| 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 | Very low | 41.9 | Very low | 248 Ų | 248 | 151 Ų | 151 | 100% | 1.222 | 84% | 0.838 | S | S | * | * | 0 | 106.4 | 0 | -72.2 | 173.9 | -178.7 | 0 | 0 | 106.3 | |||||
| 2 | A | 38.7 | Very low | 41.4 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -93.2 | 136.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 41.6 | Very low | 40.5 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | trans | -129.2 | 97.2 | 160.6 | 56.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 4 | A | 44 | Very low | 40.7 | Very low | 92 Ų | 92 | 157.1 Ų | 157.1 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -73.9 | 129.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | L | 45.4 | Very low | 41.3 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | -97.3 | 97.7 | 166.6 | -86.3 | 157.2 | 0 | 0 | 0 | 106.3 | ||||
| 6 | E | 43.5 | Very low | 41.4 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | -90.5 | 132.6 | 162.9 | -72.4 | -78.9 | 91.3 | 0 | 0 | 107.8 | ||||
| 7 | P | 44.1 | Very low | 41.6 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -87.1 | 108.5 | 161.7 | 30.8 | -22.9 | 0 | 0 | 0 | 108.6 | ||||
| 8 | E | 42.5 | Very low | 41.9 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -76.4 | 125.4 | 176.1 | -63.4 | -167.6 | 106.8 | 0 | 0 | 110.9 | Q10 | E8-Q10 PolarHBondContact O-N 3.09Š| ||
| 9 | D | 40.5 | Very low | 41.8 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -56.5 | 121.9 | 173.6 | -141.8 | -109.5 | 0 | 0 | 0 | 109.8 | D11 | D9-D11 VanDerWaalsContact C-N 3.3Å; D9-D11 PolarHBondContact O-N 3.09Å | ||
| 10 | Q | 41.1 | Very low | 41.5 | Very low | 169 Ų | 169 | 154.5 Ų | 154.5 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 82.7 | 175.9 | -82.6 | 178.6 | -4.2 | 0 | 0 | 110.3 | E8 L12 | E8-Q10 PolarHBondContact O-N 3.09Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.85Å | ||
| 11 | D | 39.9 | Very low | 42.1 | Very low | 125 Ų | 125 | 153 Ų | 153 | 67% | 0.668 | 82% | 0.821 | S | S | * | * | trans | -81.7 | 76.3 | 161.4 | -152.2 | -83.5 | 0 | 0 | 0 | 108.8 | D9 | D9-D11 VanDerWaalsContact C-N 3.3Å; D9-D11 PolarHBondContact O-N 3.09Å | ||
| 12 | L | 35.1 | Very low | 42.5 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | trans | -125.4 | 59.4 | -180 | -88.5 | 162.8 | 0 | 0 | 0 | 110.2 | Q10 | Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 2.85Å | ||
| 13 | W | 30.5 | Very low | 43.8 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.924 | 80% | 0.803 | S | S | * | * | trans | -110.7 | 27.8 | 161.9 | -60.7 | 102.5 | 0 | 0 | 0 | 111.8 | E15 | W13-E15 PolarHBondContact O-N 3.18Š| ||
| 14 | E | 42.3 | Very low | 44.4 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 97.8 | 169 | -66.7 | -171 | 142.5 | 0 | 0 | 109.9 | ||||
| 15 | E | 50.8 | Low | 44.7 | Very low | 181 Ų | 181 | 158.5 Ų | 158.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 149.7 | 69.4 | 145.4 | -83.2 | -114.3 | 89.2 | 0 | 0 | 110.8 | W13 | W13-E15 PolarHBondContact O-N 3.18Š| ||
| 16 | E | 42.3 | Very low | 45 | Very low | 186 Ų | 186 | 156.6 Ų | 156.6 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -130.5 | 99.9 | 137.7 | -87.4 | -164.6 | 124.1 | 0 | 0 | 107.7 | V18 | E16-V18 PolarHBondContact O-N 3.33Š| ||
| 17 | G | 44.6 | Very low | 44.9 | Very low | 76 Ų | 76 | 158 Ų | 158 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -51.9 | 97.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L19 | G17-L19 PolarHBondContact O-N 2.96Š| ||
| 18 | V | 47.7 | Very low | 44.8 | Very low | 126 Ų | 126 | 158.8 Ų | 158.8 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 93.1 | 157.2 | -179 | 0 | 0 | 0 | 0 | 105.5 | E16 M20 | E16-V18 PolarHBondContact O-N 3.33Å; V18-M20 PolarHBondContact O-N 2.96Å | ||
| 19 | L | 39.3 | Very low | 44.8 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -59 | 90.8 | 168.2 | -163.8 | 81.1 | 0 | 0 | 0 | 107.2 | G17 V21 | G17-L19 PolarHBondContact O-N 2.96Å; L19-V21 VanDerWaalsContact C-N 3.26Å; L19-V21 PolarHBondContact O-N 3.47Å | ||
| 20 | M | 37.2 | Very low | 44.8 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | trans | -63.5 | 96.1 | 167.5 | -79.1 | -130.3 | -70.9 | 0 | 0 | 106.8 | V18 K22 | V18-M20 PolarHBondContact O-N 2.96Å; M20-K22 VanDerWaalsContact C-N 3.3Å; M20-K22 PolarHBondContact O-N 2.97Å | ||
| 21 | V | 53.2 | Low | 45.5 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 100.4 | 167.8 | -151.3 | 0 | 0 | 0 | 0 | 105.1 | L19 L23 | L19-V21 VanDerWaalsContact C-N 3.26Å; L19-V21 PolarHBondContact O-N 3.47Å; V21-L23 PolarHBondContact O-N 3.15Å | ||
| 22 | K | 49.4 | Very low | 45.5 | Very low | 195 Ų | 195 | 152 Ų | 152 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -62.2 | 93.8 | 166 | -82.6 | -178.6 | 168.1 | -175.5 | 0 | 106.3 | M20 E24 | M20-K22 VanDerWaalsContact C-N 3.3Å; M20-K22 PolarHBondContact O-N 2.97Å; K22-E24 PolarHBondContact O-N 3.26Å | ||
| 23 | L | 65.4 | Low | 46.3 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -80.3 | 105 | 165.7 | -171 | 64.7 | 0 | 0 | 0 | 105.8 | V21 D25 | V21-L23 PolarHBondContact O-N 3.15Å; L23-D25 PolarHBondContact O-N 2.91Å | ||
| 24 | E | 53.8 | Low | 46.7 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -59.6 | 126.8 | 173.5 | -81 | 172.3 | 119.4 | 0 | 0 | 109.7 | K22 D26 | K22-E24 PolarHBondContact O-N 3.26Å; E24-D26 PolarHBondContact O-N 3.11Å | ||
| 25 | D | 50.5 | Low | 47.1 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 111.4 | 177.2 | -170.3 | -94.8 | 0 | 0 | 0 | 108.8 | L23 | L23-D25 PolarHBondContact O-N 2.91Š| ||
| 26 | D | 51 | Low | 46.7 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -145.4 | 78.7 | 156.7 | -150.4 | -70.2 | 0 | 0 | 0 | 108.5 | E24 | E24-D26 PolarHBondContact O-N 3.11Š| ||
| 27 | F | 42.3 | Very low | 46.8 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -124.3 | 93.3 | 163.1 | -80.7 | -80.6 | 0 | 0 | 0 | 108.6 | C29 | F27-C29 PolarHBondContact O-N 3.15Š| ||
| 28 | T | 42.1 | Very low | 47.3 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -58 | 98.5 | 164.9 | 30.6 | 0 | 0 | 0 | 0 | 109.2 | G30 | T28-G30 PolarHBondContact O-N 3.36Å; T28-G30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | C | 41.9 | Very low | 47.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -76.4 | 95.9 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | F27 | F27-C29 PolarHBondContact O-N 3.15Š| ||
| 30 | G | 40.3 | Very low | 48.8 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | trans | -67.7 | 141.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T28 | T28-G30 PolarHBondContact O-N 3.36Å; T28-G30 VanDerWaalsContact O-N 3.12Å | ||
| 31 | P | 55.9 | Low | 49.9 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -86.6 | 112.9 | 177.7 | 31.6 | -27.1 | 0 | 0 | 0 | 108.9 | ||||
| 32 | E | 39.3 | Very low | 50.7 | Low | 186 Ų | 186 | 120.3 Ų | 120.3 | 87% | 0.869 | 68% | 0.684 | S | S | * | * | trans | -155.9 | 102.9 | 161.2 | -113.6 | 163.2 | 159.3 | 0 | 0 | 112.8 | ||||
| 33 | S | 51.7 | Low | 51.7 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -16.3 | 120.2 | 151.6 | 46.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 34 | A | 39.3 | Very low | 52.4 | Low | 81 Ų | 81 | 109.4 Ų | 109.4 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | trans | -148 | 113.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | E36 | A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.84Å | ||
| 35 | L | 50.7 | Low | 53.7 | Low | 186 Ų | 186 | 100.8 Ų | 100.8 | 97% | 0.974 | 60% | 0.597 | S | S | * | * | trans | -63.3 | 92.1 | 164.5 | -64.1 | 165 | 0 | 0 | 0 | 107.3 | G37 | L35-G37 PolarHBondContact O-N 3.09Š| ||
| 36 | E | 42.3 | Very low | 55.5 | Low | 123 Ų | 123 | 95.7 Ų | 95.7 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | trans | -77.3 | 101.7 | 167.7 | -101.5 | 166 | 71.2 | 0 | 0 | 107.2 | A34 D38 R79 | A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.84Å; E36-D38 PolarHBondContact O-N 3.23Å; E36-R79 IonicContact OE1-CZ 3.05Å; E36-R79 IonicContact OE1-NH1 2.69Å; E36-R79 PolarHBondContact OE1-NH1 3.29Å; E36-R79 IonicContact OE1-NH2 3.33Å; E36-R79 PolarHBondContact OE1-NH2 3.48Å; E36-R79 IonicContact OE2-CZ 3.21Å; E36-R79 IonicContact OE2-NH1 3.75Å; E36-R79 IonicContact OE2-NH2 3.78Å; E36-R79 PolarHBondContact OE2-NH2 2.89Å | ||
| 37 | G | 45.6 | Very low | 57.1 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 68% | 0.68 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 129.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L35 D39 | L35-G37 PolarHBondContact O-N 3.09Å; G37-D39 PolarHBondContact O-N 3.33Å |
| 38 | D | 55.6 | Low | 59.4 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 34% | 0.337 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.5 | -166.8 | -169.7 | -111.6 | 0 | 0 | 0 | 112.3 | E36 L42 R80 | E36-D38 PolarHBondContact O-N 3.23Å; D38-L42 VanDerWaalsContact CG-CD2 3.49Å; D38-L42 WeakPolarHBondContact OD1-CB 3.31Å; D38-L42 WeakPolarHBondContact OD1-CD2 3.49Å; D38-L42 WeakPolarHBondContact OD2-CB 3.4Å; D38-L42 VanDerWaalsContact OD2-CD2 3.31Å; D38-L42 WeakPolarHBondContact OD2-CD2 3.44Å; D38-R80 IonicContact OD2-NH2 3.47Å |
| 39 | D | 59.3 | Low | 61.8 | Low | 77 Ų | 77 | 82.6 Ų | 82.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 140.6 | -174 | -172.5 | -76.3 | 0 | 0 | 0 | 110.1 | G37 V41 L42 | G37-D39 PolarHBondContact O-N 3.33Å; D39-V41 PolarHBondContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CB 3.42Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.49Å; D39-V41 PolarHBondContact OD1-N 3.39Å; D39-L42 PolarHBondContact O-N 3.28Å |
| 40 | P | 59.2 | Low | 64.1 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -50.6 | -18.2 | 176.6 | 20.9 | -34.1 | 0 | 0 | 0 | 114.3 | T44 | P40-T44 WeakPolarHBondContact O-CB 3.39Å; P40-T44 PolarHBondContact O-N 3.27Å; P40-T44 PolarHBondContact O-OG1 3.23Å |
| 41 | V | 60.2 | Low | 66.6 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 172.2 | 171.6 | 0 | 0 | 0 | 0 | 113.6 | D39 S45 | D39-V41 PolarHBondContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CB 3.42Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.49Å; D39-V41 PolarHBondContact OD1-N 3.39Å; V41-S45 VanDerWaalsContact O-CB 3.28Å; V41-S45 WeakPolarHBondContact O-CB 3.34Å; V41-S45 PolarHBondContact O-N 2.81Å; V41-S45 PolarHBondContact O-OG 2.95Å |
| 42 | L | 69.3 | Low | 68.4 | Low | 15 Ų | 15 | 84.7 Ų | 84.7 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.5 | -51.1 | -178.1 | -164.4 | 86.6 | 0 | 0 | 0 | 111.3 | D38 D39 T44 S45 H46 W74 R76 | D38-L42 VanDerWaalsContact CG-CD2 3.49Å; D38-L42 WeakPolarHBondContact OD1-CB 3.31Å; D38-L42 WeakPolarHBondContact OD1-CD2 3.49Å; D38-L42 WeakPolarHBondContact OD2-CB 3.4Å; D38-L42 VanDerWaalsContact OD2-CD2 3.31Å; D38-L42 WeakPolarHBondContact OD2-CD2 3.44Å; D39-L42 PolarHBondContact O-N 3.28Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.09Å; L42-S45 PolarHBondContact O-N 2.81Å; L42-H46 WeakPolarHBondContact O-CB 3.31Å; L42-H46 PolarHBondContact O-N 3.49Å; L42-W74 WeakPolarHBondContact CD1-O 3.47Å; L42-R76 HydrophobicContact CD1-CG 4.29Å |
| 43 | E | 71.1 | Confident | 70.9 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 28% | 0.276 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | -179.2 | -164.8 | -174 | 94.5 | 0 | 0 | 111 | Q47 R110 | E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 3.49Å; E43-Q47 VanDerWaalsContact O-N 3.13Å; E43-R110 VanDerWaalsContact CD-CZ 3.45Å; E43-R110 IonicContact OE1-CZ 2.66Å; E43-R110 IonicContact OE1-NE 3.41Å; E43-R110 IonicContact OE1-NH1 3.75Å; E43-R110 IonicContact OE1-NH2 3.76Å; E43-R110 PolarHBondContact OE1-NH2 3.37Å; E43-R110 VanDerWaalsContact OE2-CD 3.26Å; E43-R110 WeakPolarHBondContact OE2-CD 3.24Å; E43-R110 WeakPolarHBondContact OE2-CG 3.23Å; E43-R110 IonicContact OE2-CZ 2.69Å; E43-R110 IonicContact OE2-NE 3.59Å; E43-R110 PolarHBondContact OE2-NE 3.49Å; E43-R110 IonicContact OE2-NH1 3.73Å; E43-R110 PolarHBondContact OE2-NH1 2.92Å; E43-R110 IonicContact OE2-NH2 3.56Å; E43-R110 PolarHBondContact OE2-NH2 3.48Å |
| 44 | T | 78.6 | Confident | 72.8 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 175.4 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | P40 L42 H46 Q47 N48 | P40-T44 WeakPolarHBondContact O-CB 3.39Å; P40-T44 PolarHBondContact O-N 3.27Å; P40-T44 PolarHBondContact O-OG1 3.23Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.09Å; T44-H46 PolarHBondContact O-N 3.33Å; T44-Q47 PolarHBondContact O-N 2.87Å; T44-N48 WeakPolarHBondContact O-CB 3.22Å; T44-N48 PolarHBondContact O-N 3.12Å; T44-N48 PolarHBondContact O-ND2 2.92Å |
| 45 | S | 82.9 | Confident | 75.3 | Confident | 5 Ų | 5 | 88.5 Ų | 88.5 | 4% | 0.035 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | V41 L42 N48 F49 | V41-S45 VanDerWaalsContact O-CB 3.28Å; V41-S45 WeakPolarHBondContact O-CB 3.34Å; V41-S45 PolarHBondContact O-N 2.81Å; V41-S45 PolarHBondContact O-OG 2.95Å; L42-S45 PolarHBondContact O-N 2.81Å; S45-N48 PolarHBondContact O-N 3.05Å; S45-F49 WeakPolarHBondContact O-CB 3.42Å; S45-F49 PolarHBondContact O-N 3.49Å |
| 46 | H | 86.7 | Confident | 77 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 173.7 | 178.1 | -136.7 | 0 | 0 | 0 | 112.1 | L42 T44 N48 F49 R50 W74 E92 | L42-H46 WeakPolarHBondContact O-CB 3.31Å; L42-H46 PolarHBondContact O-N 3.49Å; T44-H46 PolarHBondContact O-N 3.33Å; H46-N48 VanDerWaalsContact C-N 3.32Å; H46-N48 PolarHBondContact O-N 3.33Å; H46-F49 PolarHBondContact O-N 3.28Å; H46-R50 PolarHBondContact O-N 3.38Å; H46-R50 VanDerWaalsContact O-N 3.11Å; H46-W74 HydrophobicContact CB-CD2 4.33Å; H46-W74 HydrophobicContact CB-CG 3.95Å; H46-W74 AromaticContact CD2-CD2 3.61Å; H46-W74 AromaticContact CD2-CE2 3.14Å; H46-W74 AromaticContact CD2-CH2 3.81Å; H46-W74 AromaticContact CD2-CZ2 3.27Å; H46-W74 WeakPolarHBondContact CD2-CZ2 3.46Å; H46-W74 AromaticContact CD2-NE1 3.44Å; H46-W74 PolarHBondContact CD2-NE1 2.95Å; H46-W74 AromaticContact CG-CD1 3.97Å; H46-W74 AromaticContact CG-CE2 3.79Å; H46-W74 AromaticContact CG-NE1 3.58Å; H46-W74 AromaticContact NE2-CE2 3.81Å; H46-W74 AromaticContact NE2-CH2 3.92Å; H46-W74 AromaticContact NE2-CZ2 3.45Å; H46-W74 WeakPolarHBondContact NE2-CZ2 3.29Å; H46-E92 IonicContact CD2-OE1 3.56Å; H46-E92 IonicContact CE1-OE1 2.98Å; H46-E92 IonicContact NE2-OE1 2.86Å; H46-E92 PolarHBondContact NE2-OE1 3.4Å |
| 47 | Q | 86.2 | Confident | 79.3 | Confident | 64 Ų | 64 | 80.7 Ų | 80.7 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 178.2 | -72.7 | -178.6 | 49 | 0 | 0 | 111.9 | E43 T44 R50 R51 | E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 3.49Å; E43-Q47 VanDerWaalsContact O-N 3.13Å; T44-Q47 PolarHBondContact O-N 2.87Å; Q47-R50 PolarHBondContact O-N 2.99Å; Q47-R51 VanDerWaalsContact O-CB 3.22Å; Q47-R51 WeakPolarHBondContact O-CB 3.49Å; Q47-R51 VanDerWaalsContact O-CG 3.24Å; Q47-R51 WeakPolarHBondContact O-CG 3.21Å; Q47-R51 PolarHBondContact O-N 3.11Å; Q47-R51 VanDerWaalsContact OE1-CZ 3.3Å; Q47-R51 VanDerWaalsContact OE1-NH2 3.14Å |
| 48 | N | 90.2 | Very high | 81.4 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.6 | -70.1 | -20.1 | 0 | 0 | 0 | 111.6 | T44 S45 H46 R50 R51 F52 L70 | T44-N48 WeakPolarHBondContact O-CB 3.22Å; T44-N48 PolarHBondContact O-N 3.12Å; T44-N48 PolarHBondContact O-ND2 2.92Å; S45-N48 PolarHBondContact O-N 3.05Å; H46-N48 VanDerWaalsContact C-N 3.32Å; H46-N48 PolarHBondContact O-N 3.33Å; N48-R50 VanDerWaalsContact C-N 3.34Å; N48-R50 PolarHBondContact O-N 3.32Å; N48-R51 PolarHBondContact O-N 3.33Å; N48-F52 WeakPolarHBondContact O-CB 3.36Å; N48-F52 PolarHBondContact O-N 2.68Å; N48-L70 HydrophobicContact CB-CD2 3.77Å |
| 49 | F | 92.3 | Very high | 83.3 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 18% | 0.18 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 175.4 | 179.2 | -106.3 | 0 | 0 | 0 | 111.9 | S45 H46 L67 L70 C71 W74 | S45-F49 WeakPolarHBondContact O-CB 3.42Å; S45-F49 PolarHBondContact O-N 3.49Å; H46-F49 PolarHBondContact O-N 3.28Å; F49-L67 HydrophobicContact CD2-CD2 4.05Å; F49-L67 WeakPolarHBondContact CD2-O 3.44Å; F49-L67 HydrophobicContact CE2-CB 4.39Å; F49-L67 HydrophobicContact CE2-CD2 3.85Å; F49-L67 WeakPolarHBondContact CE2-O 3.24Å; F49-L70 HydrophobicContact CB-CB 3.98Å; F49-L70 HydrophobicContact CD2-CB 3.91Å; F49-L70 HydrophobicContact CG-CB 4.45Å; F49-C71 HydrophobicContact CD2-CB 4.01Å; F49-C71 HydrophobicContact CE2-CB 3.71Å; F49-C71 HydrophobicContact CZ-CB 4.31Å; F49-W74 AromaticContact CD1-CE3 3.76Å; F49-W74 HydrophobicContact CD1-CE3 3.76Å; F49-W74 AromaticContact CD1-CZ3 3.75Å; F49-W74 HydrophobicContact CD1-CZ3 3.75Å; F49-W74 HydrophobicContact CE1-CE3 4.2Å; F49-W74 AromaticContact CE1-CZ3 3.87Å; F49-W74 HydrophobicContact CE1-CZ3 3.87Å; F49-W74 HydrophobicContact CG-CE3 4.3Å |
| 50 | R | 90.5 | Very high | 85 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.7 | -28.2 | -178.9 | -68.5 | -60 | -170.9 | -172 | 0.1 | 114.1 | H46 Q47 N48 E92 | H46-R50 PolarHBondContact O-N 3.38Å; H46-R50 VanDerWaalsContact O-N 3.11Å; Q47-R50 PolarHBondContact O-N 2.99Å; N48-R50 VanDerWaalsContact C-N 3.34Å; N48-R50 PolarHBondContact O-N 3.32Å; R50-E92 IonicContact CZ-OE1 3.89Å; R50-E92 IonicContact CZ-OE2 2.81Å; R50-E92 IonicContact NE-OE1 4Å; R50-E92 PolarHBondContact NE-OE1 3.48Å; R50-E92 IonicContact NE-OE2 3.43Å; R50-E92 VanDerWaalsContact NH2-CD 3.31Å; R50-E92 IonicContact NH2-OE1 2.87Å; R50-E92 PolarHBondContact NH2-OE1 3.49Å; R50-E92 IonicContact NH2-OE2 3.06Å; R50-E92 PolarHBondContact NH2-OE2 3.29Å |
| 51 | R | 91.4 | Very high | 86.8 | Confident | 165 Ų | 165 | 88 Ų | 88 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -91.5 | -10.1 | -180 | -69.6 | 178 | -179.7 | 153 | 8.2 | 113.7 | Q47 N48 R53 | Q47-R51 VanDerWaalsContact O-CB 3.22Å; Q47-R51 WeakPolarHBondContact O-CB 3.49Å; Q47-R51 VanDerWaalsContact O-CG 3.24Å; Q47-R51 WeakPolarHBondContact O-CG 3.21Å; Q47-R51 PolarHBondContact O-N 3.11Å; Q47-R51 VanDerWaalsContact OE1-CZ 3.3Å; Q47-R51 VanDerWaalsContact OE1-NH2 3.14Å; N48-R51 PolarHBondContact O-N 3.33Å; R51-R53 WeakPolarHBondContact O-CG 3.45Å; R51-R53 PolarHBondContact O-N 3.03Å |
| 52 | F | 93.4 | Very high | 88.5 | Confident | 40 Ų | 40 | 87.3 Ų | 87.3 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | trans | -50.9 | 128.7 | 179.4 | 179.7 | -94.2 | 0 | 0 | 0 | 111.2 | N48 E56 A57 A63 R66 L67 L70 | N48-F52 WeakPolarHBondContact O-CB 3.36Å; N48-F52 PolarHBondContact O-N 2.68Å; F52-E56 HydrophobicContact CE2-CB 4.22Å; F52-A57 HydrophobicContact CZ-CB 4.25Å; F52-A63 HydrophobicContact CE1-CB 4.13Å; F52-A63 HydrophobicContact CZ-CB 4.11Å; F52-R66 HydrophobicContact CE2-CB 3.85Å; F52-R66 HydrophobicContact CE2-CG 4.49Å; F52-R66 HydrophobicContact CZ-CB 4.16Å; F52-L67 HydrophobicContact CB-CD2 4.03Å; F52-L67 HydrophobicContact CD1-CD1 4.16Å; F52-L67 HydrophobicContact CD1-CD2 3.58Å; F52-L67 HydrophobicContact CD1-CG 3.71Å; F52-L67 HydrophobicContact CE1-CD1 4.18Å; F52-L67 HydrophobicContact CE1-CD2 4.31Å; F52-L67 HydrophobicContact CE1-CG 3.91Å; F52-L67 HydrophobicContact CG-CD2 3.92Å; F52-L67 HydrophobicContact CG-CG 4.31Å; F52-L70 HydrophobicContact CB-CD1 4.28Å; F52-L70 HydrophobicContact CD2-CD1 4.08Å; F52-L70 HydrophobicContact CG-CD1 4.44Å | ||
| 53 | R | 92.8 | Very high | 89.7 | Confident | 174 Ų | 174 | 86.8 Ų | 86.8 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | trans | -113.5 | 142.6 | 177.8 | -57.1 | -169.3 | 174.1 | -177.8 | -1.7 | 110.3 | R51 Q55 E56 | R51-R53 WeakPolarHBondContact O-CG 3.45Å; R51-R53 PolarHBondContact O-N 3.03Å; R53-Q55 PolarHBondContact O-N 3.33Å; R53-Q55 VanDerWaalsContact O-N 3.1Å; R53-E56 HydrophobicContact CB-CG 4.34Å; R53-E56 PolarHBondContact N-OE2 3.43Å; R53-E56 WeakPolarHBondContact O-CB 3.34Å; R53-E56 PolarHBondContact O-N 3.25Å | ||
| 54 | Y | 90.8 | Very high | 90.8 | Very high | 133 Ų | 133 | 88.3 Ų | 88.3 | 52% | 0.522 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -57.2 | -30.6 | 178.8 | -173 | -97.7 | 0 | 0 | 0 | 113.1 | E56 A57 P60 A63 | Y54-E56 PolarHBondContact O-N 3.26Å; Y54-A57 PolarHBondContact O-N 3.04Å; Y54-A57 VanDerWaalsContact O-N 3.12Å; Y54-P60 HydrophobicContact CE2-CB 4.18Å; Y54-P60 WeakPolarHBondContact OH-CB 3.34Å; Y54-P60 WeakPolarHBondContact OH-CD 3.31Å; Y54-A63 HydrophobicContact CD2-CB 3.92Å; Y54-A63 HydrophobicContact CE2-CB 3.96Å |
| 55 | Q | 91.8 | Very high | 91.6 | Very high | 157 Ų | 157 | 88.9 Ų | 88.9 | 73% | 0.734 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -65 | -16.3 | 177.9 | -62 | 83.5 | 8.6 | 0 | 0 | 113.9 | R53 A57 | R53-Q55 PolarHBondContact O-N 3.33Å; R53-Q55 VanDerWaalsContact O-N 3.1Å; Q55-A57 PolarHBondContact O-N 3.06Å |
| 56 | E | 87.2 | Confident | 92.1 | Very high | 130 Ų | 130 | 94.7 Ų | 94.7 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -78 | -9.1 | 176.2 | -61.4 | 175.9 | 80.1 | 0 | 0 | 112.4 | F52 R53 Y54 | F52-E56 HydrophobicContact CE2-CB 4.22Å; R53-E56 HydrophobicContact CB-CG 4.34Å; R53-E56 PolarHBondContact N-OE2 3.43Å; R53-E56 WeakPolarHBondContact O-CB 3.34Å; R53-E56 PolarHBondContact O-N 3.25Å; Y54-E56 PolarHBondContact O-N 3.26Å |
| 57 | A | 91.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 95.3 Ų | 95.3 | 12% | 0.124 | 44% | 0.442 | C | S | . | . | trans | -112.4 | 145.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F52 Y54 Q55 S59 E62 A63 | F52-A57 HydrophobicContact CZ-CB 4.25Å; Y54-A57 PolarHBondContact O-N 3.04Å; Y54-A57 VanDerWaalsContact O-N 3.12Å; Q55-A57 PolarHBondContact O-N 3.06Å; A57-S59 VanDerWaalsContact C-N 3.35Å; A57-E62 HydrophobicContact CB-CB 4.36Å; A57-E62 HydrophobicContact CB-CG 4.33Å; A57-A63 HydrophobicContact CB-CB 3.63Å | ||
| 58 | S | 89.9 | Confident | 92.8 | Very high | 112 Ų | 112 | 100 Ų | 100 | 78% | 0.783 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -82.3 | -17.3 | 179.8 | -34.3 | 0 | 0 | 0 | 0 | 112.4 | E62 | S58-E62 WeakPolarHBondContact CA-OE2 3.33Å; S58-E62 WeakPolarHBondContact CB-OE2 3.24Å; S58-E62 PolarHBondContact N-OE2 3.43Å; S58-E62 PolarHBondContact OG-OE2 2.9Å |
| 59 | S | 94.8 | Very high | 93 | Very high | 46 Ų | 46 | 100.3 Ų | 100.3 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -151.9 | 158.6 | -179.4 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | A57 R61 E62 A63 | A57-S59 VanDerWaalsContact C-N 3.35Å; S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 3.01Å; S59-E62 PolarHBondContact O-N 3.21Å; S59-E62 VanDerWaalsContact OG-CB 3.28Å; S59-E62 WeakPolarHBondContact OG-CB 3.36Å; S59-E62 PolarHBondContact OG-N 3.41Å; S59-E62 VanDerWaalsContact OG-N 3.07Å; S59-A63 PolarHBondContact O-N 2.77Å |
| 60 | P | 95.3 | Very high | 93 | Very high | 88 Ų | 88 | 99.7 Ų | 99.7 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -32.9 | 176.2 | 23.4 | -32.2 | 0 | 0 | 0 | 113.2 | Y54 A63 L64 | Y54-P60 HydrophobicContact CE2-CB 4.18Å; Y54-P60 WeakPolarHBondContact OH-CB 3.34Å; Y54-P60 WeakPolarHBondContact OH-CD 3.31Å; P60-A63 PolarHBondContact O-N 3.34Å; P60-L64 PolarHBondContact O-N 3.42Å |
| 61 | R | 96.3 | Very high | 93 | Very high | 197 Ų | 197 | 94.6 Ų | 94.6 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 175.5 | 179.8 | 172.5 | -93.7 | -100.2 | 4 | 110.9 | S59 L64 I65 | S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 3.01Å; R61-L64 PolarHBondContact O-N 3.47Å; R61-I65 HydrophobicContact CG-CD1 4.04Å; R61-I65 VanDerWaalsContact O-CG1 3.31Å; R61-I65 WeakPolarHBondContact O-CG1 3.22Å; R61-I65 PolarHBondContact O-N 2.85Å |
| 62 | E | 95.4 | Very high | 93 | Very high | 58 Ų | 58 | 91.5 Ų | 91.5 | 27% | 0.271 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.4 | -175 | 178.9 | -170.5 | 0 | 0 | 111.4 | A57 S58 S59 L64 I65 R66 | A57-E62 HydrophobicContact CB-CB 4.36Å; A57-E62 HydrophobicContact CB-CG 4.33Å; S58-E62 WeakPolarHBondContact CA-OE2 3.33Å; S58-E62 WeakPolarHBondContact CB-OE2 3.24Å; S58-E62 PolarHBondContact N-OE2 3.43Å; S58-E62 PolarHBondContact OG-OE2 2.9Å; S59-E62 PolarHBondContact O-N 3.21Å; S59-E62 VanDerWaalsContact OG-CB 3.28Å; S59-E62 WeakPolarHBondContact OG-CB 3.36Å; S59-E62 PolarHBondContact OG-N 3.41Å; S59-E62 VanDerWaalsContact OG-N 3.07Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.05Å; E62-I65 PolarHBondContact O-N 3.12Å; E62-R66 HydrophobicContact CG-CG 4.41Å; E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-N 2.96Å |
| 63 | A | 94.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 94.1 Ų | 94.1 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F52 Y54 A57 S59 P60 R66 L67 | F52-A63 HydrophobicContact CE1-CB 4.13Å; F52-A63 HydrophobicContact CZ-CB 4.11Å; Y54-A63 HydrophobicContact CD2-CB 3.92Å; Y54-A63 HydrophobicContact CE2-CB 3.96Å; A57-A63 HydrophobicContact CB-CB 3.63Å; S59-A63 PolarHBondContact O-N 2.77Å; P60-A63 PolarHBondContact O-N 3.34Å; A63-R66 PolarHBondContact O-N 3.43Å; A63-L67 WeakPolarHBondContact O-CB 3.49Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 2.97Å |
| 64 | L | 95.1 | Very high | 92.7 | Very high | 90 Ų | 90 | 86.4 Ų | 86.4 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 177.6 | -178.3 | 62.7 | 0 | 0 | 0 | 112.3 | P60 R61 E62 L67 R68 | P60-L64 PolarHBondContact O-N 3.42Å; R61-L64 PolarHBondContact O-N 3.47Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.05Å; L64-L67 PolarHBondContact O-N 3.1Å; L64-R68 WeakPolarHBondContact O-CG 3.49Å; L64-R68 PolarHBondContact O-N 2.91Å |
| 65 | I | 95.1 | Very high | 92.7 | Very high | 85 Ų | 85 | 81 Ų | 81 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 177.2 | -68.9 | 164.1 | 0 | 0 | 0 | 109.9 | R61 E62 L67 R68 E69 | R61-I65 HydrophobicContact CG-CD1 4.04Å; R61-I65 VanDerWaalsContact O-CG1 3.31Å; R61-I65 WeakPolarHBondContact O-CG1 3.22Å; R61-I65 PolarHBondContact O-N 2.85Å; E62-I65 PolarHBondContact O-N 3.12Å; I65-L67 PolarHBondContact O-N 3.12Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.35Å; I65-R68 VanDerWaalsContact O-N 3.1Å; I65-E69 WeakPolarHBondContact O-CG 3.34Å; I65-E69 PolarHBondContact O-N 2.69Å |
| 66 | R | 93.2 | Very high | 92.5 | Very high | 127 Ų | 127 | 75.8 Ų | 75.8 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.7 | -69.7 | -65.4 | -169.8 | 172.3 | 3.1 | 112.6 | F52 E62 A63 R68 E69 L70 | F52-R66 HydrophobicContact CE2-CB 3.85Å; F52-R66 HydrophobicContact CE2-CG 4.49Å; F52-R66 HydrophobicContact CZ-CB 4.16Å; E62-R66 HydrophobicContact CG-CG 4.41Å; E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-N 2.96Å; A63-R66 PolarHBondContact O-N 3.43Å; R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 2.9Å; R66-E69 WeakPolarHBondContact CD-OE2 3.46Å; R66-E69 PolarHBondContact O-N 3.49Å; R66-L70 WeakPolarHBondContact O-CB 3.33Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.26Å; R66-L70 PolarHBondContact O-N 3.19Å |
| 67 | L | 94.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.293 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -40 | 175.7 | -79.7 | 168.7 | 0 | 0 | 0 | 112.1 | F49 F52 A63 L64 I65 C71 | F49-L67 HydrophobicContact CD2-CD2 4.05Å; F49-L67 WeakPolarHBondContact CD2-O 3.44Å; F49-L67 HydrophobicContact CE2-CB 4.39Å; F49-L67 HydrophobicContact CE2-CD2 3.85Å; F49-L67 WeakPolarHBondContact CE2-O 3.24Å; F52-L67 HydrophobicContact CB-CD2 4.03Å; F52-L67 HydrophobicContact CD1-CD1 4.16Å; F52-L67 HydrophobicContact CD1-CD2 3.58Å; F52-L67 HydrophobicContact CD1-CG 3.71Å; F52-L67 HydrophobicContact CE1-CD1 4.18Å; F52-L67 HydrophobicContact CE1-CD2 4.31Å; F52-L67 HydrophobicContact CE1-CG 3.91Å; F52-L67 HydrophobicContact CG-CD2 3.92Å; F52-L67 HydrophobicContact CG-CG 4.31Å; A63-L67 WeakPolarHBondContact O-CB 3.49Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 2.97Å; L64-L67 PolarHBondContact O-N 3.1Å; I65-L67 PolarHBondContact O-N 3.12Å; L67-C71 WeakPolarHBondContact O-CB 3.45Å; L67-C71 PolarHBondContact O-N 2.76Å |
| 68 | R | 93.9 | Very high | 92.6 | Very high | 164 Ų | 164 | 78 Ų | 78 | 62% | 0.619 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 176.3 | -74.1 | 175 | 175.3 | -153.8 | -1.4 | 111.9 | L64 I65 R66 C71 H72 | L64-R68 WeakPolarHBondContact O-CG 3.49Å; L64-R68 PolarHBondContact O-N 2.91Å; I65-R68 WeakPolarHBondContact O-CB 3.35Å; I65-R68 PolarHBondContact O-N 3.35Å; I65-R68 VanDerWaalsContact O-N 3.1Å; R66-R68 VanDerWaalsContact C-N 3.32Å; R66-R68 PolarHBondContact O-N 2.9Å; R68-C71 PolarHBondContact O-N 2.69Å; R68-H72 PolarHBondContact O-N 3.41Å |
| 69 | E | 93.1 | Very high | 92.5 | Very high | 84 Ų | 84 | 79.4 Ų | 79.4 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.5 | -68.9 | 174.3 | 104.6 | 0 | 0 | 111.7 | I65 R66 C71 H72 Q73 | I65-E69 WeakPolarHBondContact O-CG 3.34Å; I65-E69 PolarHBondContact O-N 2.69Å; R66-E69 WeakPolarHBondContact CD-OE2 3.46Å; R66-E69 PolarHBondContact O-N 3.49Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 2.66Å; E69-H72 PolarHBondContact O-N 3.42Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.11Å |
| 70 | L | 92.6 | Very high | 92.2 | Very high | 27 Ų | 27 | 79.6 Ų | 79.6 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 177.2 | -70.8 | 171.6 | 0 | 0 | 0 | 111.7 | N48 F49 F52 R66 Q73 W74 | N48-L70 HydrophobicContact CB-CD2 3.77Å; F49-L70 HydrophobicContact CB-CB 3.98Å; F49-L70 HydrophobicContact CD2-CB 3.91Å; F49-L70 HydrophobicContact CG-CB 4.45Å; F52-L70 HydrophobicContact CB-CD1 4.28Å; F52-L70 HydrophobicContact CD2-CD1 4.08Å; F52-L70 HydrophobicContact CG-CD1 4.44Å; R66-L70 WeakPolarHBondContact O-CB 3.33Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.26Å; R66-L70 PolarHBondContact O-N 3.19Å; L70-Q73 PolarHBondContact O-N 3.18Å; L70-W74 WeakPolarHBondContact O-CB 3.47Å; L70-W74 PolarHBondContact O-N 2.7Å |
| 71 | C | 91.2 | Very high | 92.2 | Very high | 33 Ų | 33 | 78.7 Ų | 78.7 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | F49 L67 R68 E69 W74 L75 | F49-C71 HydrophobicContact CD2-CB 4.01Å; F49-C71 HydrophobicContact CE2-CB 3.71Å; F49-C71 HydrophobicContact CZ-CB 4.31Å; L67-C71 WeakPolarHBondContact O-CB 3.45Å; L67-C71 PolarHBondContact O-N 2.76Å; R68-C71 PolarHBondContact O-N 2.69Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 2.66Å; C71-W74 PolarHBondContact O-N 2.97Å; C71-L75 WeakPolarHBondContact O-CB 3.27Å; C71-L75 PolarHBondContact O-N 2.95Å; C71-L75 VanDerWaalsContact SG-CD1 3.57Å |
| 72 | H | 91.4 | Very high | 92.1 | Very high | 100 Ų | 100 | 76.4 Ų | 76.4 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.5 | -88.5 | -146.1 | 0 | 0 | 0 | 112.1 | R68 E69 W74 R76 E78 | R68-H72 PolarHBondContact O-N 3.41Å; E69-H72 PolarHBondContact O-N 3.42Å; H72-W74 VanDerWaalsContact C-N 3.27Å; H72-W74 PolarHBondContact O-N 3.25Å; H72-R76 VanDerWaalsContact O-CA 3.23Å; H72-R76 WeakPolarHBondContact O-CA 3.43Å; H72-R76 PolarHBondContact O-N 2.83Å; H72-E78 IonicContact ND1-OE1 3.18Å |
| 73 | Q | 89.6 | Confident | 92 | Very high | 95 Ų | 95 | 79.4 Ų | 79.4 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 177.8 | -70.9 | 170.6 | 36.1 | 0 | 0 | 112.2 | E69 L70 R76 | E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.45Å; E69-Q73 PolarHBondContact O-N 3.11Å; L70-Q73 PolarHBondContact O-N 3.18Å; Q73-R76 WeakPolarHBondContact O-CG 3.43Å |
| 74 | W | 89.6 | Confident | 91.8 | Very high | 12 Ų | 12 | 83.7 Ų | 83.7 | 5% | 0.045 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.3 | -54.7 | 175.3 | 172.7 | 34.5 | 0 | 0 | 0 | 112.5 | L42 H46 F49 L70 C71 H72 R80 L89 | L42-W74 WeakPolarHBondContact CD1-O 3.47Å; H46-W74 HydrophobicContact CB-CD2 4.33Å; H46-W74 HydrophobicContact CB-CG 3.95Å; H46-W74 AromaticContact CD2-CD2 3.61Å; H46-W74 AromaticContact CD2-CE2 3.14Å; H46-W74 AromaticContact CD2-CH2 3.81Å; H46-W74 AromaticContact CD2-CZ2 3.27Å; H46-W74 WeakPolarHBondContact CD2-CZ2 3.46Å; H46-W74 AromaticContact CD2-NE1 3.44Å; H46-W74 PolarHBondContact CD2-NE1 2.95Å; H46-W74 AromaticContact CG-CD1 3.97Å; H46-W74 AromaticContact CG-CE2 3.79Å; H46-W74 AromaticContact CG-NE1 3.58Å; H46-W74 AromaticContact NE2-CE2 3.81Å; H46-W74 AromaticContact NE2-CH2 3.92Å; H46-W74 AromaticContact NE2-CZ2 3.45Å; H46-W74 WeakPolarHBondContact NE2-CZ2 3.29Å; F49-W74 AromaticContact CD1-CE3 3.76Å; F49-W74 HydrophobicContact CD1-CE3 3.76Å; F49-W74 AromaticContact CD1-CZ3 3.75Å; F49-W74 HydrophobicContact CD1-CZ3 3.75Å; F49-W74 HydrophobicContact CE1-CE3 4.2Å; F49-W74 AromaticContact CE1-CZ3 3.87Å; F49-W74 HydrophobicContact CE1-CZ3 3.87Å; F49-W74 HydrophobicContact CG-CE3 4.3Å; L70-W74 WeakPolarHBondContact O-CB 3.47Å; L70-W74 PolarHBondContact O-N 2.7Å; C71-W74 PolarHBondContact O-N 2.97Å; H72-W74 VanDerWaalsContact C-N 3.27Å; H72-W74 PolarHBondContact O-N 3.25Å; W74-R80 PolarHBondContact O-NH1 3.43Å; W74-L89 HydrophobicContact CH2-CD2 3.44Å; W74-L89 VanDerWaalsContact CH2-CD2 3.44Å; W74-L89 HydrophobicContact CZ2-CD2 4.11Å; W74-L89 HydrophobicContact CZ3-CD2 4.05Å |
| 75 | L | 89.7 | Confident | 91.6 | Very high | 20 Ų | 20 | 80.9 Ų | 80.9 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -81.9 | -24.3 | -172.3 | -61.8 | -180 | 0 | 0 | 0 | 112.8 | C71 R80 I85 L89 | C71-L75 WeakPolarHBondContact O-CB 3.27Å; C71-L75 PolarHBondContact O-N 2.95Å; C71-L75 VanDerWaalsContact SG-CD1 3.57Å; L75-R80 VanDerWaalsContact O-CD 3.3Å; L75-R80 WeakPolarHBondContact O-CD 3.47Å; L75-R80 PolarHBondContact O-NH1 3.46Å; L75-I85 HydrophobicContact CB-CG1 4.42Å; L75-I85 HydrophobicContact CD1-CG2 3.94Å; L75-I85 HydrophobicContact CD2-CG2 4.19Å; L75-I85 HydrophobicContact CG-CG2 4.49Å; L75-L89 HydrophobicContact CD2-CD2 4.42Å |
| 76 | R | 89.4 | Confident | 91.5 | Very high | 47 Ų | 47 | 81 Ų | 81 | 18% | 0.177 | 37% | 0.371 | C | S | . | . | trans | 44 | 61.5 | -174.4 | -54.3 | -178.7 | 176.6 | 177 | -3.5 | 111.7 | L42 H72 Q73 E78 R79 R80 | L42-R76 HydrophobicContact CD1-CG 4.29Å; H72-R76 VanDerWaalsContact O-CA 3.23Å; H72-R76 WeakPolarHBondContact O-CA 3.43Å; H72-R76 PolarHBondContact O-N 2.83Å; Q73-R76 WeakPolarHBondContact O-CG 3.43Å; R76-E78 PolarHBondContact O-N 3.3Å; R76-R79 HydrophobicContact CB-CB 4.36Å; R76-R79 PolarHBondContact O-N 2.85Å; R76-R80 PolarHBondContact O-N 2.92Å | ||
| 77 | P | 89.2 | Confident | 91.4 | Very high | 52 Ų | 52 | 79.5 Ų | 79.5 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18 | -178.2 | 26.4 | -35.4 | 0 | 0 | 0 | 113.6 | R79 I85 | P77-R79 VanDerWaalsContact C-N 3.31Å; P77-I85 HydrophobicContact CB-CD1 4.21Å |
| 78 | E | 91.2 | Very high | 91.2 | Very high | 139 Ų | 139 | 78.2 Ų | 78.2 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.8 | 174.2 | -53.9 | 78.7 | -172.6 | 0 | 0 | 112.8 | H72 R76 | H72-E78 IonicContact ND1-OE1 3.18Å; R76-E78 PolarHBondContact O-N 3.3Å |
| 79 | R | 87.4 | Confident | 91.1 | Very high | 142 Ų | 142 | 73.3 Ų | 73.3 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -12.7 | -177.7 | -61.7 | -175.6 | 70.9 | 165.1 | 4.6 | 113.2 | E36 R76 P77 | E36-R79 IonicContact OE1-CZ 3.05Å; E36-R79 IonicContact OE1-NH1 2.69Å; E36-R79 PolarHBondContact OE1-NH1 3.29Å; E36-R79 IonicContact OE1-NH2 3.33Å; E36-R79 PolarHBondContact OE1-NH2 3.48Å; E36-R79 IonicContact OE2-CZ 3.21Å; E36-R79 IonicContact OE2-NH1 3.75Å; E36-R79 IonicContact OE2-NH2 3.78Å; E36-R79 PolarHBondContact OE2-NH2 2.89Å; R76-R79 HydrophobicContact CB-CB 4.36Å; R76-R79 PolarHBondContact O-N 2.85Å; P77-R79 VanDerWaalsContact C-N 3.31Å |
| 80 | R | 89 | Confident | 91.1 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -121.4 | 139 | -173.1 | -63.4 | -164.2 | 177.8 | 94.2 | -4.8 | 112.6 | D38 W74 L75 R76 Q84 I85 | D38-R80 IonicContact OD2-NH2 3.47Å; W74-R80 PolarHBondContact O-NH1 3.43Å; L75-R80 VanDerWaalsContact O-CD 3.3Å; L75-R80 WeakPolarHBondContact O-CD 3.47Å; L75-R80 PolarHBondContact O-NH1 3.46Å; R76-R80 PolarHBondContact O-N 2.92Å; R80-Q84 VanDerWaalsContact CA-OE1 3.25Å; R80-Q84 HydrophobicContact CB-CB 4.19Å; R80-I85 HydrophobicContact CB-CG1 4.02Å |
| 81 | T | 93.9 | Very high | 91.1 | Very high | 70 Ų | 70 | 72.3 Ų | 72.3 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | trans | -72.9 | 164.7 | 171.6 | 73.1 | 0 | 0 | 0 | 0 | 111 | E83 Q84 I85 | T81-E83 VanDerWaalsContact C-N 3.25Å; T81-E83 PolarHBondContact O-N 3.33Å; T81-E83 PolarHBondContact OG1-OE2 3.32Å; T81-Q84 VanDerWaalsContact N-OE1 3.12Å; T81-Q84 PolarHBondContact O-N 2.98Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.15Å; T81-Q84 PolarHBondContact OG1-N 3.43Å; T81-I85 WeakPolarHBondContact O-CG1 3.38Å; T81-I85 PolarHBondContact O-N 3.13Å | ||
| 82 | K | 94.6 | Very high | 91 | Very high | 148 Ų | 148 | 71.9 Ų | 71.9 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.3 | -43.8 | 175.9 | -176.7 | -175.1 | 177.3 | -175.5 | 0 | 111.5 | I85 L86 | K82-I85 WeakPolarHBondContact O-CB 2.98Å; K82-I85 PolarHBondContact O-N 3.35Å; K82-L86 HydrophobicContact CG-CD1 4.44Å; K82-L86 WeakPolarHBondContact O-CG 3.33Å; K82-L86 PolarHBondContact O-N 2.9Å |
| 83 | E | 93.8 | Very high | 91.1 | Very high | 121 Ų | 121 | 72.3 Ų | 72.3 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | -179.4 | -63.9 | 66.5 | -141.2 | 0 | 0 | 110.7 | T81 I85 L86 E87 | T81-E83 VanDerWaalsContact C-N 3.25Å; T81-E83 PolarHBondContact O-N 3.33Å; T81-E83 PolarHBondContact OG1-OE2 3.32Å; E83-I85 VanDerWaalsContact C-N 3.33Å; E83-I85 PolarHBondContact O-N 3.44Å; E83-L86 PolarHBondContact O-N 3.5Å; E83-E87 WeakPolarHBondContact O-CG 3.46Å; E83-E87 PolarHBondContact O-N 3.22Å |
| 84 | Q | 89.4 | Confident | 91.1 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.9 | -69.1 | 171.3 | -3.2 | 0 | 0 | 112.3 | R80 T81 E87 L88 | R80-Q84 VanDerWaalsContact CA-OE1 3.25Å; R80-Q84 HydrophobicContact CB-CB 4.19Å; T81-Q84 VanDerWaalsContact N-OE1 3.12Å; T81-Q84 PolarHBondContact O-N 2.98Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.15Å; T81-Q84 PolarHBondContact OG1-N 3.43Å; Q84-E87 PolarHBondContact O-N 3.37Å; Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.26Å |
| 85 | I | 91.2 | Very high | 91.1 | Very high | 32 Ų | 32 | 71.1 Ų | 71.1 | 16% | 0.164 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 174 | -70.2 | 169.3 | 0 | 0 | 0 | 110.5 | L75 P77 R80 T81 K82 E83 E87 L88 L89 | L75-I85 HydrophobicContact CB-CG1 4.42Å; L75-I85 HydrophobicContact CD1-CG2 3.94Å; L75-I85 HydrophobicContact CD2-CG2 4.19Å; L75-I85 HydrophobicContact CG-CG2 4.49Å; P77-I85 HydrophobicContact CB-CD1 4.21Å; R80-I85 HydrophobicContact CB-CG1 4.02Å; T81-I85 WeakPolarHBondContact O-CG1 3.38Å; T81-I85 PolarHBondContact O-N 3.13Å; K82-I85 WeakPolarHBondContact O-CB 2.98Å; K82-I85 PolarHBondContact O-N 3.35Å; E83-I85 VanDerWaalsContact C-N 3.33Å; E83-I85 PolarHBondContact O-N 3.44Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.23Å; I85-L88 PolarHBondContact O-N 3.23Å; I85-L89 HydrophobicContact CG2-CD1 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.39Å; I85-L89 PolarHBondContact O-N 3.38Å; I85-L89 VanDerWaalsContact O-N 3.08Å |
| 86 | L | 93.7 | Very high | 91 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.9 | -67.7 | 174.9 | 0 | 0 | 0 | 111.2 | K82 E83 L88 L89 V90 | K82-L86 HydrophobicContact CG-CD1 4.44Å; K82-L86 WeakPolarHBondContact O-CG 3.33Å; K82-L86 PolarHBondContact O-N 2.9Å; E83-L86 PolarHBondContact O-N 3.5Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.92Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.24Å; L86-L89 VanDerWaalsContact O-N 3.12Å; L86-V90 VanDerWaalsContact O-CG2 3.3Å; L86-V90 WeakPolarHBondContact O-CG2 3.46Å; L86-V90 PolarHBondContact O-N 2.92Å |
| 87 | E | 91.8 | Very high | 91.1 | Very high | 95 Ų | 95 | 75.5 Ų | 75.5 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.8 | -73.3 | -62.8 | 98.5 | 0 | 0 | 112.4 | E83 Q84 I85 L89 V90 L91 | E83-E87 WeakPolarHBondContact O-CG 3.46Å; E83-E87 PolarHBondContact O-N 3.22Å; Q84-E87 PolarHBondContact O-N 3.37Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.23Å; E87-L89 PolarHBondContact O-N 2.83Å; E87-V90 PolarHBondContact O-N 2.8Å; E87-L91 WeakPolarHBondContact O-CB 3.38Å; E87-L91 PolarHBondContact O-N 2.89Å |
| 88 | L | 90.2 | Very high | 91.1 | Very high | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 172.8 | -79.2 | 171.9 | 0 | 0 | 0 | 112.4 | Q84 I85 L86 L91 E92 | Q84-L88 WeakPolarHBondContact O-CG 3.3Å; Q84-L88 PolarHBondContact O-N 3.26Å; I85-L88 PolarHBondContact O-N 3.23Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 2.93Å; L88-E92 PolarHBondContact O-N 2.88Å |
| 89 | L | 91.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 71.3 Ų | 71.3 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175.8 | -64.5 | 176.6 | 0 | 0 | 0 | 111.6 | W74 L75 I85 L86 E87 E92 Q93 | W74-L89 HydrophobicContact CH2-CD2 3.44Å; W74-L89 VanDerWaalsContact CH2-CD2 3.44Å; W74-L89 HydrophobicContact CZ2-CD2 4.11Å; W74-L89 HydrophobicContact CZ3-CD2 4.05Å; L75-L89 HydrophobicContact CD2-CD2 4.42Å; I85-L89 HydrophobicContact CG2-CD1 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.39Å; I85-L89 PolarHBondContact O-N 3.38Å; I85-L89 VanDerWaalsContact O-N 3.08Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.24Å; L86-L89 VanDerWaalsContact O-N 3.12Å; E87-L89 PolarHBondContact O-N 2.83Å; L89-E92 PolarHBondContact O-N 2.69Å; L89-Q93 WeakPolarHBondContact O-CB 3.46Å; L89-Q93 PolarHBondContact O-N 3.12Å |
| 90 | V | 93.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L86 E87 Q93 F94 | L86-V90 VanDerWaalsContact O-CG2 3.3Å; L86-V90 WeakPolarHBondContact O-CG2 3.46Å; L86-V90 PolarHBondContact O-N 2.92Å; E87-V90 PolarHBondContact O-N 2.8Å; V90-Q93 PolarHBondContact O-N 3.08Å; V90-F94 WeakPolarHBondContact O-CB 3.43Å; V90-F94 PolarHBondContact O-N 3Å |
| 91 | L | 90.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.7 | 170.4 | 61.1 | 0 | 0 | 0 | 111.3 | E87 L88 Q93 F94 L95 P111 A117 | E87-L91 WeakPolarHBondContact O-CB 3.38Å; E87-L91 PolarHBondContact O-N 2.89Å; L88-L91 PolarHBondContact O-N 2.93Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.2Å; L91-F94 WeakPolarHBondContact O-CB 3.06Å; L91-F94 PolarHBondContact O-N 3.49Å; L91-L95 HydrophobicContact CD1-CD1 4.07Å; L91-L95 HydrophobicContact CD1-CD2 4.45Å; L91-L95 HydrophobicContact CD1-CG 4.01Å; L91-L95 HydrophobicContact CG-CD1 4.27Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.5Å; L91-L95 PolarHBondContact O-N 2.9Å; L91-P111 HydrophobicContact CD1-CG 4.16Å; L91-P111 WeakPolarHBondContact CD2-O 3.37Å; L91-A117 HydrophobicContact CD1-CB 3.73Å |
| 92 | E | 90.6 | Very high | 89.8 | Confident | 25 Ų | 25 | 71 Ų | 71 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 175.5 | -179.8 | -164.2 | -140.5 | 0 | 0 | 110.7 | H46 R50 L88 L89 F94 L95 T96 | H46-E92 IonicContact CD2-OE1 3.56Å; H46-E92 IonicContact CE1-OE1 2.98Å; H46-E92 IonicContact NE2-OE1 2.86Å; H46-E92 PolarHBondContact NE2-OE1 3.4Å; R50-E92 IonicContact CZ-OE1 3.89Å; R50-E92 IonicContact CZ-OE2 2.81Å; R50-E92 IonicContact NE-OE1 4Å; R50-E92 PolarHBondContact NE-OE1 3.48Å; R50-E92 IonicContact NE-OE2 3.43Å; R50-E92 VanDerWaalsContact NH2-CD 3.31Å; R50-E92 IonicContact NH2-OE1 2.87Å; R50-E92 PolarHBondContact NH2-OE1 3.49Å; R50-E92 IonicContact NH2-OE2 3.06Å; R50-E92 PolarHBondContact NH2-OE2 3.29Å; L88-E92 PolarHBondContact O-N 2.88Å; L89-E92 PolarHBondContact O-N 2.69Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 PolarHBondContact O-N 2.99Å; E92-L95 PolarHBondContact O-N 3.43Å; E92-T96 WeakPolarHBondContact O-CG2 3.49Å; E92-T96 PolarHBondContact O-N 3.41Å |
| 93 | Q | 92.2 | Very high | 89.5 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 179.3 | -173.9 | 58.4 | 54.6 | 0 | 0 | 111.1 | L89 V90 L91 L95 T96 V97 | L89-Q93 WeakPolarHBondContact O-CB 3.46Å; L89-Q93 PolarHBondContact O-N 3.12Å; V90-Q93 PolarHBondContact O-N 3.08Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.2Å; Q93-L95 PolarHBondContact O-N 3.41Å; Q93-T96 PolarHBondContact NE2-OG1 3.46Å; Q93-T96 PolarHBondContact O-N 3.3Å; Q93-T96 PolarHBondContact O-OG1 3.33Å; Q93-V97 VanDerWaalsContact NE2-CG1 3.32Å; Q93-V97 PolarHBondContact O-N 3.3Å; Q93-V97 VanDerWaalsContact O-N 3.09Å |
| 94 | F | 91.4 | Very high | 89.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 25% | 0.25 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 176.4 | -177 | -105.5 | 0 | 0 | 0 | 111.2 | V90 L91 E92 T96 V97 L98 A117 V118 V121 | V90-F94 WeakPolarHBondContact O-CB 3.43Å; V90-F94 PolarHBondContact O-N 3Å; L91-F94 WeakPolarHBondContact O-CB 3.06Å; L91-F94 PolarHBondContact O-N 3.49Å; E92-F94 VanDerWaalsContact C-N 3.33Å; E92-F94 PolarHBondContact O-N 2.99Å; F94-T96 PolarHBondContact O-N 2.88Å; F94-V97 WeakPolarHBondContact O-CG2 3.31Å; F94-V97 PolarHBondContact O-N 3.44Å; F94-L98 HydrophobicContact CD1-CD1 4.28Å; F94-L98 HydrophobicContact CE1-CD1 3.96Å; F94-L98 HydrophobicContact CE1-CD2 4.23Å; F94-L98 HydrophobicContact CE1-CG 4.28Å; F94-L98 HydrophobicContact CE2-CD2 4.47Å; F94-L98 HydrophobicContact CZ-CD2 4Å; F94-L98 HydrophobicContact CZ-CG 4.49Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 2.99Å; F94-A117 HydrophobicContact CD1-CB 3.79Å; F94-A117 HydrophobicContact CE1-CB 3.74Å; F94-V118 HydrophobicContact CE1-CG2 4.15Å; F94-V118 HydrophobicContact CE2-CG2 4.17Å; F94-V118 HydrophobicContact CZ-CG2 3.7Å; F94-V121 HydrophobicContact CE1-CG2 4.46Å |
| 95 | L | 88.3 | Confident | 88.9 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -29.1 | 176.8 | -65.3 | 176.5 | 0 | 0 | 0 | 112.7 | L91 E92 Q93 L98 Q103 V106 P111 A117 | L91-L95 HydrophobicContact CD1-CD1 4.07Å; L91-L95 HydrophobicContact CD1-CD2 4.45Å; L91-L95 HydrophobicContact CD1-CG 4.01Å; L91-L95 HydrophobicContact CG-CD1 4.27Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.5Å; L91-L95 PolarHBondContact O-N 2.9Å; E92-L95 PolarHBondContact O-N 3.43Å; Q93-L95 PolarHBondContact O-N 3.41Å; L95-L98 HydrophobicContact CD2-CD1 4.26Å; L95-Q103 WeakPolarHBondContact O-CG 3.28Å; L95-Q103 PolarHBondContact O-NE2 3.44Å; L95-V106 HydrophobicContact CD2-CB 4.15Å; L95-V106 HydrophobicContact CD2-CG1 3.39Å; L95-P111 HydrophobicContact CD1-CG 4.47Å; L95-P111 HydrophobicContact CD2-CG 4.18Å; L95-A117 HydrophobicContact CD2-CB 4.43Å |
| 96 | T | 88.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -77 | -31.1 | 177.2 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | E92 Q93 F94 Q103 | E92-T96 WeakPolarHBondContact O-CG2 3.49Å; E92-T96 PolarHBondContact O-N 3.41Å; Q93-T96 PolarHBondContact NE2-OG1 3.46Å; Q93-T96 PolarHBondContact O-N 3.3Å; Q93-T96 PolarHBondContact O-OG1 3.33Å; F94-T96 PolarHBondContact O-N 2.88Å; T96-Q103 PolarHBondContact O-NE2 2.99Å |
| 97 | V | 91.8 | Very high | 88.4 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -85.2 | -14.7 | -178.6 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | Q93 F94 | Q93-V97 VanDerWaalsContact NE2-CG1 3.32Å; Q93-V97 PolarHBondContact O-N 3.3Å; Q93-V97 VanDerWaalsContact O-N 3.09Å; F94-V97 WeakPolarHBondContact O-CG2 3.31Å; F94-V97 PolarHBondContact O-N 3.44Å |
| 98 | L | 88.8 | Confident | 88 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -61.7 | 140.8 | 176.8 | -74.6 | 175.8 | 0 | 0 | 0 | 111.5 | F94 L95 Q103 V106 V121 | F94-L98 HydrophobicContact CD1-CD1 4.28Å; F94-L98 HydrophobicContact CE1-CD1 3.96Å; F94-L98 HydrophobicContact CE1-CD2 4.23Å; F94-L98 HydrophobicContact CE1-CG 4.28Å; F94-L98 HydrophobicContact CE2-CD2 4.47Å; F94-L98 HydrophobicContact CZ-CD2 4Å; F94-L98 HydrophobicContact CZ-CG 4.49Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 2.99Å; L95-L98 HydrophobicContact CD2-CD1 4.26Å; L98-Q103 HydrophobicContact CB-CB 3.97Å; L98-V106 HydrophobicContact CD1-CB 4.24Å; L98-V106 HydrophobicContact CD1-CG1 4.45Å; L98-V106 HydrophobicContact CD1-CG2 4.02Å; L98-V121 HydrophobicContact CD1-CG2 4.01Å; L98-V121 HydrophobicContact CD2-CG2 4.05Å |
| 99 | P | 87 | Confident | 87.8 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | trans | -66.6 | 147.2 | 176.1 | 27.3 | -32.9 | 0 | 0 | 0 | 111.2 | E101 L102 Q103 | P99-E101 PolarHBondContact O-N 2.68Å; P99-E101 VanDerWaalsContact O-N 3.15Å; P99-L102 HydrophobicContact CG-CB 4.36Å; P99-L102 HydrophobicContact CG-CD1 4.34Å; P99-L102 HydrophobicContact CG-CD2 4.42Å; P99-L102 WeakPolarHBondContact O-CA 2.99Å; P99-L102 WeakPolarHBondContact O-CB 3.37Å; P99-L102 PolarHBondContact O-N 3.31Å; P99-Q103 PolarHBondContact O-N 3.34Å | ||
| 100 | G | 81.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -44.1 | -52.6 | -159.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | L102 Q103 S104 | G100-L102 PolarHBondContact O-N 3.32Å; G100-Q103 PolarHBondContact O-N 3.06Å; G100-S104 PolarHBondContact O-N 3.46Å; G100-S104 PolarHBondContact O-OG 3.38Å |
| 101 | E | 81.8 | Confident | 87 | Confident | 173 Ų | 173 | 66 Ų | 66 | 81% | 0.808 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | -179.3 | -68.9 | -179.8 | 103.3 | 0 | 0 | 112 | P99 W105 | P99-E101 PolarHBondContact O-N 2.68Å; P99-E101 VanDerWaalsContact O-N 3.15Å; E101-W105 WeakPolarHBondContact O-CB 3.31Å; E101-W105 PolarHBondContact O-N 3.35Å; E101-W105 VanDerWaalsContact O-N 3.11Å |
| 102 | L | 83.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67 | -45.6 | 175.3 | -84.7 | 74.8 | 0 | 0 | 0 | 110.5 | P99 G100 S104 W105 V106 V121 L124 | P99-L102 HydrophobicContact CG-CB 4.36Å; P99-L102 HydrophobicContact CG-CD1 4.34Å; P99-L102 HydrophobicContact CG-CD2 4.42Å; P99-L102 WeakPolarHBondContact O-CA 2.99Å; P99-L102 WeakPolarHBondContact O-CB 3.37Å; P99-L102 PolarHBondContact O-N 3.31Å; G100-L102 PolarHBondContact O-N 3.32Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.07Å; L102-W105 PolarHBondContact O-N 2.93Å; L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 VanDerWaalsContact O-CG2 3.23Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 3.27Å; L102-V121 HydrophobicContact CD2-CG1 3.75Å; L102-V121 HydrophobicContact CD2-CG2 4.42Å; L102-L124 HydrophobicContact CG-CD2 4.21Å |
| 103 | Q | 87.3 | Confident | 86.4 | Confident | 39 Ų | 39 | 72 Ų | 72 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 178.2 | 171.9 | 178.5 | 68.8 | 0 | 0 | 111.7 | L95 T96 L98 P99 G100 R107 | L95-Q103 WeakPolarHBondContact O-CG 3.28Å; L95-Q103 PolarHBondContact O-NE2 3.44Å; T96-Q103 PolarHBondContact O-NE2 2.99Å; L98-Q103 HydrophobicContact CB-CB 3.97Å; P99-Q103 PolarHBondContact O-N 3.34Å; G100-Q103 PolarHBondContact O-N 3.06Å; Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.35Å; Q103-R107 VanDerWaalsContact O-CG 3.29Å; Q103-R107 WeakPolarHBondContact O-CG 3.28Å; Q103-R107 PolarHBondContact O-N 3.04Å |
| 104 | S | 85 | Confident | 86.2 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 58% | 0.58 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | -178.6 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | G100 L102 G108 | G100-S104 PolarHBondContact O-N 3.46Å; G100-S104 PolarHBondContact O-OG 3.38Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.07Å; S104-G108 PolarHBondContact O-N 3.35Å; S104-G108 VanDerWaalsContact O-N 3.15Å |
| 105 | W | 86.7 | Confident | 86.1 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 178.7 | -177.6 | 84.3 | 0 | 0 | 0 | 112 | E101 L102 R107 G108 Q109 L120 L124 | E101-W105 WeakPolarHBondContact O-CB 3.31Å; E101-W105 PolarHBondContact O-N 3.35Å; E101-W105 VanDerWaalsContact O-N 3.11Å; L102-W105 PolarHBondContact O-N 2.93Å; W105-R107 PolarHBondContact O-N 3.01Å; W105-G108 PolarHBondContact O-N 2.93Å; W105-G108 VanDerWaalsContact O-N 3.11Å; W105-Q109 HydrophobicContact CH2-CG 4.36Å; W105-Q109 HydrophobicContact CZ2-CG 4.26Å; W105-Q109 PolarHBondContact O-N 2.94Å; W105-L120 HydrophobicContact CH2-CB 4.01Å; W105-L120 HydrophobicContact CH2-CD2 3.96Å; W105-L120 WeakPolarHBondContact CH2-O 3.45Å; W105-L120 HydrophobicContact CZ3-CB 3.67Å; W105-L120 HydrophobicContact CZ3-CD2 4.41Å; W105-L120 VanDerWaalsContact CZ3-O 3.22Å; W105-L120 WeakPolarHBondContact CZ3-O 3.45Å; W105-L124 HydrophobicContact CD2-CD2 4.16Å; W105-L124 HydrophobicContact CE3-CD2 4.04Å; W105-L124 HydrophobicContact CG-CD2 4.44Å; W105-L124 HydrophobicContact CH2-CB 4.44Å; W105-L124 HydrophobicContact CZ3-CB 4.23Å |
| 106 | V | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | L95 L98 L102 G108 Q109 R110 P111 A117 L120 V121 | L95-V106 HydrophobicContact CD2-CB 4.15Å; L95-V106 HydrophobicContact CD2-CG1 3.39Å; L98-V106 HydrophobicContact CD1-CB 4.24Å; L98-V106 HydrophobicContact CD1-CG1 4.45Å; L98-V106 HydrophobicContact CD1-CG2 4.02Å; L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 VanDerWaalsContact O-CG2 3.23Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 3.27Å; V106-G108 PolarHBondContact O-N 3.19Å; V106-Q109 WeakPolarHBondContact O-CB 2.94Å; V106-Q109 PolarHBondContact O-N 3.43Å; V106-R110 PolarHBondContact O-N 3.19Å; V106-P111 HydrophobicContact CG1-CG 3.82Å; V106-P111 VanDerWaalsContact O-CD 3.24Å; V106-P111 WeakPolarHBondContact O-CD 3.06Å; V106-A117 HydrophobicContact CG1-CB 4.14Å; V106-L120 HydrophobicContact CG1-CD1 4.39Å; V106-V121 HydrophobicContact CG2-CG2 3.56Å |
| 107 | R | 85.1 | Confident | 86.2 | Confident | 117 Ų | 117 | 70.9 Ų | 70.9 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -33.5 | 174.2 | -79.4 | -178.6 | 176.3 | 153 | 2.7 | 112.9 | Q103 W105 Q109 R110 | Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.35Å; Q103-R107 VanDerWaalsContact O-CG 3.29Å; Q103-R107 WeakPolarHBondContact O-CG 3.28Å; Q103-R107 PolarHBondContact O-N 3.04Å; W105-R107 PolarHBondContact O-N 3.01Å; R107-Q109 PolarHBondContact O-N 3.1Å; R107-R110 PolarHBondContact O-N 3.44Å |
| 108 | G | 84.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 69 Ų | 69 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.5 | -23.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S104 W105 V106 | S104-G108 PolarHBondContact O-N 3.35Å; S104-G108 VanDerWaalsContact O-N 3.15Å; W105-G108 PolarHBondContact O-N 2.93Å; W105-G108 VanDerWaalsContact O-N 3.11Å; V106-G108 PolarHBondContact O-N 3.19Å |
| 109 | Q | 84.7 | Confident | 86.2 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -88.1 | -12.9 | 176.3 | -58.6 | -53.4 | -67.1 | 0 | 0 | 113.4 | W105 V106 R107 L120 | W105-Q109 HydrophobicContact CH2-CG 4.36Å; W105-Q109 HydrophobicContact CZ2-CG 4.26Å; W105-Q109 PolarHBondContact O-N 2.94Å; V106-Q109 WeakPolarHBondContact O-CB 2.94Å; V106-Q109 PolarHBondContact O-N 3.43Å; R107-Q109 PolarHBondContact O-N 3.1Å; Q109-L120 HydrophobicContact CB-CD1 3.65Å; Q109-L120 HydrophobicContact CB-CD2 4.37Å; Q109-L120 HydrophobicContact CG-CD1 4.21Å; Q109-L120 HydrophobicContact CG-CD2 4.22Å |
| 110 | R | 83.9 | Confident | 86.3 | Confident | 142 Ų | 142 | 70.3 Ų | 70.3 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | trans | 51 | 59.7 | 178.8 | -58.4 | -178.4 | 174.9 | -147.1 | -14.8 | 113.8 | E43 V106 R107 | E43-R110 VanDerWaalsContact CD-CZ 3.45Å; E43-R110 IonicContact OE1-CZ 2.66Å; E43-R110 IonicContact OE1-NE 3.41Å; E43-R110 IonicContact OE1-NH1 3.75Å; E43-R110 IonicContact OE1-NH2 3.76Å; E43-R110 PolarHBondContact OE1-NH2 3.37Å; E43-R110 VanDerWaalsContact OE2-CD 3.26Å; E43-R110 WeakPolarHBondContact OE2-CD 3.24Å; E43-R110 WeakPolarHBondContact OE2-CG 3.23Å; E43-R110 IonicContact OE2-CZ 2.69Å; E43-R110 IonicContact OE2-NE 3.59Å; E43-R110 PolarHBondContact OE2-NE 3.49Å; E43-R110 IonicContact OE2-NH1 3.73Å; E43-R110 PolarHBondContact OE2-NH1 2.92Å; E43-R110 IonicContact OE2-NH2 3.56Å; E43-R110 PolarHBondContact OE2-NH2 3.48Å; V106-R110 PolarHBondContact O-N 3.19Å; R107-R110 PolarHBondContact O-N 3.44Å | ||
| 111 | P | 85.8 | Confident | 86.6 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 8% | 0.078 | 35% | 0.352 | C | S | . | . | trans | -60.4 | 142.3 | 176.9 | 26.6 | -35.1 | 0 | 0 | 0 | 111.2 | L91 L95 V106 E116 A117 L120 | L91-P111 HydrophobicContact CD1-CG 4.16Å; L91-P111 WeakPolarHBondContact CD2-O 3.37Å; L95-P111 HydrophobicContact CD1-CG 4.47Å; L95-P111 HydrophobicContact CD2-CG 4.18Å; V106-P111 HydrophobicContact CG1-CG 3.82Å; V106-P111 VanDerWaalsContact O-CD 3.24Å; V106-P111 WeakPolarHBondContact O-CD 3.06Å; P111-E116 WeakPolarHBondContact CA-OE2 3.36Å; P111-E116 HydrophobicContact CB-CB 4.14Å; P111-E116 HydrophobicContact CB-CG 4.19Å; P111-A117 HydrophobicContact CB-CB 3.9Å; P111-A117 HydrophobicContact CG-CB 3.8Å; P111-L120 HydrophobicContact CB-CD1 4.1Å; P111-L120 HydrophobicContact CG-CD1 4.45Å | ||
| 112 | E | 82.2 | Confident | 86.9 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -93.4 | -18.1 | 179.2 | -61.6 | -177.5 | 91.3 | 0 | 0 | 112 | E116 | E112-E116 PolarHBondContact N-OE2 2.95Š|
| 113 | S | 86.4 | Confident | 87 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -135.1 | 154.3 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | E115 E116 A117 | S113-E115 PolarHBondContact O-N 3.32Å; S113-E115 PolarHBondContact OG-N 2.97Å; S113-E116 WeakPolarHBondContact O-CB 3.31Å; S113-E116 PolarHBondContact O-N 3.26Å; S113-A117 PolarHBondContact O-N 3.31Å |
| 114 | G | 87.8 | Confident | 86.7 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.3 | -38.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E116 A117 V118 | G114-E116 VanDerWaalsContact C-N 3.35Å; G114-E116 PolarHBondContact O-N 2.99Å; G114-A117 PolarHBondContact O-N 3.2Å; G114-V118 WeakPolarHBondContact O-CG2 3.21Å; G114-V118 PolarHBondContact O-N 3.36Å |
| 115 | E | 89.4 | Confident | 86.1 | Confident | 145 Ų | 145 | 68.8 Ų | 68.8 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 178.3 | -64.5 | 173 | 102.7 | 0 | 0 | 112 | S113 V118 T119 | S113-E115 PolarHBondContact O-N 3.32Å; S113-E115 PolarHBondContact OG-N 2.97Å; E115-V118 PolarHBondContact O-N 2.89Å; E115-T119 WeakPolarHBondContact O-CB 3.43Å; E115-T119 PolarHBondContact O-N 3.35Å; E115-T119 PolarHBondContact O-OG1 2.96Å |
| 116 | E | 88.6 | Confident | 85.4 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175 | -168.1 | -167.2 | 158 | 0 | 0 | 110.5 | P111 E112 S113 G114 V118 T119 L120 | P111-E116 WeakPolarHBondContact CA-OE2 3.36Å; P111-E116 HydrophobicContact CB-CB 4.14Å; P111-E116 HydrophobicContact CB-CG 4.19Å; E112-E116 PolarHBondContact N-OE2 2.95Å; S113-E116 WeakPolarHBondContact O-CB 3.31Å; S113-E116 PolarHBondContact O-N 3.26Å; G114-E116 VanDerWaalsContact C-N 3.35Å; G114-E116 PolarHBondContact O-N 2.99Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 2.81Å; E116-T119 WeakPolarHBondContact O-CB 3.49Å; E116-T119 PolarHBondContact O-N 2.79Å; E116-T119 VanDerWaalsContact O-N 3.12Å; E116-L120 WeakPolarHBondContact O-CG 3.35Å; E116-L120 PolarHBondContact O-N 2.89Å |
| 117 | A | 90 | Very high | 84.1 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L91 F94 L95 V106 P111 S113 G114 L120 V121 | L91-A117 HydrophobicContact CD1-CB 3.73Å; F94-A117 HydrophobicContact CD1-CB 3.79Å; F94-A117 HydrophobicContact CE1-CB 3.74Å; L95-A117 HydrophobicContact CD2-CB 4.43Å; V106-A117 HydrophobicContact CG1-CB 4.14Å; P111-A117 HydrophobicContact CB-CB 3.9Å; P111-A117 HydrophobicContact CG-CB 3.8Å; S113-A117 PolarHBondContact O-N 3.31Å; G114-A117 PolarHBondContact O-N 3.2Å; A117-L120 PolarHBondContact O-N 3.02Å; A117-V121 VanDerWaalsContact O-CG2 3.31Å; A117-V121 WeakPolarHBondContact O-CG2 3.31Å; A117-V121 PolarHBondContact O-N 2.87Å |
| 118 | V | 90.5 | Very high | 82.4 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 35% | 0.345 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | F94 G114 E115 E116 L120 V121 E122 | F94-V118 HydrophobicContact CE1-CG2 4.15Å; F94-V118 HydrophobicContact CE2-CG2 4.17Å; F94-V118 HydrophobicContact CZ-CG2 3.7Å; G114-V118 WeakPolarHBondContact O-CG2 3.21Å; G114-V118 PolarHBondContact O-N 3.36Å; E115-V118 PolarHBondContact O-N 2.89Å; E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 2.81Å; V118-L120 VanDerWaalsContact C-N 3.28Å; V118-L120 PolarHBondContact O-N 3.06Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-V121 VanDerWaalsContact O-N 3.12Å; V118-E122 HydrophobicContact CG1-CG 4.27Å; V118-E122 WeakPolarHBondContact O-CG 3.44Å; V118-E122 PolarHBondContact O-N 2.97Å |
| 119 | T | 90.9 | Very high | 80.9 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.8 | -42.7 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | E115 E116 G123 | E115-T119 WeakPolarHBondContact O-CB 3.43Å; E115-T119 PolarHBondContact O-N 3.35Å; E115-T119 PolarHBondContact O-OG1 2.96Å; E116-T119 WeakPolarHBondContact O-CB 3.49Å; E116-T119 PolarHBondContact O-N 2.79Å; E116-T119 VanDerWaalsContact O-N 3.12Å; T119-G123 PolarHBondContact O-N 3.12Å |
| 120 | L | 88.9 | Confident | 79.5 | Confident | 35 Ų | 35 | 92.7 Ų | 92.7 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 174.7 | -72.4 | 173.6 | 0 | 0 | 0 | 111.5 | W105 V106 Q109 P111 E116 A117 V118 E122 G123 L124 | W105-L120 HydrophobicContact CH2-CB 4.01Å; W105-L120 HydrophobicContact CH2-CD2 3.96Å; W105-L120 WeakPolarHBondContact CH2-O 3.45Å; W105-L120 HydrophobicContact CZ3-CB 3.67Å; W105-L120 HydrophobicContact CZ3-CD2 4.41Å; W105-L120 VanDerWaalsContact CZ3-O 3.22Å; W105-L120 WeakPolarHBondContact CZ3-O 3.45Å; V106-L120 HydrophobicContact CG1-CD1 4.39Å; Q109-L120 HydrophobicContact CB-CD1 3.65Å; Q109-L120 HydrophobicContact CB-CD2 4.37Å; Q109-L120 HydrophobicContact CG-CD1 4.21Å; Q109-L120 HydrophobicContact CG-CD2 4.22Å; P111-L120 HydrophobicContact CB-CD1 4.1Å; P111-L120 HydrophobicContact CG-CD1 4.45Å; E116-L120 WeakPolarHBondContact O-CG 3.35Å; E116-L120 PolarHBondContact O-N 2.89Å; A117-L120 PolarHBondContact O-N 3.02Å; V118-L120 VanDerWaalsContact C-N 3.28Å; V118-L120 PolarHBondContact O-N 3.06Å; L120-E122 PolarHBondContact O-N 3.32Å; L120-G123 PolarHBondContact O-N 3.5Å; L120-L124 PolarHBondContact O-N 3.41Å; L120-L124 VanDerWaalsContact O-N 3.13Å |
| 121 | V | 88.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 91.6 Ų | 91.6 | 9% | 0.085 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 178.6 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | F94 L98 L102 V106 A117 V118 G123 L124 Q125 | F94-V121 HydrophobicContact CE1-CG2 4.46Å; L98-V121 HydrophobicContact CD1-CG2 4.01Å; L98-V121 HydrophobicContact CD2-CG2 4.05Å; L102-V121 HydrophobicContact CD2-CG1 3.75Å; L102-V121 HydrophobicContact CD2-CG2 4.42Å; V106-V121 HydrophobicContact CG2-CG2 3.56Å; A117-V121 VanDerWaalsContact O-CG2 3.31Å; A117-V121 WeakPolarHBondContact O-CG2 3.31Å; A117-V121 PolarHBondContact O-N 2.87Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-V121 VanDerWaalsContact O-N 3.12Å; V121-G123 VanDerWaalsContact C-N 3.35Å; V121-G123 PolarHBondContact O-N 2.98Å; V121-L124 PolarHBondContact O-N 2.85Å; V121-Q125 WeakPolarHBondContact O-CG 3.44Å; V121-Q125 PolarHBondContact O-N 2.86Å; V121-Q125 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 88.1 | Confident | 76.4 | Confident | 88 Ų | 88 | 102.9 Ų | 102.9 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 179 | -71.4 | -163.9 | 166.6 | 0 | 0 | 112.3 | V118 L120 L124 Q125 K126 | V118-E122 HydrophobicContact CG1-CG 4.27Å; V118-E122 WeakPolarHBondContact O-CG 3.44Å; V118-E122 PolarHBondContact O-N 2.97Å; L120-E122 PolarHBondContact O-N 3.32Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 3Å; E122-Q125 PolarHBondContact O-N 2.9Å; E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 VanDerWaalsContact O-CG 3.24Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.87Å; E122-K126 IonicContact OE2-NZ 2.7Å; E122-K126 PolarHBondContact OE2-NZ 2.91Å |
| 123 | G | 84.9 | Confident | 75.2 | Confident | 40 Ų | 40 | 111.8 Ų | 111.8 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T119 L120 V121 Q127 | T119-G123 PolarHBondContact O-N 3.12Å; L120-G123 PolarHBondContact O-N 3.5Å; V121-G123 VanDerWaalsContact C-N 3.35Å; V121-G123 PolarHBondContact O-N 2.98Å; G123-Q127 PolarHBondContact O-N 3.25Å |
| 124 | L | 80.8 | Confident | 74.7 | Confident | 61 Ų | 61 | 115.8 Ų | 115.8 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 175.4 | -171.5 | 67.5 | 0 | 0 | 0 | 112.1 | L102 W105 L120 V121 E122 K126 Q127 | L102-L124 HydrophobicContact CG-CD2 4.21Å; W105-L124 HydrophobicContact CD2-CD2 4.16Å; W105-L124 HydrophobicContact CE3-CD2 4.04Å; W105-L124 HydrophobicContact CG-CD2 4.44Å; W105-L124 HydrophobicContact CH2-CB 4.44Å; W105-L124 HydrophobicContact CZ3-CB 4.23Å; L120-L124 PolarHBondContact O-N 3.41Å; L120-L124 VanDerWaalsContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 2.85Å; E122-L124 VanDerWaalsContact C-N 3.27Å; E122-L124 PolarHBondContact O-N 3Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-Q127 PolarHBondContact O-N 2.78Å |
| 125 | Q | 73.3 | Confident | 74 | Confident | 143 Ų | 143 | 121.2 Ų | 121.2 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.8 | -31.1 | 177.5 | -70.1 | -175.5 | -7.6 | 0 | 0 | 112.9 | V121 E122 Q127 | V121-Q125 WeakPolarHBondContact O-CG 3.44Å; V121-Q125 PolarHBondContact O-N 2.86Å; V121-Q125 VanDerWaalsContact O-N 3.09Å; E122-Q125 PolarHBondContact O-N 2.9Å; Q125-Q127 VanDerWaalsContact C-N 3.29Å |
| 126 | K | 71.6 | Confident | 73.1 | Confident | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -11.5 | 177.2 | -71 | 167.2 | -171 | 162.2 | 0 | 112.9 | E122 L124 P128 | E122-K126 WeakPolarHBondContact O-CB 3.3Å; E122-K126 VanDerWaalsContact O-CG 3.24Å; E122-K126 WeakPolarHBondContact O-CG 3.44Å; E122-K126 PolarHBondContact O-N 2.87Å; E122-K126 IonicContact OE2-NZ 2.7Å; E122-K126 PolarHBondContact OE2-NZ 2.91Å; L124-K126 VanDerWaalsContact C-N 3.33Å; K126-P128 VanDerWaalsContact O-CD 3.31Å; K126-P128 WeakPolarHBondContact O-CD 3.23Å |
| 127 | Q | 60.3 | Low | 72.2 | Confident | 143 Ų | 143 | 122.6 Ų | 122.6 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -70.6 | 117 | 171.1 | -73.7 | -134.9 | 2.1 | 0 | 0 | 110.1 | G123 L124 Q125 R129 | G123-Q127 PolarHBondContact O-N 3.25Å; L124-Q127 PolarHBondContact O-N 2.78Å; Q125-Q127 VanDerWaalsContact C-N 3.29Å; Q127-R129 PolarHBondContact O-N 3.35Å |
| 128 | P | 50.1 | Low | 71.1 | Confident | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -63.3 | 125.3 | 177.5 | 25.6 | -31.1 | 0 | 0 | 0 | 108.2 | K126 R130 | K126-P128 VanDerWaalsContact O-CD 3.31Å; K126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-R130 PolarHBondContact O-N 3.38Å | ||
| 129 | R | 53.5 | Low | 69.8 | Low | 239 Ų | 239 | 135.2 Ų | 135.2 | 90% | 0.902 | 62% | 0.623 | S | S | * | * | trans | -53 | 107.6 | 164.8 | -75.1 | -167.4 | 163.7 | 148 | -1.3 | 106.7 | Q127 | Q127-R129 PolarHBondContact O-N 3.35Š| ||
| 130 | R | 55.6 | Low | 68.3 | Low | 229 Ų | 229 | 138 Ų | 138 | 86% | 0.864 | 63% | 0.626 | S | S | * | * | trans | -52.3 | 127.9 | 179.5 | -69.9 | -165.4 | -179.4 | -157.7 | 2 | 107.4 | P128 R132 | P128-R130 PolarHBondContact O-N 3.38Å; R130-R132 PolarHBondContact O-N 3.49Å; R130-R132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | P | 48.2 | Very low | 66.7 | Low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -60.3 | 121.7 | 176.6 | 23.5 | -30 | 0 | 0 | 0 | 107.2 | R133 | P131-R133 PolarHBondContact O-N 2.97Å; P131-R133 VanDerWaalsContact O-N 3.09Å | ||
| 132 | R | 54.4 | Low | 64.9 | Low | 250 Ų | 250 | 156.9 Ų | 156.9 | 94% | 0.943 | 71% | 0.708 | S | S | * | * | trans | -59.4 | 113.9 | 168.3 | -83 | -174 | 157.3 | 147.7 | -3.1 | 106.4 | R130 | R130-R132 PolarHBondContact O-N 3.49Å; R130-R132 VanDerWaalsContact O-N 3.09Å | ||
| 133 | R | 58.7 | Low | 62.8 | Low | 315 Ų | 315 | 163.2 Ų | 163.2 | 100% | 1.189 | 74% | 0.735 | S | S | * | * | trans | -68.7 | 0 | 168 | -81.8 | -174.3 | 175.9 | -116.8 | 2.3 | 110 | P131 | P131-R133 PolarHBondContact O-N 2.97Å; P131-R133 VanDerWaalsContact O-N 3.09Å |
Retrieved 133 of 133 residues in 101 ms
(Link to these results)