62.5 | -173.6 | -176.2 | -166.1 | 0.3 | 108.7 | N125 V129 | N125-R127 PolarHBondContact O-N 3.19Å; R127-V129 PolarHBondContact O-N 3.3Å | ||
| 128 | L | 68.9 | Low | 68.4 | Low | 45 Ų | 45 | 119.3 Ų | 119.3 | 24% | 0.236 | 63% | 0.63 | C | S | . | * | trans | -69.6 | 113.6 | 171.2 | -89.5 | 144.1 | 0 | 0 | 0 | 108.3 | F32 G130 E131 | F32-L128 HydrophobicContact CE1-CD1 3.94Å; F32-L128 HydrophobicContact CE1-CD2 4.17Å; F32-L128 HydrophobicContact CE1-CG 4.04Å; F32-L128 HydrophobicContact CZ-CD1 4.1Å; L128-G130 PolarHBondContact O-N 3.11Å; L128-E131 PolarHBondContact O-N 3.01Å; L128-E131 VanDerWaalsContact O-N 3.09Å | ||
| 129 | V | 59 | Low | 65.8 | Low | 156 Ų | 156 | 122 Ų | 122 | 95% | 0.945 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 103.8 | 170.2 | -176.2 | 0 | 0 | 0 | 0 | 106.8 | R127 | R127-V129 PolarHBondContact O-N 3.3Š|
| 130 | G | 57.6 | Low | 63.1 | Low | 78 Ų | 78 | 120.5 Ų | 120.5 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.4 | -18.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L128 | L128-G130 PolarHBondContact O-N 3.11Š|
| 131 | E | 49.5 | Very low | 60.6 | Low | 127 Ų | 127 | 122.8 Ų | 122.8 | 59% | 0.593 | 69% | 0.69 | S | S | * | * | trans | -99.4 | 66.2 | 162.9 | -71.1 | 174.4 | 125.2 | 0 | 0 | 108.7 | R121 L128 | R121-E131 IonicContact CZ-OE2 3.53Å; R121-E131 IonicContact NH1-OE2 3.64Å; R121-E131 IonicContact NH2-OE1 3.95Å; R121-E131 IonicContact NH2-OE2 2.67Å; R121-E131 PolarHBondContact NH2-OE2 3.32Å; L128-E131 PolarHBondContact O-N 3.01Å; L128-E131 VanDerWaalsContact O-N 3.09Å | ||
| 132 | G | 40.3 | Very low | 57.7 | Low | 63 Ų | 63 | 124.2 Ų | 124.2 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | -85.5 | 113.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 133 | E | 48.2 | Very low | 55 | Low | 195 Ų | 195 | 122.6 Ų | 122.6 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | 56.8 | 71.3 | 151.7 | -59.9 | -175 | 109.1 | 0 | 0 | 118.9 | ||||
| 134 | E | 44.9 | Very low | 52.1 | Low | 201 Ų | 201 | 123.2 Ų | 123.2 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | trans | -129.4 | 93.5 | 152.4 | -70.4 | -170 | 173.3 | 0 | 0 | 109.7 | ||||
| 135 | G | 44.6 | Very low | 49.3 | Very low | 62 Ų | 62 | 123 Ų | 123 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 162.7 | 43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 136 | Q | 45.3 | Very low | 46.5 | Very low | 204 Ų | 204 | 120.4 Ų | 120.4 | 95% | 0.953 | 75% | 0.75 | S | S | * | * | trans | 180 | 103.8 | 143.6 | -102.1 | 155.7 | 80.2 | 0 | 0 | 110.9 | ||||
| 137 | G | 37.5 | Very low | 44 | Very low | 76 Ų | 76 | 123.4 Ų | 123.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 173.9 | 92.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 138 | K | 39.8 | Very low | 42.1 | Very low | 210 Ų | 210 | 118 Ų | 118 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 88.8 | 155.9 | -56.8 | -179.2 | 177.8 | -179.8 | 0 | 118.6 | ||||
| 139 | S | 40.2 | Very low | 41 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 119.5 | 135.9 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 140 | A | 39.3 | Very low | 40 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -170 | 122.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 141 | A | 39.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -63.3 | 157.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 142 | T | 30.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 83% | 0.827 | S | S | * | * | 172.5 | 110.1 | 114.7 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 143 | S | 35.1 | Very low | 40.1 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | 40.1 | 130.7 | 137.7 | 81.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 144 | N | 31.5 | Very low | 40.4 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | 120.3 | 130.8 | 110.4 | -145.9 | 33.3 | 0 | 0 | 0 | 118.5 | |||||
| 145 | G | 30.1 | Very low | 40.2 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | 77.8 | 134.2 | 158 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 146 | G | 31.2 | Very low | 40.8 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | cis | 143.1 | 117.2 | 12.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 147 | G | 32.7 | Very low | 41.2 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | trans | 81.9 | 114.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 148 | S | 38 | Very low | 41.4 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 86% | 0.858 | S | S | * | * | 149.8 | 122.5 | 104.1 | -162.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 149 | K | 45.2 | Very low | 41.5 | Very low | 208 Ų | 208 | 119 Ų | 119 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | 25.7 | 128.6 | 146.4 | -70.4 | 177.7 | 172.1 | 175.4 | 0 | 120.1 | ||||
| 150 | G | 38.2 | Very low | 41.6 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | 173.2 | 99.7 | 148 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 151 | G | 44.5 | Very low | 41.7 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 86% | 0.855 | S | S | * | * | trans | 84.9 | 99.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | G153 | G151-G153 PolarHBondContact O-N 3.26Š| ||
| 152 | A | 52 | Low | 41.8 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 96% | 0.959 | 86% | 0.86 | S | S | * | * | trans | -63.9 | 117.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 153 | G | 53.2 | Low | 42.6 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 87% | 0.866 | S | S | * | * | trans | -128.1 | 113.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G151 | G151-G153 PolarHBondContact O-N 3.26Š| ||
| 154 | V | 54.7 | Low | 43.1 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 84% | 0.842 | 88% | 0.877 | S | S | * | * | trans | -109.5 | 121.4 | 163.3 | 169.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 155 | L | 39.8 | Very low | 44 | Very low | 172 Ų | 172 | 119.2 Ų | 119.2 | 90% | 0.901 | 88% | 0.877 | S | S | * | * | trans | -144 | 110 | 167.8 | -68.2 | 171.2 | 0 | 0 | 0 | 107.9 | ||||
| 156 | V | 57.4 | Low | 45.1 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 87% | 0.867 | 89% | 0.887 | S | S | * | * | trans | -122.3 | 124.2 | 158 | 168.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 157 | S | 54.7 | Low | 46.4 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 100% | 1.343 | 89% | 0.892 | S | S | * | * | trans | -67.4 | 0 | -175.2 | -56.8 | 0 | 0 | 0 | 0 | 114.2 |
Retrieved 157 of 157 residues in 377 ms
(Link to these results)