| 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 | 47.9 | Very low | 56.9 | Low | 247 Ų | 247 | 145.5 Ų | 145.5 | 100% | 1.217 | 86% | 0.86 | S | S | * | * | 0 | 115.3 | 0 | -74.4 | 173.8 | 152 | 0 | 0 | 106.6 | |||||
| 2 | G | 42.4 | Very low | 58.7 | Low | 84 Ų | 84 | 140.8 Ų | 140.8 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | -82.6 | 142.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | S | 49.1 | Very low | 60.1 | Low | 126 Ų | 126 | 140.2 Ų | 140.2 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | trans | -113 | 105.6 | 165.2 | -65.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | G | 43.6 | Very low | 61.3 | Low | 84 Ų | 84 | 140.2 Ų | 140.2 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -81.9 | 113.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | A | 54.1 | Low | 62.2 | Low | 85 Ų | 85 | 139.5 Ų | 139.5 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 111.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | H7 | A5-H7 PolarHBondContact O-N 3.36Š| ||
| 6 | S | 55.4 | Low | 62.9 | Low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -78 | 107.6 | 174.5 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | Q8 | S6-Q8 PolarHBondContact O-N 3.37Š| ||
| 7 | H | 57.4 | Low | 63.8 | Low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 101.4 | 170.6 | -81.1 | -99.4 | 0 | 0 | 0 | 109 | A5 | A5-H7 PolarHBondContact O-N 3.36Š| ||
| 8 | Q | 60.8 | Low | 64.6 | Low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 109.3 | 168.8 | -133 | 172.7 | 32.9 | 0 | 0 | 108.3 | S6 | S6-Q8 PolarHBondContact O-N 3.37Š| ||
| 9 | T | 71.9 | Confident | 65.2 | Low | 143 Ų | 143 | 134.5 Ų | 134.5 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -73.9 | 126 | 168.3 | 27.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | R | 69.4 | Low | 66.1 | Low | 216 Ų | 216 | 134.5 Ų | 134.5 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -104.8 | 134.6 | 168.1 | -74.9 | -173.4 | 136.7 | 123.7 | -0.5 | 108.6 | ||||
| 11 | D | 74.6 | Confident | 66.9 | Low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | -76.3 | 132.1 | 172.3 | -142.6 | -9.1 | 0 | 0 | 0 | 109 | ||||
| 12 | V | 77.5 | Confident | 68.6 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | trans | -121.6 | 112.9 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | F14 | V12-F14 HydrophobicContact CB-CE2 4.15Å; V12-F14 HydrophobicContact CB-CZ 4.41Å; V12-F14 HydrophobicContact CG1-CD2 4.27Å; V12-F14 HydrophobicContact CG1-CE1 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.74Å; V12-F14 HydrophobicContact CG1-CZ 3.66Å | ||
| 13 | T | 76.8 | Confident | 70.7 | Confident | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 119.4 | 173.6 | -47.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 14 | F | 76.9 | Confident | 72.3 | Confident | 141 Ų | 141 | 125.3 Ų | 125.3 | 62% | 0.618 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -95 | 136.8 | 171.8 | -64.9 | -84.3 | 0 | 0 | 0 | 109.6 | V12 | V12-F14 HydrophobicContact CB-CE2 4.15Å; V12-F14 HydrophobicContact CB-CZ 4.41Å; V12-F14 HydrophobicContact CG1-CD2 4.27Å; V12-F14 HydrophobicContact CG1-CE1 4.12Å; V12-F14 HydrophobicContact CG1-CE2 3.74Å; V12-F14 HydrophobicContact CG1-CZ 3.66Å |
| 15 | H | 75.8 | Confident | 74.2 | Confident | 129 Ų | 129 | 124.1 Ų | 124.1 | 60% | 0.597 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 150.9 | 167.5 | -113 | -2.3 | 0 | 0 | 0 | 110.4 | D17 D18 | H15-D17 PolarHBondContact O-N 2.99Å; H15-D17 VanDerWaalsContact O-N 3.1Å; H15-D18 WeakPolarHBondContact CB-OD2 3.38Å; H15-D18 PolarHBondContact N-OD2 2.84Å; H15-D18 WeakPolarHBondContact O-CB 3.22Å; H15-D18 PolarHBondContact O-N 3.2Å |
| 16 | P | 73.7 | Confident | 75.7 | Confident | 101 Ų | 101 | 123.3 Ų | 123.3 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -54.6 | -30.2 | 177.9 | -25.2 | 33.9 | 0 | 0 | 0 | 113.4 | D18 | P16-D18 VanDerWaalsContact C-N 3.32Š|
| 17 | D | 77.2 | Confident | 77 | Confident | 146 Ų | 146 | 123.3 Ų | 123.3 | 78% | 0.781 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -78 | -14.5 | 179.4 | -58.9 | -31.3 | 0 | 0 | 0 | 113.4 | H15 I19 | H15-D17 PolarHBondContact O-N 2.99Å; H15-D17 VanDerWaalsContact O-N 3.1Å; D17-I19 VanDerWaalsContact C-N 3.31Å |
| 18 | D | 78.3 | Confident | 78.2 | Confident | 104 Ų | 104 | 123.5 Ų | 123.5 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -82 | -11.8 | 177.5 | -59.8 | -37 | 0 | 0 | 0 | 112.3 | H15 P16 V20 | H15-D18 WeakPolarHBondContact CB-OD2 3.38Å; H15-D18 PolarHBondContact N-OD2 2.84Å; H15-D18 WeakPolarHBondContact O-CB 3.22Å; H15-D18 PolarHBondContact O-N 3.2Å; P16-D18 VanDerWaalsContact C-N 3.32Å; D18-V20 PolarHBondContact O-N 3.35Å |
| 19 | I | 76.6 | Confident | 79.4 | Confident | 113 Ų | 113 | 120.8 Ų | 120.8 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | trans | -90.6 | 88.6 | -176.3 | -53.1 | 176.6 | 0 | 0 | 0 | 109.4 | D17 I21 | D17-I19 VanDerWaalsContact C-N 3.31Å; I19-I21 HydrophobicContact CG2-CG1 4.46Å | ||
| 20 | V | 82.8 | Confident | 79.9 | Confident | 134 Ų | 134 | 120.5 Ų | 120.5 | 81% | 0.812 | 61% | 0.608 | S | S | * | * | trans | -86 | 114.4 | 174.4 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | D18 | D18-V20 PolarHBondContact O-N 3.35Š| ||
| 21 | I | 82.2 | Confident | 80.3 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | trans | -91.4 | 121.7 | 174.1 | -53.7 | 177 | 0 | 0 | 0 | 108.8 | I19 V25 I26 | I19-I21 HydrophobicContact CG2-CG1 4.46Å; I21-V25 HydrophobicContact CG2-CB 3.83Å; I21-V25 HydrophobicContact CG2-CG1 3.69Å; I21-I26 HydrophobicContact CB-CG1 4.48Å; I21-I26 HydrophobicContact CG2-CD1 4.48Å; I21-I26 HydrophobicContact CG2-CG1 3.81Å | ||
| 22 | S | 84.5 | Confident | 80.2 | Confident | 64 Ų | 64 | 110 Ų | 110 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | trans | -67.4 | 148.8 | 178.9 | 68 | 0 | 0 | 0 | 0 | 112.3 | D24 V25 I26 | S22-D24 PolarHBondContact O-N 3.37Å; S22-D24 VanDerWaalsContact O-N 3.12Å; S22-V25 WeakPolarHBondContact O-CB 3.31Å; S22-V25 PolarHBondContact O-N 3.41Å; S22-V25 WeakPolarHBondContact OG-CG2 3.29Å; S22-I26 PolarHBondContact O-N 2.76Å; S22-I26 VanDerWaalsContact O-N 3.14Å | ||
| 23 | E | 85.3 | Confident | 79.8 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.4 | -32.5 | 179.8 | -71.9 | -170.6 | 165.6 | 0 | 0 | 113.2 | I26 K27 | E23-I26 PolarHBondContact O-N 2.81Å; E23-K27 WeakPolarHBondContact O-CG 3.3Å; E23-K27 PolarHBondContact O-N 2.77Å |
| 24 | D | 82.9 | Confident | 79 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -36.1 | 177.8 | -70 | -22.3 | 0 | 0 | 0 | 112.5 | S22 K27 R28 | S22-D24 PolarHBondContact O-N 3.37Å; S22-D24 VanDerWaalsContact O-N 3.12Å; D24-K27 PolarHBondContact O-N 3.16Å; D24-R28 WeakPolarHBondContact O-CG 3.31Å; D24-R28 PolarHBondContact O-N 3.04Å |
| 25 | V | 84.1 | Confident | 78 | Confident | 58 Ų | 58 | 106 Ų | 106 | 35% | 0.352 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -42.5 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | I21 S22 K27 R28 I29 | I21-V25 HydrophobicContact CG2-CB 3.83Å; I21-V25 HydrophobicContact CG2-CG1 3.69Å; S22-V25 WeakPolarHBondContact O-CB 3.31Å; S22-V25 PolarHBondContact O-N 3.41Å; S22-V25 WeakPolarHBondContact OG-CG2 3.29Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 2.95Å; V25-R28 PolarHBondContact O-N 3.29Å; V25-I29 HydrophobicContact CG1-CD1 3.86Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 VanDerWaalsContact O-CG1 3.31Å; V25-I29 WeakPolarHBondContact O-CG1 3.37Å; V25-I29 PolarHBondContact O-N 3.4Å |
| 26 | I | 85.6 | Confident | 76.8 | Confident | 69 Ų | 69 | 107.6 Ų | 107.6 | 35% | 0.354 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.2 | -43.7 | 175 | -60.9 | 172.9 | 0 | 0 | 0 | 110.7 | I21 S22 E23 I29 K30 | I21-I26 HydrophobicContact CB-CG1 4.48Å; I21-I26 HydrophobicContact CG2-CD1 4.48Å; I21-I26 HydrophobicContact CG2-CG1 3.81Å; S22-I26 PolarHBondContact O-N 2.76Å; S22-I26 VanDerWaalsContact O-N 3.14Å; E23-I26 PolarHBondContact O-N 2.81Å; I26-I29 PolarHBondContact O-N 3.48Å; I26-K30 HydrophobicContact CG2-CD 4.19Å; I26-K30 WeakPolarHBondContact O-CB 3.38Å; I26-K30 WeakPolarHBondContact O-CG 3.49Å; I26-K30 PolarHBondContact O-N 2.67Å |
| 27 | K | 83.7 | Confident | 75.6 | Confident | 112 Ų | 112 | 109.4 Ų | 109.4 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 175.9 | -76.8 | 174 | -173.3 | 165.4 | 0 | 112.1 | E23 D24 V25 I29 K30 N31 | E23-K27 WeakPolarHBondContact O-CG 3.3Å; E23-K27 PolarHBondContact O-N 2.77Å; D24-K27 PolarHBondContact O-N 3.16Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 2.95Å; K27-I29 PolarHBondContact O-N 3.38Å; K27-K30 PolarHBondContact O-N 2.87Å; K27-N31 VanDerWaalsContact O-CB 3.3Å; K27-N31 WeakPolarHBondContact O-CB 3.45Å; K27-N31 PolarHBondContact O-N 3.37Å; K27-N31 PolarHBondContact O-OD1 3.27Å |
| 28 | R | 81.4 | Confident | 74.1 | Confident | 180 Ų | 180 | 110.4 Ų | 110.4 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.5 | -42.3 | 176.7 | -72.2 | 178.6 | -147.3 | -177.1 | 5.2 | 112.1 | D24 V25 N31 A32 | D24-R28 WeakPolarHBondContact O-CG 3.31Å; D24-R28 PolarHBondContact O-N 3.04Å; V25-R28 PolarHBondContact O-N 3.29Å; R28-N31 PolarHBondContact O-N 3.22Å; R28-A32 VanDerWaalsContact O-CB 3.29Å; R28-A32 WeakPolarHBondContact O-CB 3.35Å; R28-A32 PolarHBondContact O-N 3.39Å |
| 29 | I | 85.4 | Confident | 72.8 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 55% | 0.549 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.3 | -44.8 | 177.9 | -66 | 166.8 | 0 | 0 | 0 | 110.4 | V25 I26 K27 A32 A33 | V25-I29 HydrophobicContact CG1-CD1 3.86Å; V25-I29 HydrophobicContact CG1-CG1 4.47Å; V25-I29 VanDerWaalsContact O-CG1 3.31Å; V25-I29 WeakPolarHBondContact O-CG1 3.37Å; V25-I29 PolarHBondContact O-N 3.4Å; I26-I29 PolarHBondContact O-N 3.48Å; K27-I29 PolarHBondContact O-N 3.38Å; I29-A32 PolarHBondContact O-N 3.07Å; I29-A33 PolarHBondContact O-N 3.2Å |
| 30 | K | 83.3 | Confident | 71.1 | Confident | 137 Ų | 137 | 114.3 Ų | 114.3 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 175.9 | -74.7 | 179.3 | 177.8 | -178.2 | 0 | 112.2 | I26 K27 A33 T34 | I26-K30 HydrophobicContact CG2-CD 4.19Å; I26-K30 WeakPolarHBondContact O-CB 3.38Å; I26-K30 WeakPolarHBondContact O-CG 3.49Å; I26-K30 PolarHBondContact O-N 2.67Å; K27-K30 PolarHBondContact O-N 2.87Å; K30-A33 PolarHBondContact O-N 3.01Å; K30-T34 WeakPolarHBondContact O-CG2 3.39Å; K30-T34 PolarHBondContact O-N 2.88Å; K30-T34 PolarHBondContact O-OG1 3.05Å |
| 31 | N | 77.6 | Confident | 69.4 | Low | 99 Ų | 99 | 114.4 Ų | 114.4 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.7 | -43.5 | 179.5 | -69.6 | -3.6 | 0 | 0 | 0 | 111.1 | K27 R28 A33 T34 T35 | K27-N31 VanDerWaalsContact O-CB 3.3Å; K27-N31 WeakPolarHBondContact O-CB 3.45Å; K27-N31 PolarHBondContact O-N 3.37Å; K27-N31 PolarHBondContact O-OD1 3.27Å; R28-N31 PolarHBondContact O-N 3.22Å; N31-A33 VanDerWaalsContact C-N 3.29Å; N31-A33 PolarHBondContact O-N 3.4Å; N31-T34 VanDerWaalsContact CA-OG1 3.31Å; N31-T34 WeakPolarHBondContact CA-OG1 3.39Å; N31-T34 PolarHBondContact O-N 3.41Å; N31-T34 PolarHBondContact O-OG1 2.98Å; N31-T35 PolarHBondContact O-N 3.38Å; N31-T35 PolarHBondContact O-OG1 3.3Å |
| 32 | A | 73.5 | Confident | 67.7 | Low | 59 Ų | 59 | 118.1 Ų | 118.1 | 49% | 0.488 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -57.7 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R28 I29 T34 T35 | R28-A32 VanDerWaalsContact O-CB 3.29Å; R28-A32 WeakPolarHBondContact O-CB 3.35Å; R28-A32 PolarHBondContact O-N 3.39Å; I29-A32 PolarHBondContact O-N 3.07Å; A32-T34 VanDerWaalsContact C-N 3.3Å; A32-T34 PolarHBondContact O-N 2.84Å; A32-T35 PolarHBondContact O-N 3.5Å |
| 33 | A | 67.4 | Low | 66.2 | Low | 71 Ų | 71 | 121.8 Ų | 121.8 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.6 | -28.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I29 K30 N31 | I29-A33 PolarHBondContact O-N 3.2Å; K30-A33 PolarHBondContact O-N 3.01Å; N31-A33 VanDerWaalsContact C-N 3.29Å; N31-A33 PolarHBondContact O-N 3.4Å |
| 34 | T | 60.1 | Low | 64.4 | Low | 94 Ų | 94 | 120.7 Ų | 120.7 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.5 | -12.4 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | K30 N31 A32 E36 | K30-T34 WeakPolarHBondContact O-CG2 3.39Å; K30-T34 PolarHBondContact O-N 2.88Å; K30-T34 PolarHBondContact O-OG1 3.05Å; N31-T34 VanDerWaalsContact CA-OG1 3.31Å; N31-T34 WeakPolarHBondContact CA-OG1 3.39Å; N31-T34 PolarHBondContact O-N 3.41Å; N31-T34 PolarHBondContact O-OG1 2.98Å; A32-T34 VanDerWaalsContact C-N 3.3Å; A32-T34 PolarHBondContact O-N 2.84Å; T34-E36 VanDerWaalsContact C-N 3.31Å |
| 35 | T | 56.3 | Low | 62.8 | Low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -3.2 | -176.9 | -30.5 | 0 | 0 | 0 | 0 | 112.6 | N31 A32 | N31-T35 PolarHBondContact O-N 3.38Å; N31-T35 PolarHBondContact O-OG1 3.3Å; A32-T35 PolarHBondContact O-N 3.5Å |
| 36 | E | 51.3 | Low | 61.2 | Low | 161 Ų | 161 | 123.4 Ų | 123.4 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3.4 | -176.7 | -64.2 | -171.5 | 162 | 0 | 0 | 114.2 | T34 N38 | T34-E36 VanDerWaalsContact C-N 3.31Å; E36-N38 VanDerWaalsContact C-N 3.35Å; E36-N38 PolarHBondContact O-N 2.64Å |
| 37 | D | 49.2 | Very low | 59.5 | Low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 16 | -173.5 | -94.6 | -23.5 | 0 | 0 | 0 | 116.3 | ||
| 38 | N | 45.2 | Very low | 57.9 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 11.7 | -179 | -84.3 | -74.4 | 0 | 0 | 0 | 117.4 | E36 | E36-N38 VanDerWaalsContact C-N 3.35Å; E36-N38 PolarHBondContact O-N 2.64Å |
| 39 | A | 50.2 | Low | 56.3 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | trans | -118 | 103 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D41 | A39-D41 VanDerWaalsContact C-N 3.32Å; A39-D41 PolarHBondContact O-N 3.03Å | ||
| 40 | K | 41.2 | Very low | 54.9 | Low | 217 Ų | 217 | 130.7 Ų | 130.7 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -66.7 | 91.5 | 166.1 | -71.5 | 173.6 | 176.1 | 170 | 0 | 108.3 | ||||
| 41 | D | 47 | Very low | 53.3 | Low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | -130.8 | 122.8 | 160.7 | -107.9 | -30.5 | 0 | 0 | 0 | 107.3 | A39 L43 | A39-D41 VanDerWaalsContact C-N 3.32Å; A39-D41 PolarHBondContact O-N 3.03Å; D41-L43 VanDerWaalsContact C-N 3.31Å; D41-L43 HydrophobicContact CB-CD1 4.3Å; D41-L43 PolarHBondContact O-N 2.84Å | ||
| 42 | D | 47.3 | Very low | 52.2 | Low | 173 Ų | 173 | 130.8 Ų | 130.8 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | trans | -59.2 | 88.2 | 174 | -77 | -70.7 | 0 | 0 | 0 | 109.9 | ||||
| 43 | L | 53.1 | Low | 51.4 | Low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -110.4 | 131.9 | 165.7 | -99.3 | 80.9 | 0 | 0 | 0 | 109.9 | D41 A45 | D41-L43 VanDerWaalsContact C-N 3.31Å; D41-L43 HydrophobicContact CB-CD1 4.3Å; D41-L43 PolarHBondContact O-N 2.84Å; L43-A45 PolarHBondContact O-N 2.99Å | ||
| 44 | P | 47.1 | Very low | 51.4 | Low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 129.9 | 177.2 | 6.3 | 1.6 | 0 | 0 | 0 | 108.7 | ||||
| 45 | A | 48.7 | Very low | 52.2 | Low | 82 Ų | 82 | 138.5 Ų | 138.5 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -43.3 | 133.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L43 E47 | L43-A45 PolarHBondContact O-N 2.99Å; A45-E47 PolarHBondContact O-N 2.65Å | ||
| 46 | P | 51.6 | Low | 53.3 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -58.2 | 112.8 | 179.5 | 23.6 | -30.6 | 0 | 0 | 0 | 106.9 | S48 | P46-S48 PolarHBondContact O-N 3.39Å; P46-S48 VanDerWaalsContact O-N 3.16Å | ||
| 47 | E | 49.8 | Very low | 54.9 | Low | 166 Ų | 166 | 132.5 Ų | 132.5 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -48.8 | 128.3 | 176.4 | -75.6 | -172.6 | 150 | 0 | 0 | 107.5 | A45 F49 | A45-E47 PolarHBondContact O-N 2.65Å; E47-F49 PolarHBondContact O-N 2.91Å | ||
| 48 | S | 48.5 | Very low | 56.8 | Low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | -52.1 | 88.8 | 176.5 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | P46 K50 | P46-S48 PolarHBondContact O-N 3.39Å; P46-S48 VanDerWaalsContact O-N 3.16Å; S48-K50 PolarHBondContact O-N 3.35Å | ||
| 49 | F | 49.7 | Very low | 58.9 | Low | 185 Ų | 185 | 128.9 Ų | 128.9 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | -71.8 | 68.6 | 167.4 | -103.7 | -93.5 | 0 | 0 | 0 | 106.7 | E47 P51 | E47-F49 PolarHBondContact O-N 2.91Å; F49-P51 WeakPolarHBondContact O-CD 3.18Å; F49-P51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | K | 54.7 | Low | 60.9 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -65.2 | 105.2 | 159.5 | -81.5 | -173.5 | 179.2 | -177.8 | 0 | 105 | S48 Q52 | S48-K50 PolarHBondContact O-N 3.35Å; K50-Q52 PolarHBondContact O-N 2.89Å | ||
| 51 | P | 50.9 | Low | 63.3 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 41% | 0.409 | 66% | 0.661 | S | S | . | * | trans | -71.6 | 138.8 | -156.8 | -10.1 | 25.1 | 0 | 0 | 0 | 108.3 | F49 Y53 S54 | F49-P51 WeakPolarHBondContact O-CD 3.18Å; F49-P51 VanDerWaalsContact O-N 3.12Å; P51-Y53 HydrophobicContact CB-CD2 3.63Å; P51-Y53 HydrophobicContact CB-CG 4.39Å; P51-Y53 PolarHBondContact O-N 3Å; P51-S54 WeakPolarHBondContact O-CB 3.31Å; P51-S54 PolarHBondContact O-N 3.47Å; P51-S54 PolarHBondContact O-OG 3.5Å | ||
| 52 | Q | 54.4 | Low | 65.6 | Low | 176 Ų | 176 | 123.3 Ų | 123.3 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -24 | 170.9 | -163.5 | 162.2 | 9 | 0 | 0 | 112.4 | K50 S54 L55 G56 | K50-Q52 PolarHBondContact O-N 2.89Å; Q52-S54 VanDerWaalsContact C-N 3.29Å; Q52-S54 PolarHBondContact O-N 2.92Å; Q52-L55 PolarHBondContact O-N 3.46Å; Q52-G56 PolarHBondContact O-N 3.17Å |
| 53 | Y | 55.5 | Low | 67.8 | Low | 202 Ų | 202 | 118.3 Ų | 118.3 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.8 | -31.8 | 170.2 | -57.9 | -79.5 | 0 | 0 | 0 | 114.5 | P51 L55 G56 L57 | P51-Y53 HydrophobicContact CB-CD2 3.63Å; P51-Y53 HydrophobicContact CB-CG 4.39Å; P51-Y53 PolarHBondContact O-N 3Å; Y53-L55 VanDerWaalsContact C-N 3.3Å; Y53-L55 PolarHBondContact O-N 3.39Å; Y53-G56 PolarHBondContact O-N 3.4Å; Y53-L57 VanDerWaalsContact O-CB 3.31Å; Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 PolarHBondContact O-N 2.94Å |
| 54 | S | 67.3 | Low | 69.8 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -29.7 | 177.3 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | P51 Q52 K58 | P51-S54 WeakPolarHBondContact O-CB 3.31Å; P51-S54 PolarHBondContact O-N 3.47Å; P51-S54 PolarHBondContact O-OG 3.5Å; Q52-S54 VanDerWaalsContact C-N 3.29Å; Q52-S54 PolarHBondContact O-N 2.92Å; S54-K58 WeakPolarHBondContact O-CB 3.5Å; S54-K58 WeakPolarHBondContact O-CD 3.47Å; S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 3.27Å |
| 55 | L | 76.4 | Confident | 72.2 | Confident | 127 Ų | 127 | 112.1 Ų | 112.1 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.2 | -42 | 177.1 | -158.1 | 81.8 | 0 | 0 | 0 | 110.8 | Q52 Y53 K58 H59 | Q52-L55 PolarHBondContact O-N 3.46Å; Y53-L55 VanDerWaalsContact C-N 3.3Å; Y53-L55 PolarHBondContact O-N 3.39Å; L55-K58 PolarHBondContact O-N 3.46Å; L55-H59 PolarHBondContact O-N 2.91Å |
| 56 | G | 79.6 | Confident | 74.5 | Confident | 34 Ų | 34 | 113.9 Ų | 113.9 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q52 Y53 K58 H59 E60 | Q52-G56 PolarHBondContact O-N 3.17Å; Y53-G56 PolarHBondContact O-N 3.4Å; G56-K58 VanDerWaalsContact C-N 3.33Å; G56-K58 PolarHBondContact O-N 3.44Å; G56-H59 PolarHBondContact O-N 2.93Å; G56-E60 WeakPolarHBondContact O-CG 3.47Å; G56-E60 PolarHBondContact O-N 2.86Å |
| 57 | L | 86.3 | Confident | 76.7 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 61% | 0.613 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 178.1 | -173 | 65.7 | 0 | 0 | 0 | 112.5 | Y53 E60 L61 | Y53-L57 VanDerWaalsContact O-CB 3.31Å; Y53-L57 WeakPolarHBondContact O-CB 3.37Å; Y53-L57 PolarHBondContact O-N 2.94Å; L57-E60 PolarHBondContact O-N 3.45Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 PolarHBondContact O-N 3.2Å |
| 58 | K | 88.4 | Confident | 79 | Confident | 128 Ų | 128 | 115.6 Ų | 115.6 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -46.2 | 173.5 | -78.3 | 175.3 | -179.4 | -169.1 | 0 | 111.8 | S54 L55 G56 E60 L61 E62 | S54-K58 WeakPolarHBondContact O-CB 3.5Å; S54-K58 WeakPolarHBondContact O-CD 3.47Å; S54-K58 WeakPolarHBondContact O-CG 3.35Å; S54-K58 PolarHBondContact O-N 3.27Å; L55-K58 PolarHBondContact O-N 3.46Å; G56-K58 VanDerWaalsContact C-N 3.33Å; G56-K58 PolarHBondContact O-N 3.44Å; K58-E60 VanDerWaalsContact C-N 3.34Å; K58-E60 PolarHBondContact O-N 2.97Å; K58-L61 PolarHBondContact O-N 2.94Å; K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 3.12Å |
| 59 | H | 89.4 | Confident | 81.3 | Confident | 101 Ų | 101 | 116.4 Ų | 116.4 | 47% | 0.468 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 178.2 | -179.8 | -82.3 | 0 | 0 | 0 | 111.9 | L55 G56 E62 E63 | L55-H59 PolarHBondContact O-N 2.91Å; G56-H59 PolarHBondContact O-N 2.93Å; H59-E62 PolarHBondContact O-N 3.1Å; H59-E63 IonicContact CE1-OE2 2.65Å; H59-E63 WeakPolarHBondContact O-CB 3.49Å; H59-E63 PolarHBondContact O-N 3.26Å |
| 60 | E | 91.1 | Very high | 83.6 | Confident | 124 Ų | 124 | 114.9 Ų | 114.9 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 174.9 | -73.7 | 174.1 | -168 | 0 | 0 | 112.1 | G56 L57 K58 E63 A64 | G56-E60 WeakPolarHBondContact O-CG 3.47Å; G56-E60 PolarHBondContact O-N 2.86Å; L57-E60 PolarHBondContact O-N 3.45Å; K58-E60 VanDerWaalsContact C-N 3.34Å; K58-E60 PolarHBondContact O-N 2.97Å; E60-E63 PolarHBondContact O-N 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.4Å; E60-A64 PolarHBondContact O-N 3.14Å |
| 61 | L | 93.3 | Very high | 85.7 | Confident | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 175.7 | -177.6 | 65.6 | 0 | 0 | 0 | 111.3 | L57 K58 E63 A64 E65 | L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 PolarHBondContact O-N 3.2Å; K58-L61 PolarHBondContact O-N 2.94Å; L61-E63 VanDerWaalsContact C-N 3.26Å; L61-E63 PolarHBondContact O-N 3.13Å; L61-A64 WeakPolarHBondContact O-CB 3.1Å; L61-A64 PolarHBondContact O-N 3.06Å; L61-A64 VanDerWaalsContact O-N 3.14Å; L61-E65 WeakPolarHBondContact O-CG 3.22Å; L61-E65 PolarHBondContact O-N 3.16Å |
| 62 | E | 93.9 | Very high | 87.9 | Confident | 92 Ų | 92 | 113.3 Ų | 113.3 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -35.6 | 177.3 | -70.8 | 175.4 | -166.9 | 0 | 0 | 111.9 | K58 H59 R66 | K58-E62 WeakPolarHBondContact O-CG 3.46Å; K58-E62 PolarHBondContact O-N 3.12Å; H59-E62 PolarHBondContact O-N 3.1Å; E62-R66 WeakPolarHBondContact O-CB 3.46Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 3.5Å; E62-R66 PolarHBondContact O-NE 3.02Å; E62-R66 IonicContact OE2-NH1 3.37Å |
| 63 | E | 94.7 | Very high | 90 | Very high | 68 Ų | 68 | 111 Ų | 111 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 175.1 | -168.3 | 179.9 | 172.9 | 0 | 0 | 111.9 | H59 E60 L61 R67 | H59-E63 IonicContact CE1-OE2 2.65Å; H59-E63 WeakPolarHBondContact O-CB 3.49Å; H59-E63 PolarHBondContact O-N 3.26Å; E60-E63 PolarHBondContact O-N 3.32Å; L61-E63 VanDerWaalsContact C-N 3.26Å; L61-E63 PolarHBondContact O-N 3.13Å; E63-R67 WeakPolarHBondContact O-CB 3.47Å; E63-R67 VanDerWaalsContact O-CG 3.22Å; E63-R67 WeakPolarHBondContact O-CG 3.43Å; E63-R67 PolarHBondContact O-N 3.24Å; E63-R67 IonicContact OE1-CZ 2.72Å; E63-R67 IonicContact OE1-NE 2.75Å; E63-R67 PolarHBondContact OE1-NE 2.91Å; E63-R67 IonicContact OE1-NH2 3.77Å; E63-R67 PolarHBondContact OE1-NH2 3.49Å |
| 64 | A | 95.4 | Very high | 92 | Very high | 34 Ų | 34 | 105.8 Ų | 105.8 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E60 L61 R67 Y68 | E60-A64 WeakPolarHBondContact O-CB 3.4Å; E60-A64 PolarHBondContact O-N 3.14Å; L61-A64 WeakPolarHBondContact O-CB 3.1Å; L61-A64 PolarHBondContact O-N 3.06Å; L61-A64 VanDerWaalsContact O-N 3.14Å; A64-R67 WeakPolarHBondContact O-CB 3.39Å; A64-R67 PolarHBondContact O-N 2.85Å; A64-R67 VanDerWaalsContact O-N 3.16Å; A64-Y68 HydrophobicContact CB-CD2 4.5Å; A64-Y68 HydrophobicContact CB-CE2 4.39Å; A64-Y68 WeakPolarHBondContact O-CD2 3.32Å; A64-Y68 PolarHBondContact O-N 2.9Å |
| 65 | E | 96.6 | Very high | 93.5 | Very high | 100 Ų | 100 | 107.8 Ų | 107.8 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.6 | -51.7 | 175.4 | -74.4 | 174.6 | 170.9 | 0 | 0 | 111 | L61 R67 Y68 E69 | L61-E65 WeakPolarHBondContact O-CG 3.22Å; L61-E65 PolarHBondContact O-N 3.16Å; E65-R67 VanDerWaalsContact C-N 3.27Å; E65-R67 PolarHBondContact O-N 3.14Å; E65-Y68 PolarHBondContact O-N 3.27Å; E65-Y68 VanDerWaalsContact O-N 3.13Å; E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 3.09Å |
| 66 | R | 97 | Very high | 94.5 | Very high | 119 Ų | 119 | 107 Ų | 107 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.6 | -37.8 | 176.2 | -73.8 | -174.9 | -63.8 | -98.3 | 2.4 | 112.9 | E62 K70 | E62-R66 WeakPolarHBondContact O-CB 3.46Å; E62-R66 VanDerWaalsContact O-CG 3.28Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 3.5Å; E62-R66 PolarHBondContact O-NE 3.02Å; E62-R66 IonicContact OE2-NH1 3.37Å; R66-K70 WeakPolarHBondContact O-CB 3.44Å; R66-K70 PolarHBondContact O-N 3.28Å |
| 67 | R | 97.3 | Very high | 95.4 | Very high | 159 Ų | 159 | 111.6 Ų | 111.6 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -43.9 | 177.1 | -73.9 | 170.5 | -175.4 | -170.4 | 4.7 | 111.5 | E63 A64 E65 K70 L71 | E63-R67 WeakPolarHBondContact O-CB 3.47Å; E63-R67 VanDerWaalsContact O-CG 3.22Å; E63-R67 WeakPolarHBondContact O-CG 3.43Å; E63-R67 PolarHBondContact O-N 3.24Å; E63-R67 IonicContact OE1-CZ 2.72Å; E63-R67 IonicContact OE1-NE 2.75Å; E63-R67 PolarHBondContact OE1-NE 2.91Å; E63-R67 IonicContact OE1-NH2 3.77Å; E63-R67 PolarHBondContact OE1-NH2 3.49Å; A64-R67 WeakPolarHBondContact O-CB 3.39Å; A64-R67 PolarHBondContact O-N 2.85Å; A64-R67 VanDerWaalsContact O-N 3.16Å; E65-R67 VanDerWaalsContact C-N 3.27Å; E65-R67 PolarHBondContact O-N 3.14Å; R67-K70 PolarHBondContact O-N 3.34Å; R67-L71 PolarHBondContact O-N 3.02Å |
| 68 | Y | 97.7 | Very high | 95.9 | Very high | 170 Ų | 170 | 112.8 Ų | 112.8 | 67% | 0.667 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.7 | -39.8 | 179.5 | -74.8 | -59.7 | 0 | 0 | 0 | 112.6 | A64 E65 K70 L71 L72 | A64-Y68 HydrophobicContact CB-CD2 4.5Å; A64-Y68 HydrophobicContact CB-CE2 4.39Å; A64-Y68 WeakPolarHBondContact O-CD2 3.32Å; A64-Y68 PolarHBondContact O-N 2.9Å; E65-Y68 PolarHBondContact O-N 3.27Å; E65-Y68 VanDerWaalsContact O-N 3.13Å; Y68-K70 VanDerWaalsContact C-N 3.32Å; Y68-K70 PolarHBondContact O-N 2.85Å; Y68-L71 PolarHBondContact O-N 3.43Å; Y68-L71 VanDerWaalsContact O-N 3.16Å; Y68-L72 WeakPolarHBondContact O-CB 3.28Å; Y68-L72 PolarHBondContact O-N 3.43Å |
| 69 | E | 97.9 | Very high | 96.4 | Very high | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.1 | -46 | 172.7 | -75.1 | 178 | 174.9 | 0 | 0 | 111.4 | E65 L71 L72 Q73 | E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 3.09Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.16Å; E69-L72 PolarHBondContact O-N 3.19Å; E69-Q73 WeakPolarHBondContact O-CG 3.36Å; E69-Q73 PolarHBondContact O-N 2.94Å |
| 70 | K | 97.7 | Very high | 96.8 | Very high | 153 Ų | 153 | 112.9 Ų | 112.9 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 176.4 | -176.2 | 176.6 | -179.5 | 178.8 | 0 | 112.3 | R66 R67 Y68 L74 | R66-K70 WeakPolarHBondContact O-CB 3.44Å; R66-K70 PolarHBondContact O-N 3.28Å; R67-K70 PolarHBondContact O-N 3.34Å; Y68-K70 VanDerWaalsContact C-N 3.32Å; Y68-K70 PolarHBondContact O-N 2.85Å; K70-L74 PolarHBondContact O-N 3.3Å; K70-L74 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 97.9 | Very high | 97.1 | Very high | 105 Ų | 105 | 111.8 Ų | 111.8 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.2 | -177.8 | 61.4 | 0 | 0 | 0 | 111.4 | R67 Y68 E69 L74 L75 | R67-L71 PolarHBondContact O-N 3.02Å; Y68-L71 PolarHBondContact O-N 3.43Å; Y68-L71 VanDerWaalsContact O-N 3.16Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.14Å; L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 PolarHBondContact O-N 2.85Å |
| 72 | L | 98.2 | Very high | 97.4 | Very high | 96 Ų | 96 | 111.5 Ų | 111.5 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 177.6 | -171.8 | 65.4 | 0 | 0 | 0 | 111 | Y68 E69 L74 L75 E76 | Y68-L72 WeakPolarHBondContact O-CB 3.28Å; Y68-L72 PolarHBondContact O-N 3.43Å; E69-L72 PolarHBondContact O-N 3.19Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 2.97Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.14Å; L72-L75 VanDerWaalsContact O-N 3.09Å; L72-E76 WeakPolarHBondContact O-CB 3.38Å; L72-E76 WeakPolarHBondContact O-CG 3.37Å; L72-E76 PolarHBondContact O-N 2.87Å |
| 73 | Q | 97.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 113.8 Ų | 113.8 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -39.9 | 175.2 | -72.2 | 175.3 | 2.1 | 0 | 0 | 112.6 | E69 K77 | E69-Q73 WeakPolarHBondContact O-CG 3.36Å; E69-Q73 PolarHBondContact O-N 2.94Å; Q73-K77 WeakPolarHBondContact O-CB 3.45Å; Q73-K77 PolarHBondContact O-N 3Å |
| 74 | L | 97.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 114.1 Ų | 114.1 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -40 | 176.6 | -176.7 | 147.6 | 0 | 0 | 0 | 111.7 | K70 L71 L72 R78 | K70-L74 PolarHBondContact O-N 3.3Å; K70-L74 VanDerWaalsContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 3.14Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 PolarHBondContact O-N 2.97Å; L74-R78 WeakPolarHBondContact O-CB 3.5Å; L74-R78 PolarHBondContact O-N 3.03Å |
| 75 | L | 98.4 | Very high | 97.8 | Very high | 98 Ų | 98 | 118.3 Ų | 118.3 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 177.5 | -177.5 | 63.1 | 0 | 0 | 0 | 111.3 | L71 L72 R78 N79 | L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 PolarHBondContact O-N 2.85Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.14Å; L72-L75 VanDerWaalsContact O-N 3.09Å; L75-R78 PolarHBondContact O-N 3.38Å; L75-N79 WeakPolarHBondContact O-CB 3.47Å; L75-N79 PolarHBondContact O-N 2.83Å |
| 76 | E | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 116.4 Ų | 116.4 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 175.7 | -73.7 | 173.2 | 167.6 | 0 | 0 | 111 | L72 R78 N79 E80 | L72-E76 WeakPolarHBondContact O-CB 3.38Å; L72-E76 WeakPolarHBondContact O-CG 3.37Å; L72-E76 PolarHBondContact O-N 2.87Å; E76-R78 VanDerWaalsContact C-N 3.33Å; E76-R78 PolarHBondContact O-N 3.28Å; E76-N79 PolarHBondContact O-N 3.31Å; E76-N79 VanDerWaalsContact O-N 3.14Å; E76-E80 PolarHBondContact O-N 2.97Å |
| 77 | K | 98 | Very high | 97.9 | Very high | 130 Ų | 130 | 112.6 Ų | 112.6 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | 176.7 | -176.2 | 178.5 | -178.8 | 177.7 | 0 | 112.4 | Q73 N79 Q81 | Q73-K77 WeakPolarHBondContact O-CB 3.45Å; Q73-K77 PolarHBondContact O-N 3Å; K77-N79 VanDerWaalsContact C-N 3.35Å; K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.48Å; K77-Q81 PolarHBondContact O-N 3.34Å; K77-Q81 VanDerWaalsContact O-N 3.07Å |
| 78 | R | 98.1 | Very high | 98 | Very high | 141 Ų | 141 | 110 Ų | 110 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.1 | -177.1 | -173.5 | -66.5 | 171.5 | -1.4 | 111.1 | L74 L75 E76 Q81 L82 | L74-R78 WeakPolarHBondContact O-CB 3.5Å; L74-R78 PolarHBondContact O-N 3.03Å; L75-R78 PolarHBondContact O-N 3.38Å; E76-R78 VanDerWaalsContact C-N 3.33Å; E76-R78 PolarHBondContact O-N 3.28Å; R78-Q81 PolarHBondContact O-N 3.07Å; R78-L82 HydrophobicContact CG-CD1 4.25Å; R78-L82 WeakPolarHBondContact O-CG 3.35Å; R78-L82 PolarHBondContact O-N 3.02Å |
| 79 | N | 98.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 106.1 Ų | 106.1 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 179.7 | -165.9 | 10.1 | 0 | 0 | 0 | 111.2 | L75 E76 K77 Q81 L82 F83 | L75-N79 WeakPolarHBondContact O-CB 3.47Å; L75-N79 PolarHBondContact O-N 2.83Å; E76-N79 PolarHBondContact O-N 3.31Å; E76-N79 VanDerWaalsContact O-N 3.14Å; K77-N79 VanDerWaalsContact C-N 3.35Å; N79-Q81 VanDerWaalsContact C-N 3.34Å; N79-Q81 PolarHBondContact O-N 3.27Å; N79-L82 PolarHBondContact O-N 3.43Å; N79-F83 WeakPolarHBondContact O-CB 3.37Å; N79-F83 PolarHBondContact O-N 3.3Å |
| 80 | E | 98.2 | Very high | 97.9 | Very high | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.2 | -44.1 | 173.8 | -172.4 | -176 | 178.4 | 0 | 0 | 111.7 | E76 F83 N84 | E76-E80 PolarHBondContact O-N 2.97Å; E80-F83 PolarHBondContact O-N 3.46Å; E80-N84 WeakPolarHBondContact O-CB 3.37Å; E80-N84 PolarHBondContact O-N 3.45Å; E80-N84 PolarHBondContact O-ND2 2.94Å |
| 81 | Q | 97.7 | Very high | 97.9 | Very high | 101 Ų | 101 | 104.6 Ų | 104.6 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.4 | -73.7 | 175.6 | -24.9 | 0 | 0 | 112.2 | K77 R78 N79 F83 N84 E85 | K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.48Å; K77-Q81 PolarHBondContact O-N 3.34Å; K77-Q81 VanDerWaalsContact O-N 3.07Å; R78-Q81 PolarHBondContact O-N 3.07Å; N79-Q81 VanDerWaalsContact C-N 3.34Å; N79-Q81 PolarHBondContact O-N 3.27Å; Q81-F83 VanDerWaalsContact C-N 3.32Å; Q81-F83 PolarHBondContact O-N 2.94Å; Q81-N84 PolarHBondContact O-N 3.24Å; Q81-E85 WeakPolarHBondContact O-CG 3.33Å; Q81-E85 PolarHBondContact O-N 2.97Å |
| 82 | L | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 105.6 Ų | 105.6 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178.5 | -70.7 | 172.6 | 0 | 0 | 0 | 112.2 | R78 N79 A86 | R78-L82 HydrophobicContact CG-CD1 4.25Å; R78-L82 WeakPolarHBondContact O-CG 3.35Å; R78-L82 PolarHBondContact O-N 3.02Å; N79-L82 PolarHBondContact O-N 3.43Å; L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.72Å |
| 83 | F | 98.2 | Very high | 97.6 | Very high | 139 Ų | 139 | 103.5 Ų | 103.5 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -46.3 | 175.7 | 178.9 | -95.9 | 0 | 0 | 0 | 111.4 | N79 E80 Q81 A86 A87 | N79-F83 WeakPolarHBondContact O-CB 3.37Å; N79-F83 PolarHBondContact O-N 3.3Å; E80-F83 PolarHBondContact O-N 3.46Å; Q81-F83 VanDerWaalsContact C-N 3.32Å; Q81-F83 PolarHBondContact O-N 2.94Å; F83-A86 PolarHBondContact O-N 3.44Å; F83-A87 WeakPolarHBondContact O-CB 3.23Å; F83-A87 PolarHBondContact O-N 3.3Å |
| 84 | N | 98 | Very high | 97.4 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178.4 | -70 | -24 | 0 | 0 | 0 | 111.6 | E80 Q81 A86 A87 E88 | E80-N84 WeakPolarHBondContact O-CB 3.37Å; E80-N84 PolarHBondContact O-N 3.45Å; E80-N84 PolarHBondContact O-ND2 2.94Å; Q81-N84 PolarHBondContact O-N 3.24Å; N84-A86 VanDerWaalsContact C-N 3.35Å; N84-A86 PolarHBondContact O-N 3.36Å; N84-A87 PolarHBondContact O-N 2.89Å; N84-E88 WeakPolarHBondContact O-CB 3.46Å; N84-E88 WeakPolarHBondContact O-CG 3.38Å; N84-E88 PolarHBondContact O-N 3.13Å |
| 85 | E | 97.8 | Very high | 97.2 | Very high | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.5 | -44.1 | 175.2 | -73.1 | 173.6 | -170.7 | 0 | 0 | 112 | Q81 E88 E89 | Q81-E85 WeakPolarHBondContact O-CG 3.33Å; Q81-E85 PolarHBondContact O-N 2.97Å; E85-E88 PolarHBondContact O-N 3.31Å; E85-E89 WeakPolarHBondContact O-CB 3.45Å; E85-E89 PolarHBondContact O-N 2.88Å |
| 86 | A | 97.8 | Very high | 96.9 | Very high | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L82 F83 N84 E89 Y90 | L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.72Å; F83-A86 PolarHBondContact O-N 3.44Å; N84-A86 VanDerWaalsContact C-N 3.35Å; N84-A86 PolarHBondContact O-N 3.36Å; A86-E89 PolarHBondContact O-N 3.45Å; A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 PolarHBondContact O-N 2.76Å |
| 87 | A | 97.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 101.5 Ų | 101.5 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F83 N84 Y90 T91 | F83-A87 WeakPolarHBondContact O-CB 3.23Å; F83-A87 PolarHBondContact O-N 3.3Å; N84-A87 PolarHBondContact O-N 2.89Å; A87-Y90 PolarHBondContact O-N 3.45Å; A87-T91 PolarHBondContact O-N 2.9Å; A87-T91 PolarHBondContact O-OG1 2.89Å; A87-T91 VanDerWaalsContact O-OG1 3.13Å |
| 88 | E | 97.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 100.4 Ų | 100.4 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 174.2 | -75.7 | -175.8 | -163.1 | 0 | 0 | 111.8 | N84 E85 Y90 T91 R92 | N84-E88 WeakPolarHBondContact O-CB 3.46Å; N84-E88 WeakPolarHBondContact O-CG 3.38Å; N84-E88 PolarHBondContact O-N 3.13Å; E85-E88 PolarHBondContact O-N 3.31Å; E88-Y90 VanDerWaalsContact C-N 3.31Å; E88-Y90 PolarHBondContact O-N 3.01Å; E88-T91 PolarHBondContact O-N 3.45Å; E88-R92 WeakPolarHBondContact O-CB 3.34Å; E88-R92 VanDerWaalsContact O-CG 3.23Å; E88-R92 WeakPolarHBondContact O-CG 3.25Å; E88-R92 PolarHBondContact O-N 3.3Å; E88-R92 IonicContact OE2-CZ 3.98Å; E88-R92 IonicContact OE2-NH2 3.56Å; E88-R92 PolarHBondContact OE2-NH2 3.49Å |
| 89 | E | 97.2 | Very high | 95.4 | Very high | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 179.4 | -172.9 | 60 | -164.3 | 0 | 0 | 111.9 | E85 A86 R92 T93 | E85-E89 WeakPolarHBondContact O-CB 3.45Å; E85-E89 PolarHBondContact O-N 2.88Å; A86-E89 PolarHBondContact O-N 3.45Å; E89-R92 IonicContact OE2-NH1 3.39Å; E89-T93 VanDerWaalsContact O-CB 3.25Å; E89-T93 WeakPolarHBondContact O-CB 3.5Å; E89-T93 PolarHBondContact O-N 3.33Å; E89-T93 PolarHBondContact O-OG1 3.35Å |
| 90 | Y | 97.5 | Very high | 94.6 | Very high | 165 Ų | 165 | 99.1 Ų | 99.1 | 65% | 0.647 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.2 | -53.2 | 172.5 | 179 | -94.3 | 0 | 0 | 0 | 111 | A86 A87 E88 R92 T93 V94 | A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 PolarHBondContact O-N 2.76Å; A87-Y90 PolarHBondContact O-N 3.45Å; E88-Y90 VanDerWaalsContact C-N 3.31Å; E88-Y90 PolarHBondContact O-N 3.01Å; Y90-R92 PolarHBondContact O-N 2.86Å; Y90-T93 WeakPolarHBondContact O-CB 3.36Å; Y90-T93 PolarHBondContact O-N 3.13Å; Y90-T93 VanDerWaalsContact O-N 3.11Å; Y90-V94 HydrophobicContact CD1-CG2 4.09Å; Y90-V94 HydrophobicContact CE1-CG2 3.65Å; Y90-V94 HydrophobicContact CE2-CG2 4.13Å; Y90-V94 HydrophobicContact CG-CG2 4.5Å; Y90-V94 WeakPolarHBondContact O-CG2 3.49Å; Y90-V94 PolarHBondContact O-N 3.34Å |
| 91 | T | 96.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 95.7 Ų | 95.7 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 178.6 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | A87 E88 T93 V94 E95 | A87-T91 PolarHBondContact O-N 2.9Å; A87-T91 PolarHBondContact O-OG1 2.89Å; A87-T91 VanDerWaalsContact O-OG1 3.13Å; E88-T91 PolarHBondContact O-N 3.45Å; T91-T93 PolarHBondContact O-N 2.89Å; T91-V94 PolarHBondContact O-N 3.11Å; T91-E95 HydrophobicContact CG2-CG 4.44Å; T91-E95 WeakPolarHBondContact O-CB 3.47Å; T91-E95 WeakPolarHBondContact O-CG 3.2Å; T91-E95 PolarHBondContact O-N 2.91Å |
| 92 | R | 96.5 | Very high | 92.7 | Very high | 126 Ų | 126 | 97.8 Ų | 97.8 | 48% | 0.475 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 177.1 | -69.7 | 173.9 | -157.8 | 168.8 | 3.2 | 112.1 | E88 E89 Y90 R96 | E88-R92 WeakPolarHBondContact O-CB 3.34Å; E88-R92 VanDerWaalsContact O-CG 3.23Å; E88-R92 WeakPolarHBondContact O-CG 3.25Å; E88-R92 PolarHBondContact O-N 3.3Å; E88-R92 IonicContact OE2-CZ 3.98Å; E88-R92 IonicContact OE2-NH2 3.56Å; E88-R92 PolarHBondContact OE2-NH2 3.49Å; E89-R92 IonicContact OE2-NH1 3.39Å; Y90-R92 PolarHBondContact O-N 2.86Å; R92-R96 VanDerWaalsContact O-CB 3.27Å; R92-R96 WeakPolarHBondContact O-CB 3.39Å; R92-R96 PolarHBondContact O-N 3.05Å |
| 93 | T | 94.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 101.2 Ų | 101.2 | 33% | 0.325 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 111 | E89 Y90 T91 R96 L97 | E89-T93 VanDerWaalsContact O-CB 3.25Å; E89-T93 WeakPolarHBondContact O-CB 3.5Å; E89-T93 PolarHBondContact O-N 3.33Å; E89-T93 PolarHBondContact O-OG1 3.35Å; Y90-T93 WeakPolarHBondContact O-CB 3.36Å; Y90-T93 PolarHBondContact O-N 3.13Å; Y90-T93 VanDerWaalsContact O-N 3.11Å; T91-T93 PolarHBondContact O-N 2.89Å; T93-R96 WeakPolarHBondContact O-CB 3.5Å; T93-R96 PolarHBondContact O-N 2.85Å; T93-L97 HydrophobicContact CG2-CD1 4.06Å; T93-L97 HydrophobicContact CG2-CG 4.42Å; T93-L97 VanDerWaalsContact O-CG 3.27Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.89Å |
| 94 | V | 93.6 | Very high | 89.7 | Confident | 44 Ų | 44 | 100.3 Ų | 100.3 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.4 | -51.5 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | Y90 T91 R96 L97 E98 | Y90-V94 HydrophobicContact CD1-CG2 4.09Å; Y90-V94 HydrophobicContact CE1-CG2 3.65Å; Y90-V94 HydrophobicContact CE2-CG2 4.13Å; Y90-V94 HydrophobicContact CG-CG2 4.5Å; Y90-V94 WeakPolarHBondContact O-CG2 3.49Å; Y90-V94 PolarHBondContact O-N 3.34Å; T91-V94 PolarHBondContact O-N 3.11Å; V94-R96 VanDerWaalsContact C-N 3.27Å; V94-R96 PolarHBondContact O-N 2.91Å; V94-L97 PolarHBondContact O-N 3.24Å; V94-L97 VanDerWaalsContact O-N 3.07Å; V94-E98 HydrophobicContact CG1-CG 4.22Å; V94-E98 WeakPolarHBondContact O-CB 3.06Å; V94-E98 WeakPolarHBondContact O-CG 3.35Å; V94-E98 PolarHBondContact O-N 3.03Å |
| 95 | E | 93.2 | Very high | 88 | Confident | 104 Ų | 104 | 101.4 Ų | 101.4 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -39.7 | 177.9 | -73.7 | 179.9 | 174.2 | 0 | 0 | 112.2 | T91 N99 | T91-E95 HydrophobicContact CG2-CG 4.44Å; T91-E95 WeakPolarHBondContact O-CB 3.47Å; T91-E95 WeakPolarHBondContact O-CG 3.2Å; T91-E95 PolarHBondContact O-N 2.91Å; E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.24Å; E95-N99 PolarHBondContact O-ND2 3.26Å |
| 96 | R | 91.5 | Very high | 86.2 | Confident | 157 Ų | 157 | 101.9 Ų | 101.9 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 176.7 | -171.1 | -169.8 | -50 | -165.8 | 8.4 | 111.6 | R92 T93 V94 K100 | R92-R96 VanDerWaalsContact O-CB 3.27Å; R92-R96 WeakPolarHBondContact O-CB 3.39Å; R92-R96 PolarHBondContact O-N 3.05Å; T93-R96 WeakPolarHBondContact O-CB 3.5Å; T93-R96 PolarHBondContact O-N 2.85Å; V94-R96 VanDerWaalsContact C-N 3.27Å; V94-R96 PolarHBondContact O-N 2.91Å; R96-K100 VanDerWaalsContact O-CB 3.29Å; R96-K100 WeakPolarHBondContact O-CB 3.32Å; R96-K100 PolarHBondContact O-N 3.43Å |
| 97 | L | 89 | Confident | 84.6 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 179.5 | -68.4 | 174.7 | 0 | 0 | 0 | 111.3 | T93 V94 N99 K100 Y101 | T93-L97 HydrophobicContact CG2-CD1 4.06Å; T93-L97 HydrophobicContact CG2-CG 4.42Å; T93-L97 VanDerWaalsContact O-CG 3.27Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.89Å; V94-L97 PolarHBondContact O-N 3.24Å; V94-L97 VanDerWaalsContact O-N 3.07Å; L97-N99 VanDerWaalsContact C-N 3.35Å; L97-N99 PolarHBondContact O-N 2.94Å; L97-K100 PolarHBondContact O-N 3.07Å; L97-Y101 HydrophobicContact CB-CD2 4.39Å; L97-Y101 HydrophobicContact CD2-CD2 4.09Å; L97-Y101 HydrophobicContact CD2-CE2 3.65Å; L97-Y101 WeakPolarHBondContact O-CB 3.29Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.27Å; L97-Y101 PolarHBondContact O-N 2.83Å |
| 98 | E | 87.2 | Confident | 83.6 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | I | π-helix | trans | -59.6 | -46.4 | 174.1 | -72.5 | -177.9 | 163.3 | 0 | 0 | 110.9 | V94 K100 M102 R103 | V94-E98 HydrophobicContact CG1-CG 4.22Å; V94-E98 WeakPolarHBondContact O-CB 3.06Å; V94-E98 WeakPolarHBondContact O-CG 3.35Å; V94-E98 PolarHBondContact O-N 3.03Å; E98-K100 VanDerWaalsContact C-N 3.26Å; E98-K100 PolarHBondContact O-N 3.02Å; E98-M102 HydrophobicContact CB-CB 4.41Å; E98-M102 CarbonylContact O-C 3.45Å; E98-M102 VanDerWaalsContact O-CA 3.28Å; E98-M102 WeakPolarHBondContact O-CA 3.41Å; E98-M102 VanDerWaalsContact O-CB 3.3Å; E98-M102 WeakPolarHBondContact O-CB 3.5Å; E98-M102 PolarHBondContact O-N 2.86Å; E98-R103 PolarHBondContact O-N 3.28Å; E98-R103 VanDerWaalsContact O-N 3.09Å |
| 99 | N | 86 | Confident | 83.1 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -61.4 | -34.6 | 176.6 | -83.1 | -55.8 | 0 | 0 | 0 | 113 | E95 L97 R103 | E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.24Å; E95-N99 PolarHBondContact O-ND2 3.26Å; L97-N99 VanDerWaalsContact C-N 3.35Å; L97-N99 PolarHBondContact O-N 2.94Å; N99-R103 WeakPolarHBondContact O-CB 3.37Å; N99-R103 WeakPolarHBondContact O-CD 3.24Å; N99-R103 VanDerWaalsContact O-CG 3.24Å; N99-R103 WeakPolarHBondContact O-CG 3.18Å; N99-R103 PolarHBondContact OD1-NE 3.06Å; N99-R103 PolarHBondContact OD1-NH2 3.21Å |
| 100 | K | 82.7 | Confident | 82.8 | Confident | 145 Ų | 145 | 95.5 Ų | 95.5 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -81.3 | -38.3 | -177.3 | -172.9 | 176.3 | 178.9 | -165.8 | 0 | 113.2 | R96 L97 E98 | R96-K100 VanDerWaalsContact O-CB 3.29Å; R96-K100 WeakPolarHBondContact O-CB 3.32Å; R96-K100 PolarHBondContact O-N 3.43Å; L97-K100 PolarHBondContact O-N 3.07Å; E98-K100 VanDerWaalsContact C-N 3.26Å; E98-K100 PolarHBondContact O-N 3.02Å |
| 101 | Y | 78.2 | Confident | 82.5 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 21% | 0.208 | 48% | 0.481 | C | S | . | . | I | π-helix | trans | -115.7 | -27.3 | -168.9 | -59.1 | -65.6 | 0 | 0 | 0 | 114.1 | L97 K152 A156 | L97-Y101 HydrophobicContact CB-CD2 4.39Å; L97-Y101 HydrophobicContact CD2-CD2 4.09Å; L97-Y101 HydrophobicContact CD2-CE2 3.65Å; L97-Y101 WeakPolarHBondContact O-CB 3.29Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.27Å; L97-Y101 PolarHBondContact O-N 2.83Å; Y101-K152 HydrophobicContact CE1-CB 4.35Å; Y101-A156 WeakPolarHBondContact OH-CB 3.39Å |
| 102 | M | 77.5 | Confident | 82.3 | Confident | 145 Ų | 145 | 89.8 Ų | 89.8 | 71% | 0.714 | 49% | 0.49 | S | S | * | . | I | π-helix | trans | -103.5 | -9.5 | -176.2 | -59.1 | -63.1 | -172 | 0 | 0 | 113.6 | E98 P104 | E98-M102 HydrophobicContact CB-CB 4.41Å; E98-M102 CarbonylContact O-C 3.45Å; E98-M102 VanDerWaalsContact O-CA 3.28Å; E98-M102 WeakPolarHBondContact O-CA 3.41Å; E98-M102 VanDerWaalsContact O-CB 3.3Å; E98-M102 WeakPolarHBondContact O-CB 3.5Å; E98-M102 PolarHBondContact O-N 2.86Å; M102-P104 VanDerWaalsContact O-CD 3.22Å; M102-P104 WeakPolarHBondContact O-CD 3.44Å |
| 103 | R | 70 | Confident | 82.2 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 64% | 0.638 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 117.9 | 177.3 | -99.2 | -176.1 | -168.8 | -154.3 | 1.8 | 109.8 | E98 N99 T105 | E98-R103 PolarHBondContact O-N 3.28Å; E98-R103 VanDerWaalsContact O-N 3.09Å; N99-R103 WeakPolarHBondContact O-CB 3.37Å; N99-R103 WeakPolarHBondContact O-CD 3.24Å; N99-R103 VanDerWaalsContact O-CG 3.24Å; N99-R103 WeakPolarHBondContact O-CG 3.18Å; N99-R103 PolarHBondContact OD1-NE 3.06Å; N99-R103 PolarHBondContact OD1-NH2 3.21Å; R103-T105 PolarHBondContact O-N 3.47Å |
| 104 | P | 62.9 | Low | 82.2 | Confident | 119 Ų | 119 | 85.5 Ų | 85.5 | 77% | 0.773 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 117 | 175.4 | -21.4 | 32.4 | 0 | 0 | 0 | 107.8 | M102 | M102-P104 VanDerWaalsContact O-CD 3.22Å; M102-P104 WeakPolarHBondContact O-CD 3.44Å |
| 105 | T | 63.3 | Low | 82.2 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 129.3 | 167.4 | -48.5 | 0 | 0 | 0 | 0 | 105.7 | R103 G107 G108 | R103-T105 PolarHBondContact O-N 3.47Å; T105-G107 PolarHBondContact O-N 3.41Å; T105-G108 PolarHBondContact O-N 2.97Å |
| 106 | P | 59 | Low | 82.4 | Confident | 132 Ų | 132 | 88 Ų | 88 | 86% | 0.857 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 114.8 | 178.1 | -23.9 | 32.4 | 0 | 0 | 0 | 109.4 | ||
| 107 | G | 65.4 | Low | 82.6 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 55% | 0.546 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | -7.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | T105 A111 | T105-G107 PolarHBondContact O-N 3.41Å; G107-A111 WeakPolarHBondContact O-CB 3.31Å |
| 108 | G | 76.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | trans | 71.4 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T105 | T105-G108 PolarHBondContact O-N 2.97Š| ||
| 109 | C | 85.7 | Confident | 83.4 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 133.1 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | A111 F145 | C109-A111 VanDerWaalsContact C-N 3.29Å; C109-A111 PolarHBondContact O-N 3.01Å; C109-F145 HydrophobicContact CB-CD1 4.07Å; C109-F145 HydrophobicContact CB-CD2 4.15Å; C109-F145 HydrophobicContact CB-CE1 4.09Å; C109-F145 HydrophobicContact CB-CE2 4.15Å; C109-F145 HydrophobicContact CB-CG 4.1Å; C109-F145 HydrophobicContact CB-CZ 4.13Å; C109-F145 WeakPolarHBondContact SG-CB 3.3Å; C109-F145 VanDerWaalsContact SG-CD1 3.53Å; C109-F145 WeakPolarHBondContact SG-CD2 3.04Å; C109-F145 WeakPolarHBondContact SG-CG 3.28Å |
| 110 | C | 92 | Very high | 84 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 12% | 0.122 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 23.7 | 173.9 | -54.1 | 0 | 0 | 0 | 0 | 116 | A112 A113 E114 Y138 C141 V142 | C110-A112 VanDerWaalsContact C-N 3.26Å; C110-A112 PolarHBondContact O-N 3.06Å; C110-A112 VanDerWaalsContact O-N 3.08Å; C110-A113 HydrophobicContact CB-CB 4.4Å; C110-A113 WeakPolarHBondContact O-CA 3.39Å; C110-A113 WeakPolarHBondContact O-CB 3.31Å; C110-A113 PolarHBondContact O-N 2.91Å; C110-E114 PolarHBondContact O-N 2.86Å; C110-Y138 HydrophobicContact CB-CD2 4.04Å; C110-Y138 HydrophobicContact CB-CE2 4Å; C110-C141 HydrophobicContact CB-CB 3.83Å; C110-C141 WeakPolarHBondContact CB-SG 3.49Å; C110-C141 WeakPolarHBondContact SG-CB 3.49Å; C110-C141 CovalentContact SG-SG 2.02Å; C110-C141 PolarHBondContact SG-SG 3.09Å; C110-V142 PolarHBondContact SG-N 3.22Å; C110-V142 VanDerWaalsContact SG-N 3.44Å |
| 111 | A | 91.8 | Very high | 84.7 | Confident | 41 Ų | 41 | 73.5 Ų | 73.5 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -42.9 | -46.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G107 C109 A113 E114 Q115 | G107-A111 WeakPolarHBondContact O-CB 3.31Å; C109-A111 VanDerWaalsContact C-N 3.29Å; C109-A111 PolarHBondContact O-N 3.01Å; A111-A113 PolarHBondContact O-N 2.86Å; A111-E114 PolarHBondContact O-N 3.29Å; A111-Q115 WeakPolarHBondContact O-CB 3.49Å; A111-Q115 PolarHBondContact O-N 3.33Å |
| 112 | A | 91.6 | Very high | 85.6 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.5 | -29 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | C110 R116 | C110-A112 VanDerWaalsContact C-N 3.26Å; C110-A112 PolarHBondContact O-N 3.06Å; C110-A112 VanDerWaalsContact O-N 3.08Å; A112-R116 WeakPolarHBondContact O-CG 3.44Å; A112-R116 PolarHBondContact O-N 3.08Å; A112-R116 PolarHBondContact O-NE 3.46Å |
| 113 | A | 93.8 | Very high | 86.5 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 8% | 0.083 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -78.2 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C110 A111 R116 V117 Y138 | C110-A113 HydrophobicContact CB-CB 4.4Å; C110-A113 WeakPolarHBondContact O-CA 3.39Å; C110-A113 WeakPolarHBondContact O-CB 3.31Å; C110-A113 PolarHBondContact O-N 2.91Å; A111-A113 PolarHBondContact O-N 2.86Å; A113-R116 PolarHBondContact O-N 2.85Å; A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.81Å; A113-V117 VanDerWaalsContact O-N 3.09Å; A113-Y138 HydrophobicContact CB-CD2 4.11Å |
| 114 | E | 94.4 | Very high | 87.8 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 173.4 | -176.6 | 175.3 | -160.6 | 0 | 0 | 111.2 | C110 A111 R116 V117 E118 Y138 | C110-E114 PolarHBondContact O-N 2.86Å; A111-E114 PolarHBondContact O-N 3.29Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 3.21Å; E114-V117 WeakPolarHBondContact O-CA 3.45Å; E114-V117 WeakPolarHBondContact O-CB 3.47Å; E114-V117 PolarHBondContact O-N 3.17Å; E114-E118 PolarHBondContact O-N 3.48Å; E114-Y138 HydrophobicContact CB-CD2 4.1Å; E114-Y138 HydrophobicContact CB-CE2 3.86Å; E114-Y138 HydrophobicContact CG-CE2 4.44Å |
| 115 | Q | 95.1 | Very high | 89.3 | Confident | 90 Ų | 90 | 70.8 Ų | 70.8 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.3 | -42.9 | 178.3 | -171.4 | 63.8 | 46.1 | 0 | 0 | 112.2 | A111 V117 E118 D119 | A111-Q115 WeakPolarHBondContact O-CB 3.49Å; A111-Q115 PolarHBondContact O-N 3.33Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.09Å; Q115-E118 PolarHBondContact O-N 2.73Å; Q115-D119 PolarHBondContact NE2-OD1 3.03Å; Q115-D119 WeakPolarHBondContact O-CB 3.35Å; Q115-D119 PolarHBondContact O-N 2.9Å |
| 116 | R | 96 | Very high | 90.8 | Very high | 110 Ų | 110 | 70 Ų | 70 | 42% | 0.415 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.8 | -73.2 | -175.2 | -65.2 | 144.4 | 4.8 | 112.2 | A112 A113 E114 C120 L134 E137 | A112-R116 WeakPolarHBondContact O-CG 3.44Å; A112-R116 PolarHBondContact O-N 3.08Å; A112-R116 PolarHBondContact O-NE 3.46Å; A113-R116 PolarHBondContact O-N 2.85Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 3.21Å; R116-C120 WeakPolarHBondContact O-CB 3.38Å; R116-C120 PolarHBondContact O-N 2.95Å; R116-C120 VanDerWaalsContact O-N 3.11Å; R116-L134 HydrophobicContact CB-CD2 4.27Å; R116-L134 WeakPolarHBondContact O-CD1 3.01Å; R116-E137 IonicContact CZ-OE2 2.91Å; R116-E137 VanDerWaalsContact CZ-OE2 3.26Å; R116-E137 IonicContact NH1-OE2 3.26Å; R116-E137 PolarHBondContact NH1-OE2 3.12Å; R116-E137 IonicContact NH2-OE2 2.92Å; R116-E137 PolarHBondContact NH2-OE2 2.99Å |
| 117 | V | 96.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65 | -47.9 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | A113 E114 Q115 D119 C120 Y121 L134 V135 | A113-V117 WeakPolarHBondContact O-CG2 3.22Å; A113-V117 PolarHBondContact O-N 2.81Å; A113-V117 VanDerWaalsContact O-N 3.09Å; E114-V117 WeakPolarHBondContact O-CA 3.45Å; E114-V117 WeakPolarHBondContact O-CB 3.47Å; E114-V117 PolarHBondContact O-N 3.17Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.09Å; V117-D119 PolarHBondContact O-N 2.95Å; V117-C120 PolarHBondContact O-N 3.18Å; V117-Y121 HydrophobicContact CG1-CD2 3.94Å; V117-Y121 HydrophobicContact CG1-CE2 3.43Å; V117-Y121 VanDerWaalsContact CG1-CE2 3.43Å; V117-Y121 WeakPolarHBondContact O-CD2 3.36Å; V117-Y121 PolarHBondContact O-N 2.91Å; V117-Y121 VanDerWaalsContact O-N 3.1Å; V117-L134 HydrophobicContact CG2-CB 3.88Å; V117-L134 WeakPolarHBondContact CG2-O 3.44Å; V117-V135 HydrophobicContact CG1-CG2 3.95Å; V117-V135 HydrophobicContact CG2-CG2 4.3Å |
| 118 | E | 96.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 177.3 | -70.9 | -165.7 | -179 | 0 | 0 | 112.6 | E114 Q115 C120 Y121 K122 | E114-E118 PolarHBondContact O-N 3.48Å; Q115-E118 PolarHBondContact O-N 2.73Å; E118-C120 VanDerWaalsContact C-N 3.25Å; E118-C120 PolarHBondContact O-N 3.46Å; E118-Y121 PolarHBondContact O-N 3.19Å; E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 3.33Å; E118-K122 IonicContact OE2-NZ 3.61Å; E118-K122 PolarHBondContact OE2-NZ 3.35Å |
| 119 | D | 97.2 | Very high | 94.7 | Very high | 57 Ų | 57 | 77.4 Ų | 77.4 | 31% | 0.305 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | -179.1 | -68.5 | -17.1 | 0 | 0 | 0 | 110.8 | Q115 V117 K122 Q123 | Q115-D119 PolarHBondContact NE2-OD1 3.03Å; Q115-D119 WeakPolarHBondContact O-CB 3.35Å; Q115-D119 PolarHBondContact O-N 2.9Å; V117-D119 PolarHBondContact O-N 2.95Å; D119-K122 PolarHBondContact O-N 3.38Å; D119-Q123 WeakPolarHBondContact O-CB 3.29Å; D119-Q123 VanDerWaalsContact O-CG 3.22Å; D119-Q123 WeakPolarHBondContact O-CG 2.94Å; D119-Q123 PolarHBondContact O-N 3.13Å; D119-Q123 PolarHBondContact O-NE2 2.99Å |
| 120 | C | 97.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 80.7 Ų | 80.7 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.7 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | R116 V117 E118 Q123 N124 C131 L134 | R116-C120 WeakPolarHBondContact O-CB 3.38Å; R116-C120 PolarHBondContact O-N 2.95Å; R116-C120 VanDerWaalsContact O-N 3.11Å; V117-C120 PolarHBondContact O-N 3.18Å; E118-C120 VanDerWaalsContact C-N 3.25Å; E118-C120 PolarHBondContact O-N 3.46Å; C120-Q123 PolarHBondContact O-N 3.48Å; C120-N124 WeakPolarHBondContact O-CB 3.39Å; C120-N124 PolarHBondContact O-N 3Å; C120-N124 PolarHBondContact O-ND2 3.44Å; C120-C131 HydrophobicContact CB-CB 3.83Å; C120-C131 WeakPolarHBondContact CB-SG 3.33Å; C120-C131 PolarHBondContact O-SG 3.09Å; C120-C131 WeakPolarHBondContact SG-CA 3.31Å; C120-C131 WeakPolarHBondContact SG-CB 3.44Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.41Å; C120-L134 HydrophobicContact CB-CD1 3.5Å; C120-L134 VanDerWaalsContact CB-CD1 3.5Å |
| 121 | Y | 97.5 | Very high | 95.5 | Very high | 96 Ų | 96 | 79.9 Ų | 79.9 | 38% | 0.376 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.3 | -68.8 | -37.4 | 0 | 0 | 0 | 112.4 | V117 E118 Q123 N124 I128 C131 V135 | V117-Y121 HydrophobicContact CG1-CD2 3.94Å; V117-Y121 HydrophobicContact CG1-CE2 3.43Å; V117-Y121 VanDerWaalsContact CG1-CE2 3.43Å; V117-Y121 WeakPolarHBondContact O-CD2 3.36Å; V117-Y121 PolarHBondContact O-N 2.91Å; V117-Y121 VanDerWaalsContact O-N 3.1Å; E118-Y121 PolarHBondContact O-N 3.19Å; Y121-Q123 VanDerWaalsContact C-N 3.29Å; Y121-Q123 PolarHBondContact O-N 3.27Å; Y121-N124 CarbonylContact O-C 3.52Å; Y121-N124 PolarHBondContact O-N 2.96Å; Y121-I128 HydrophobicContact CD1-CB 4.21Å; Y121-I128 HydrophobicContact CD1-CG2 3.98Å; Y121-I128 HydrophobicContact CE1-CB 3.83Å; Y121-I128 HydrophobicContact CE1-CG2 4.01Å; Y121-C131 HydrophobicContact CD1-CB 3.93Å; Y121-C131 HydrophobicContact CE1-CB 3.64Å; Y121-V135 VanDerWaalsContact OH-CG2 3.26Å; Y121-V135 WeakPolarHBondContact OH-CG2 3.43Å |
| 122 | K | 97.2 | Very high | 95.7 | Very high | 135 Ų | 135 | 81.1 Ų | 81.1 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 175 | -71 | 167.7 | -170.8 | 155.2 | 0 | 111.6 | E118 D119 | E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 3.33Å; E118-K122 IonicContact OE2-NZ 3.61Å; E118-K122 PolarHBondContact OE2-NZ 3.35Å; D119-K122 PolarHBondContact O-N 3.38Å |
| 123 | Q | 96.8 | Very high | 96 | Very high | 146 Ų | 146 | 84.8 Ų | 84.8 | 68% | 0.682 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.8 | -23.1 | 179.3 | -69.7 | 170.6 | 40.4 | 0 | 0 | 114 | D119 C120 Y121 P125 | D119-Q123 WeakPolarHBondContact O-CB 3.29Å; D119-Q123 VanDerWaalsContact O-CG 3.22Å; D119-Q123 WeakPolarHBondContact O-CG 2.94Å; D119-Q123 PolarHBondContact O-N 3.13Å; D119-Q123 PolarHBondContact O-NE2 2.99Å; C120-Q123 PolarHBondContact O-N 3.48Å; Y121-Q123 VanDerWaalsContact C-N 3.29Å; Y121-Q123 PolarHBondContact O-N 3.27Å; Q123-P125 VanDerWaalsContact O-CD 3.31Å; Q123-P125 WeakPolarHBondContact O-CD 3.31Å |
| 124 | N | 96.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 86.4 Ų | 86.4 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -123.3 | 60.8 | -173.5 | -64 | -83 | 0 | 0 | 0 | 112.2 | C120 Y121 G126 K127 L130 | C120-N124 WeakPolarHBondContact O-CB 3.39Å; C120-N124 PolarHBondContact O-N 3Å; C120-N124 PolarHBondContact O-ND2 3.44Å; Y121-N124 CarbonylContact O-C 3.52Å; Y121-N124 PolarHBondContact O-N 2.96Å; N124-G126 PolarHBondContact O-N 2.85Å; N124-K127 HydrophobicContact CB-CB 4.27Å; N124-K127 PolarHBondContact O-N 3.31Å; N124-L130 WeakPolarHBondContact OD1-CD1 3.48Å |
| 125 | P | 95 | Very high | 96.3 | Very high | 105 Ų | 105 | 84.2 Ų | 84.2 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 130.3 | 180 | 26.5 | -34.5 | 0 | 0 | 0 | 110.5 | Q123 K127 | Q123-P125 VanDerWaalsContact O-CD 3.31Å; Q123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-K127 PolarHBondContact O-N 2.94Å |
| 126 | G | 93.6 | Very high | 96.4 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 86% | 0.856 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -2.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | N124 | N124-G126 PolarHBondContact O-N 2.85Š|
| 127 | K | 95.1 | Very high | 96.4 | Very high | 137 Ų | 137 | 80.9 Ų | 80.9 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | trans | -119.4 | 46.2 | -179.7 | -58.5 | -177.4 | -173.6 | 175 | 0 | 111.9 | N124 P125 L129 L130 | N124-K127 HydrophobicContact CB-CB 4.27Å; N124-K127 PolarHBondContact O-N 3.31Å; P125-K127 PolarHBondContact O-N 2.94Å; K127-L129 PolarHBondContact O-N 3.24Å; K127-L130 HydrophobicContact CB-CD1 3.77Å; K127-L130 HydrophobicContact CB-CG 4.14Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.07Å; K127-L130 PolarHBondContact O-N 3.35Å | ||
| 128 | I | 93.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 83.3 Ų | 83.3 | 54% | 0.544 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -55.7 | -29 | -174.2 | 59.4 | 168.8 | 0 | 0 | 0 | 114.3 | Y121 L130 C131 | Y121-I128 HydrophobicContact CD1-CB 4.21Å; Y121-I128 HydrophobicContact CD1-CG2 3.98Å; Y121-I128 HydrophobicContact CE1-CB 3.83Å; Y121-I128 HydrophobicContact CE1-CG2 4.01Å; I128-L130 PolarHBondContact O-N 2.02Å; I128-C131 WeakPolarHBondContact O-CB 3.46Å; I128-C131 PolarHBondContact O-N 3Å |
| 129 | L | 96 | Very high | 96.4 | Very high | 142 Ų | 142 | 83.1 Ų | 83.1 | 74% | 0.743 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -65.7 | -22.3 | -179.4 | -63.2 | 177.7 | 0 | 0 | 0 | 113.1 | K127 C131 S132 | K127-L129 PolarHBondContact O-N 3.24Å; L129-C131 PolarHBondContact O-N 3.38Å; L129-S132 VanDerWaalsContact O-CB 3.29Å; L129-S132 WeakPolarHBondContact O-CB 3.48Å; L129-S132 PolarHBondContact O-N 3.06Å; L129-S132 PolarHBondContact O-OG 3.32Å |
| 130 | L | 96.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 87.9 Ų | 87.9 | 59% | 0.586 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -64 | -22.4 | 172.9 | -63.3 | 179.8 | 0 | 0 | 0 | 112.2 | N124 K127 I128 | N124-L130 WeakPolarHBondContact OD1-CD1 3.48Å; K127-L130 HydrophobicContact CB-CD1 3.77Å; K127-L130 HydrophobicContact CB-CG 4.14Å; K127-L130 HydrophobicContact CD-CD1 4Å; K127-L130 WeakPolarHBondContact O-CB 3.07Å; K127-L130 PolarHBondContact O-N 3.35Å; I128-L130 PolarHBondContact O-N 2.02Å |
| 131 | C | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -91.9 | -0.6 | 179.7 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | C120 Y121 I128 L129 K133 L134 V135 | C120-C131 HydrophobicContact CB-CB 3.83Å; C120-C131 WeakPolarHBondContact CB-SG 3.33Å; C120-C131 PolarHBondContact O-SG 3.09Å; C120-C131 WeakPolarHBondContact SG-CA 3.31Å; C120-C131 WeakPolarHBondContact SG-CB 3.44Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.41Å; Y121-C131 HydrophobicContact CD1-CB 3.93Å; Y121-C131 HydrophobicContact CE1-CB 3.64Å; I128-C131 WeakPolarHBondContact O-CB 3.46Å; I128-C131 PolarHBondContact O-N 3Å; L129-C131 PolarHBondContact O-N 3.38Å; C131-K133 VanDerWaalsContact C-N 3.25Å; C131-K133 PolarHBondContact O-N 3.46Å; C131-K133 VanDerWaalsContact O-N 3.14Å; C131-L134 WeakPolarHBondContact O-CB 3.47Å; C131-L134 PolarHBondContact O-N 2.84Å; C131-V135 PolarHBondContact O-N 2.95Å |
| 132 | S | 97.2 | Very high | 96.1 | Very high | 68 Ų | 68 | 86.8 Ų | 86.8 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -50.6 | -41.9 | -176.1 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | L129 L134 V135 S136 | L129-S132 VanDerWaalsContact O-CB 3.29Å; L129-S132 WeakPolarHBondContact O-CB 3.48Å; L129-S132 PolarHBondContact O-N 3.06Å; L129-S132 PolarHBondContact O-OG 3.32Å; S132-L134 PolarHBondContact O-N 3.48Å; S132-V135 PolarHBondContact O-N 3.08Å; S132-S136 PolarHBondContact O-N 2.91Å; S132-S136 PolarHBondContact O-OG 2.87Å; S132-S136 VanDerWaalsContact O-OG 3.11Å |
| 133 | K | 96.9 | Very high | 95.9 | Very high | 152 Ų | 152 | 86.2 Ų | 86.2 | 66% | 0.661 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 177.5 | -173.6 | 177 | 178.3 | -177.5 | 0 | 112.8 | C131 S136 E137 | C131-K133 VanDerWaalsContact C-N 3.25Å; C131-K133 PolarHBondContact O-N 3.46Å; C131-K133 VanDerWaalsContact O-N 3.14Å; K133-S136 PolarHBondContact O-N 2.75Å; K133-E137 PolarHBondContact O-N 2.91Å; K133-E137 VanDerWaalsContact O-N 3.13Å |
| 134 | L | 97.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 83.8 Ų | 83.8 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 178.6 | -65.7 | 172 | 0 | 0 | 0 | 111.1 | R116 V117 C120 C131 S132 E137 Y138 | R116-L134 HydrophobicContact CB-CD2 4.27Å; R116-L134 WeakPolarHBondContact O-CD1 3.01Å; V117-L134 HydrophobicContact CG2-CB 3.88Å; V117-L134 WeakPolarHBondContact CG2-O 3.44Å; C120-L134 HydrophobicContact CB-CD1 3.5Å; C120-L134 VanDerWaalsContact CB-CD1 3.5Å; C131-L134 WeakPolarHBondContact O-CB 3.47Å; C131-L134 PolarHBondContact O-N 2.84Å; S132-L134 PolarHBondContact O-N 3.48Å; L134-E137 WeakPolarHBondContact O-CB 3.39Å; L134-E137 PolarHBondContact O-N 3.42Å; L134-Y138 PolarHBondContact O-N 3.13Å |
| 135 | V | 97.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 85.5 Ų | 85.5 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | V117 Y121 C131 S132 E137 Y138 D139 | V117-V135 HydrophobicContact CG1-CG2 3.95Å; V117-V135 HydrophobicContact CG2-CG2 4.3Å; Y121-V135 VanDerWaalsContact OH-CG2 3.26Å; Y121-V135 WeakPolarHBondContact OH-CG2 3.43Å; C131-V135 PolarHBondContact O-N 2.95Å; S132-V135 PolarHBondContact O-N 3.08Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 3.34Å; V135-Y138 WeakPolarHBondContact O-CB 3.41Å; V135-Y138 PolarHBondContact O-N 3.3Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; V135-D139 PolarHBondContact O-N 3.26Å |
| 136 | S | 97.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 85.2 Ų | 85.2 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | S132 K133 R140 | S132-S136 PolarHBondContact O-N 2.91Å; S132-S136 PolarHBondContact O-OG 2.87Å; S132-S136 VanDerWaalsContact O-OG 3.11Å; K133-S136 PolarHBondContact O-N 2.75Å; S136-R140 WeakPolarHBondContact O-CB 3.43Å; S136-R140 PolarHBondContact O-N 2.89Å |
| 137 | E | 96 | Very high | 94.9 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 173.7 | -75.1 | -178.1 | -164.4 | 0 | 0 | 112.4 | R116 K133 L134 V135 C141 | R116-E137 IonicContact CZ-OE2 2.91Å; R116-E137 VanDerWaalsContact CZ-OE2 3.26Å; R116-E137 IonicContact NH1-OE2 3.26Å; R116-E137 PolarHBondContact NH1-OE2 3.12Å; R116-E137 IonicContact NH2-OE2 2.92Å; R116-E137 PolarHBondContact NH2-OE2 2.99Å; K133-E137 PolarHBondContact O-N 2.91Å; K133-E137 VanDerWaalsContact O-N 3.13Å; L134-E137 WeakPolarHBondContact O-CB 3.39Å; L134-E137 PolarHBondContact O-N 3.42Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 3.34Å; E137-C141 PolarHBondContact O-N 3.31Å; E137-C141 VanDerWaalsContact O-N 3.09Å |
| 138 | Y | 96.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 80.9 Ų | 80.9 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 174.1 | 172.7 | -102.3 | 0 | 0 | 0 | 111.2 | C110 A113 E114 L134 V135 R140 C141 V142 | C110-Y138 HydrophobicContact CB-CD2 4.04Å; C110-Y138 HydrophobicContact CB-CE2 4Å; A113-Y138 HydrophobicContact CB-CD2 4.11Å; E114-Y138 HydrophobicContact CB-CD2 4.1Å; E114-Y138 HydrophobicContact CB-CE2 3.86Å; E114-Y138 HydrophobicContact CG-CE2 4.44Å; L134-Y138 PolarHBondContact O-N 3.13Å; V135-Y138 WeakPolarHBondContact O-CB 3.41Å; V135-Y138 PolarHBondContact O-N 3.3Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 2.85Å; Y138-C141 WeakPolarHBondContact O-CA 3.42Å; Y138-C141 VanDerWaalsContact O-CB 3.31Å; Y138-C141 WeakPolarHBondContact O-CB 3.26Å; Y138-C141 PolarHBondContact O-N 3.43Å; Y138-V142 HydrophobicContact CD1-CG2 4.37Å; Y138-V142 HydrophobicContact CD2-CG2 4.41Å; Y138-V142 HydrophobicContact CE1-CG2 3.93Å; Y138-V142 HydrophobicContact CE2-CG2 3.94Å; Y138-V142 PolarHBondContact O-N 3.43Å |
| 139 | D | 96.3 | Very high | 94 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | 178.5 | -72.8 | -19 | 0 | 0 | 0 | 111.8 | V135 C141 V142 Q143 | V135-D139 PolarHBondContact O-N 3.26Å; D139-C141 VanDerWaalsContact C-N 3.28Å; D139-C141 PolarHBondContact O-N 2.93Å; D139-V142 PolarHBondContact O-N 2.95Å; D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 VanDerWaalsContact O-CG 3.31Å; D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | R | 96.5 | Very high | 93.4 | Very high | 156 Ų | 156 | 75.2 Ų | 75.2 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 175.8 | -176.5 | 178.6 | 64.7 | 159.3 | -1 | 111.7 | S136 Y138 N144 | S136-R140 WeakPolarHBondContact O-CB 3.43Å; S136-R140 PolarHBondContact O-N 2.89Å; Y138-R140 VanDerWaalsContact C-N 3.33Å; Y138-R140 PolarHBondContact O-N 2.85Å; R140-N144 WeakPolarHBondContact O-CB 3.42Å; R140-N144 PolarHBondContact O-N 3.05Å; R140-N144 PolarHBondContact O-ND2 3.46Å |
| 141 | C | 95.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 78 Ų | 78 | 31% | 0.311 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 176.9 | -179 | 0 | 0 | 0 | 0 | 111.1 | C110 E137 Y138 D139 N144 F145 | C110-C141 HydrophobicContact CB-CB 3.83Å; C110-C141 WeakPolarHBondContact CB-SG 3.49Å; C110-C141 WeakPolarHBondContact SG-CB 3.49Å; C110-C141 CovalentContact SG-SG 2.02Å; C110-C141 PolarHBondContact SG-SG 3.09Å; E137-C141 PolarHBondContact O-N 3.31Å; E137-C141 VanDerWaalsContact O-N 3.09Å; Y138-C141 WeakPolarHBondContact O-CA 3.42Å; Y138-C141 VanDerWaalsContact O-CB 3.31Å; Y138-C141 WeakPolarHBondContact O-CB 3.26Å; Y138-C141 PolarHBondContact O-N 3.43Å; D139-C141 VanDerWaalsContact C-N 3.28Å; D139-C141 PolarHBondContact O-N 2.93Å; C141-N144 PolarHBondContact O-N 3.02Å; C141-F145 WeakPolarHBondContact O-CB 3.5Å; C141-F145 PolarHBondContact O-N 2.95Å |
| 142 | V | 94 | Very high | 91.7 | Very high | 42 Ų | 42 | 83 Ų | 83 | 26% | 0.255 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | C110 Y138 D139 N144 F145 L146 | C110-V142 PolarHBondContact SG-N 3.22Å; C110-V142 VanDerWaalsContact SG-N 3.44Å; Y138-V142 HydrophobicContact CD1-CG2 4.37Å; Y138-V142 HydrophobicContact CD2-CG2 4.41Å; Y138-V142 HydrophobicContact CE1-CG2 3.93Å; Y138-V142 HydrophobicContact CE2-CG2 3.94Å; Y138-V142 PolarHBondContact O-N 3.43Å; D139-V142 PolarHBondContact O-N 2.95Å; V142-N144 VanDerWaalsContact C-N 3.35Å; V142-N144 PolarHBondContact O-N 3.31Å; V142-F145 WeakPolarHBondContact O-CB 3.37Å; V142-F145 PolarHBondContact O-N 3.14Å; V142-L146 HydrophobicContact CG1-CD1 4.13Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.22Å; V142-L146 PolarHBondContact O-N 2.92Å |
| 143 | Q | 94.7 | Very high | 90.6 | Very high | 123 Ų | 123 | 83.8 Ų | 83.8 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 177.5 | -72.8 | 175.6 | 6.3 | 0 | 0 | 112.1 | D139 F145 L146 V147 | D139-Q143 WeakPolarHBondContact O-CB 3.43Å; D139-Q143 VanDerWaalsContact O-CG 3.31Å; D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 3.29Å; Q143-F145 VanDerWaalsContact C-N 3.33Å; Q143-F145 PolarHBondContact O-N 3.11Å; Q143-L146 PolarHBondContact O-N 3.45Å; Q143-V147 WeakPolarHBondContact O-CG2 3.01Å; Q143-V147 PolarHBondContact O-N 3.28Å |
| 144 | N | 92 | Very high | 89.6 | Confident | 95 Ų | 95 | 80.6 Ų | 80.6 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.1 | -75.3 | -21.8 | 0 | 0 | 0 | 112.2 | R140 C141 V142 T148 | R140-N144 WeakPolarHBondContact O-CB 3.42Å; R140-N144 PolarHBondContact O-N 3.05Å; R140-N144 PolarHBondContact O-ND2 3.46Å; C141-N144 PolarHBondContact O-N 3.02Å; V142-N144 VanDerWaalsContact C-N 3.35Å; V142-N144 PolarHBondContact O-N 3.31Å; N144-T148 VanDerWaalsContact O-CB 3.31Å; N144-T148 WeakPolarHBondContact O-CB 3.4Å; N144-T148 PolarHBondContact O-N 3.36Å; N144-T148 PolarHBondContact O-OG1 2.94Å |
| 145 | F | 89.5 | Confident | 88.5 | Confident | 78 Ų | 78 | 85.2 Ų | 85.2 | 34% | 0.342 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 176.1 | 178.4 | -97 | 0 | 0 | 0 | 111.5 | C109 C141 V142 Q143 V147 T148 M149 | C109-F145 HydrophobicContact CB-CD1 4.07Å; C109-F145 HydrophobicContact CB-CD2 4.15Å; C109-F145 HydrophobicContact CB-CE1 4.09Å; C109-F145 HydrophobicContact CB-CE2 4.15Å; C109-F145 HydrophobicContact CB-CG 4.1Å; C109-F145 HydrophobicContact CB-CZ 4.13Å; C109-F145 WeakPolarHBondContact SG-CB 3.3Å; C109-F145 VanDerWaalsContact SG-CD1 3.53Å; C109-F145 WeakPolarHBondContact SG-CD2 3.04Å; C109-F145 WeakPolarHBondContact SG-CG 3.28Å; C141-F145 WeakPolarHBondContact O-CB 3.5Å; C141-F145 PolarHBondContact O-N 2.95Å; V142-F145 WeakPolarHBondContact O-CB 3.37Å; V142-F145 PolarHBondContact O-N 3.14Å; Q143-F145 VanDerWaalsContact C-N 3.33Å; Q143-F145 PolarHBondContact O-N 3.11Å; F145-V147 PolarHBondContact O-N 2.89Å; F145-T148 PolarHBondContact O-N 2.99Å; F145-M149 HydrophobicContact CD1-CG 4.15Å; F145-M149 HydrophobicContact CD2-CE 4.12Å; F145-M149 HydrophobicContact CD2-CG 4.45Å; F145-M149 HydrophobicContact CE1-CE 4.48Å; F145-M149 HydrophobicContact CE1-CG 3.77Å; F145-M149 HydrophobicContact CE2-CE 3.31Å; F145-M149 HydrophobicContact CE2-CG 4.11Å; F145-M149 HydrophobicContact CG-CG 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.53Å; F145-M149 HydrophobicContact CZ-CG 3.75Å; F145-M149 HydrophobicContact CZ-SD 4.39Å; F145-M149 WeakPolarHBondContact O-CG 3.49Å; F145-M149 PolarHBondContact O-N 3.18Å |
| 146 | L | 88.7 | Confident | 86.9 | Confident | 100 Ų | 100 | 86.3 Ų | 86.3 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 177.2 | -69.6 | 175.3 | 0 | 0 | 0 | 111.4 | V142 Q143 T148 M149 S150 | V142-L146 HydrophobicContact CG1-CD1 4.13Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.22Å; V142-L146 PolarHBondContact O-N 2.92Å; Q143-L146 PolarHBondContact O-N 3.45Å; L146-T148 VanDerWaalsContact C-N 3.28Å; L146-T148 PolarHBondContact O-N 3.39Å; L146-M149 PolarHBondContact O-N 2.04Å; L146-S150 PolarHBondContact O-N 3.1Å; L146-S150 PolarHBondContact O-OG 3.11Å; L146-S150 VanDerWaalsContact O-OG 3.13Å |
| 147 | V | 90 | Very high | 85 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | Q143 F145 R151 | Q143-V147 WeakPolarHBondContact O-CG2 3.01Å; Q143-V147 PolarHBondContact O-N 3.28Å; F145-V147 PolarHBondContact O-N 2.89Å; V147-R151 VanDerWaalsContact O-CG 3.32Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 3.19Å |
| 148 | T | 86.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 179 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | N144 F145 L146 R151 K152 | N144-T148 VanDerWaalsContact O-CB 3.31Å; N144-T148 WeakPolarHBondContact O-CB 3.4Å; N144-T148 PolarHBondContact O-N 3.36Å; N144-T148 PolarHBondContact O-OG1 2.94Å; F145-T148 PolarHBondContact O-N 2.99Å; L146-T148 VanDerWaalsContact C-N 3.28Å; L146-T148 PolarHBondContact O-N 3.39Å; T148-R151 PolarHBondContact O-N 3.47Å; T148-K152 HydrophobicContact CG2-CD 4.39Å; T148-K152 WeakPolarHBondContact O-CG 3.29Å; T148-K152 PolarHBondContact O-N 3Å |
| 149 | M | 82.2 | Confident | 83.8 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 26% | 0.261 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 178.2 | -72.7 | -56.3 | 166.5 | 0 | 0 | 111.8 | F145 L146 R151 K152 V153 | F145-M149 HydrophobicContact CD1-CG 4.15Å; F145-M149 HydrophobicContact CD2-CE 4.12Å; F145-M149 HydrophobicContact CD2-CG 4.45Å; F145-M149 HydrophobicContact CE1-CE 4.48Å; F145-M149 HydrophobicContact CE1-CG 3.77Å; F145-M149 HydrophobicContact CE2-CE 3.31Å; F145-M149 HydrophobicContact CE2-CG 4.11Å; F145-M149 HydrophobicContact CG-CG 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.53Å; F145-M149 HydrophobicContact CZ-CG 3.75Å; F145-M149 HydrophobicContact CZ-SD 4.39Å; F145-M149 WeakPolarHBondContact O-CG 3.49Å; F145-M149 PolarHBondContact O-N 3.18Å; L146-M149 PolarHBondContact O-N 2.04Å; M149-R151 VanDerWaalsContact C-N 3.33Å; M149-R151 PolarHBondContact O-N 3.47Å; M149-K152 PolarHBondContact O-N 3.23Å; M149-K152 HydrophobicContact SD-CD 4.32Å; M149-V153 WeakPolarHBondContact O-CG2 3.47Å; M149-V153 PolarHBondContact O-N 3.31Å |
| 150 | S | 83.1 | Confident | 83.1 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 112 | L146 K152 V153 S154 | L146-S150 PolarHBondContact O-N 3.1Å; L146-S150 PolarHBondContact O-OG 3.11Å; L146-S150 VanDerWaalsContact O-OG 3.13Å; S150-K152 PolarHBondContact O-N 2.83Å; S150-V153 PolarHBondContact O-N 3.42Å; S150-S154 PolarHBondContact O-N 2.93Å; S150-S154 PolarHBondContact O-OG 2.96Å; S150-S154 VanDerWaalsContact O-OG 3.08Å |
| 151 | R | 84 | Confident | 82.3 | Confident | 170 Ų | 170 | 89.8 Ų | 89.8 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 177.1 | -73.6 | 176 | -178.6 | 177.5 | 1.8 | 113.1 | V147 T148 M149 V153 S154 N155 | V147-R151 VanDerWaalsContact O-CG 3.32Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 3.19Å; T148-R151 PolarHBondContact O-N 3.47Å; M149-R151 VanDerWaalsContact C-N 3.33Å; M149-R151 PolarHBondContact O-N 3.47Å; R151-V153 VanDerWaalsContact C-N 3.34Å; R151-S154 PolarHBondContact O-N 3.26Å; R151-N155 WeakPolarHBondContact O-CB 3.35Å; R151-N155 VanDerWaalsContact O-CG 3.3Å; R151-N155 PolarHBondContact O-N 3.3Å; R151-N155 PolarHBondContact O-ND2 3.29Å |
| 152 | K | 74.9 | Confident | 81.5 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 45% | 0.452 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.8 | -75.8 | 177.6 | -179.8 | 178.7 | 0 | 112 | Y101 T148 M149 S150 A156 | Y101-K152 HydrophobicContact CE1-CB 4.35Å; T148-K152 HydrophobicContact CG2-CD 4.39Å; T148-K152 WeakPolarHBondContact O-CG 3.29Å; T148-K152 PolarHBondContact O-N 3Å; M149-K152 PolarHBondContact O-N 3.23Å; M149-K152 HydrophobicContact SD-CD 4.32Å; S150-K152 PolarHBondContact O-N 2.83Å; K152-A156 WeakPolarHBondContact O-CB 3.31Å; K152-A156 PolarHBondContact O-N 3.06Å |
| 153 | V | 73.9 | Confident | 80.6 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | M149 S150 R151 N155 A156 A157 | M149-V153 WeakPolarHBondContact O-CG2 3.47Å; M149-V153 PolarHBondContact O-N 3.31Å; S150-V153 PolarHBondContact O-N 3.42Å; R151-V153 VanDerWaalsContact C-N 3.34Å; V153-N155 VanDerWaalsContact C-N 3.31Å; V153-N155 PolarHBondContact O-N 3.02Å; V153-A156 PolarHBondContact O-N 3.07Å; V153-A156 VanDerWaalsContact O-N 3.13Å; V153-A157 PolarHBondContact O-N 3.18Å |
| 154 | S | 76.1 | Confident | 79.6 | Confident | 86 Ų | 86 | 93.9 Ų | 93.9 | 60% | 0.601 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.6 | -32.6 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | S150 R151 A156 | S150-S154 PolarHBondContact O-N 2.93Å; S150-S154 PolarHBondContact O-OG 2.96Å; S150-S154 VanDerWaalsContact O-OG 3.08Å; R151-S154 PolarHBondContact O-N 3.26Å; S154-A156 VanDerWaalsContact C-N 3.31Å |
| 155 | N | 74.8 | Confident | 78.7 | Confident | 141 Ų | 141 | 93.8 Ų | 93.8 | 75% | 0.754 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8 | 178 | -70.1 | -14.9 | 0 | 0 | 0 | 113.8 | R151 V153 | R151-N155 WeakPolarHBondContact O-CB 3.35Å; R151-N155 VanDerWaalsContact O-CG 3.3Å; R151-N155 PolarHBondContact O-N 3.3Å; R151-N155 PolarHBondContact O-ND2 3.29Å; V153-N155 VanDerWaalsContact C-N 3.31Å; V153-N155 PolarHBondContact O-N 3.02Å |
| 156 | A | 64 | Low | 77.8 | Confident | 57 Ų | 57 | 95.2 Ų | 95.2 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.5 | -10.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y101 K152 V153 S154 | Y101-A156 WeakPolarHBondContact OH-CB 3.39Å; K152-A156 WeakPolarHBondContact O-CB 3.31Å; K152-A156 PolarHBondContact O-N 3.06Å; V153-A156 PolarHBondContact O-N 3.07Å; V153-A156 VanDerWaalsContact O-N 3.13Å; S154-A156 VanDerWaalsContact C-N 3.31Å |
| 157 | A | 55.4 | Low | 76.8 | Confident | 141 Ų | 141 | 94.7 Ų | 94.7 | 100% | 1.165 | 56% | 0.562 | S | S | * | * | trans | -88.2 | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V153 | V153-A157 PolarHBondContact O-N 3.18Š|
Retrieved 157 of 157 residues in 272.7 ms
(Link to these results)