| 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 | 41.6 | Very low | 36.1 | Very low | 238 Ų | 238 | 160.6 Ų | 160.6 | 100% | 1.172 | 88% | 0.88 | S | S | * | * | 0 | 99.6 | 0 | -73.6 | -179.7 | 175 | 0 | 0 | 107.8 | |||||
| 2 | T | 39.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 157.2 Ų | 157.2 | 79% | 0.791 | 88% | 0.876 | S | S | * | * | trans | -154.4 | 114.8 | 173.3 | 38.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | W | 35.3 | Very low | 35.8 | Very low | 253 Ų | 253 | 152.3 Ų | 152.3 | 96% | 0.958 | 86% | 0.86 | S | S | * | * | trans | -99.3 | 124.2 | 176.7 | -91.5 | 50.5 | 0 | 0 | 0 | 108.5 | ||||
| 4 | N | 36.3 | Very low | 35.8 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 81% | 0.813 | 85% | 0.853 | S | S | * | * | trans | -128.9 | 122.5 | 169.7 | -57.8 | 16.2 | 0 | 0 | 0 | 108.2 | ||||
| 5 | S | 39.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | trans | -69.7 | 147.9 | 172.5 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | T | 37.1 | Very low | 36 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -157.6 | 135.4 | 145 | -69.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 7 | M | 34.2 | Very low | 35.8 | Very low | 185 Ų | 185 | 154.4 Ų | 154.4 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | trans | -69.2 | 148.2 | -179.9 | -64.8 | 165.9 | 62.7 | 0 | 0 | 112.3 | ||||
| 8 | S | 34.6 | Very low | 36.1 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -128.1 | 122.2 | 167.8 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | S | 35.5 | Very low | 36.2 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -93.9 | 145.4 | 168.2 | 68 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | G | 30.9 | Very low | 36.3 | Very low | 69 Ų | 69 | 151.5 Ų | 151.5 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 139.9 | 105.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 11 | Y | 33.3 | Very low | 36.3 | Very low | 238 Ų | 238 | 153.1 Ų | 153.1 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | 64.3 | 113.9 | 136.5 | -107.4 | -94.2 | 0 | 0 | 0 | 121.8 | ||||
| 12 | S | 30.9 | Very low | 35.8 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 163.6 | 143.4 | 135.9 | -124.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 13 | S | 36.6 | Very low | 35.6 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | cis | -168.4 | 160.1 | 13.9 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 14 | L | 36.4 | Very low | 35.8 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -5.3 | 138.9 | 161.2 | -74.7 | 78.2 | 0 | 0 | 0 | 118.3 | ||||
| 15 | E | 32.4 | Very low | 35.6 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | -173.5 | 147.2 | 88.7 | -89.1 | -167.1 | 170.4 | 0 | 0 | 112.6 | |||||
| 16 | E | 42.4 | Very low | 35.5 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 46.4 | 102.6 | 151.9 | -66.5 | -178.3 | 156.8 | 0 | 0 | 119.6 | ||||
| 17 | D | 33.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -120.1 | 111.2 | 144 | -140.4 | -0.1 | 0 | 0 | 0 | 108.7 | ||||
| 18 | S | 39.8 | Very low | 35.9 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 127.5 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | E20 | S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.02Å | ||
| 19 | E | 38.4 | Very low | 36.2 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -65 | 87.7 | 173.4 | -66.8 | 177.2 | 155.6 | 0 | 0 | 110.6 | Y21 | E19-Y21 HydrophobicContact CB-CD2 4.01Å; E19-Y21 HydrophobicContact CB-CE2 3.87Å; E19-Y21 PolarHBondContact O-N 3.23Å; E19-Y21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | E | 38.9 | Very low | 36.1 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -75.9 | 91.1 | 165.1 | -81.7 | -167.8 | 154.4 | 0 | 0 | 110.1 | S18 F22 | S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 PolarHBondContact O-N 3.02Å; E20-F22 HydrophobicContact CB-CD2 4.13Å; E20-F22 HydrophobicContact CB-CE2 3.77Å; E20-F22 HydrophobicContact CG-CE2 4.29Å; E20-F22 PolarHBondContact O-N 2.95Å; E20-F22 VanDerWaalsContact O-N 3.11Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.45Å | ||
| 21 | Y | 35.3 | Very low | 36.4 | Very low | 186 Ų | 186 | 160 Ų | 160 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -67.9 | 97.4 | 168.1 | -82.7 | -92.3 | 0 | 0 | 0 | 111 | E19 | E19-Y21 HydrophobicContact CB-CD2 4.01Å; E19-Y21 HydrophobicContact CB-CE2 3.87Å; E19-Y21 PolarHBondContact O-N 3.23Å; E19-Y21 VanDerWaalsContact O-N 3.08Å | ||
| 22 | F | 32.3 | Very low | 36.7 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | -94.5 | 115.5 | 164.5 | -72.2 | -76.4 | 0 | 0 | 0 | 111.8 | E20 T24 | E20-F22 HydrophobicContact CB-CD2 4.13Å; E20-F22 HydrophobicContact CB-CE2 3.77Å; E20-F22 HydrophobicContact CG-CE2 4.29Å; E20-F22 PolarHBondContact O-N 2.95Å; E20-F22 VanDerWaalsContact O-N 3.11Å; E20-F22 WeakPolarHBondContact OE2-CE2 3.45Å; F22-T24 PolarHBondContact O-N 3.07Å; F22-T24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | F | 35.4 | Very low | 36.9 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 102.1 | 170.4 | -79.3 | -97.5 | 0 | 0 | 0 | 110.7 | ||||
| 24 | T | 38.2 | Very low | 37.4 | Very low | 120 Ų | 120 | 159.8 Ų | 159.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -94 | 120.6 | 161.7 | 15.7 | 0 | 0 | 0 | 0 | 108.8 | F22 R26 | F22-T24 PolarHBondContact O-N 3.07Å; F22-T24 VanDerWaalsContact O-N 3.11Å; T24-R26 PolarHBondContact O-N 2.69Å | ||
| 25 | A | 32.9 | Very low | 37.2 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -61.8 | 104.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T27 | A25-T27 PolarHBondContact O-N 3.27Š| ||
| 26 | R | 35.9 | Very low | 37.8 | Very low | 225 Ų | 225 | 158.4 Ų | 158.4 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -77.9 | 110.5 | 173 | -87.9 | -175 | 152.6 | 105.5 | -3.2 | 109.4 | T24 | T24-R26 PolarHBondContact O-N 2.69Š| ||
| 27 | T | 45.1 | Very low | 37.3 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -85.4 | 121 | 155.5 | 60.7 | 0 | 0 | 0 | 0 | 107.5 | A25 | A25-T27 PolarHBondContact O-N 3.27Š| ||
| 28 | S | 34.9 | Very low | 37.5 | Very low | 103 Ų | 103 | 154.9 Ų | 154.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -149.1 | 105.7 | 172.7 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | F | 41.3 | Very low | 37.1 | Very low | 203 Ų | 203 | 155.9 Ų | 155.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -77.6 | 111.4 | 157.1 | -73.8 | -91 | 0 | 0 | 0 | 108.5 | ||||
| 30 | F | 34.4 | Very low | 36.8 | Very low | 218 Ų | 218 | 153.3 Ų | 153.3 | 96% | 0.956 | 80% | 0.797 | S | S | * | * | trans | -169.6 | 146.5 | 149.7 | -111.4 | -79.8 | 0 | 0 | 0 | 110 | ||||
| 31 | K | 36.2 | Very low | 36.6 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -89.4 | 137.1 | -170.1 | -107.9 | 174.5 | 175.8 | 173.3 | 0 | 113.8 | ||||
| 32 | K | 39.6 | Very low | 36.8 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 66.8 | 143.6 | 148.7 | -93.2 | -178.6 | 178.8 | -178 | 0 | 119.7 | ||||
| 33 | P | 34.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | -135.2 | 176 | 55.1 | 36.1 | -16.8 | 0 | 0 | 0 | 117 | |||||
| 34 | T | 47.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -59.3 | 120.1 | -178.1 | 42.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 35 | G | 33 | Very low | 37.4 | Very low | 63 Ų | 63 | 150.5 Ų | 150.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -155.6 | 124.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | V37 | G35-V37 PolarHBondContact O-N 3.29Š| ||
| 36 | K | 45.5 | Very low | 37.8 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -55.8 | 105.8 | -171.9 | -69.1 | 176 | 177.4 | 177.7 | 0 | 110.9 | ||||
| 37 | V | 31.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -101.7 | 120 | 159.4 | 179.6 | 0 | 0 | 0 | 0 | 105.1 | G35 D39 | G35-V37 PolarHBondContact O-N 3.29Å; V37-D39 PolarHBondContact O-N 2.94Å | ||
| 38 | T | 36.9 | Very low | 38.1 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -60.8 | 91.1 | 170.4 | 43 | 0 | 0 | 0 | 0 | 107.7 | S40 | T38-S40 PolarHBondContact O-N 3.32Š| ||
| 39 | D | 30.6 | Very low | 39 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | trans | -59 | 92.1 | 161.4 | -167.7 | 16.7 | 0 | 0 | 0 | 105.9 | V37 K41 | V37-D39 PolarHBondContact O-N 2.94Å; D39-K41 HydrophobicContact CB-CG 4.27Å; D39-K41 VanDerWaalsContact CG-CG 3.42Å; D39-K41 PolarHBondContact O-N 3.31Å; D39-K41 WeakPolarHBondContact OD2-CE 3.44Å; D39-K41 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 40 | S | 33.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 151 Ų | 151 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 72.7 | 156.8 | -63 | 0 | 0 | 0 | 0 | 105.9 | T38 D42 | T38-S40 PolarHBondContact O-N 3.32Å; S40-D42 PolarHBondContact O-N 3.44Å | ||
| 41 | K | 33.3 | Very low | 41.2 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | trans | -51.2 | 115.3 | 157.7 | -66 | -177.7 | 176.1 | 177.5 | 0 | 104.3 | D39 V43 | D39-K41 HydrophobicContact CB-CG 4.27Å; D39-K41 VanDerWaalsContact CG-CG 3.42Å; D39-K41 PolarHBondContact O-N 3.31Å; D39-K41 WeakPolarHBondContact OD2-CE 3.44Å; D39-K41 WeakPolarHBondContact OD2-CG 3.39Å; K41-V43 HydrophobicContact CB-CG2 3.67Å; K41-V43 HydrophobicContact CD-CG2 4.45Å; K41-V43 PolarHBondContact O-N 2.82Å | ||
| 42 | D | 39.1 | Very low | 43 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -60.9 | 71.6 | 158.5 | -76 | -44.6 | 0 | 0 | 0 | 107.4 | S40 E44 | S40-D42 PolarHBondContact O-N 3.44Å; D42-E44 PolarHBondContact O-N 3.42Å | ||
| 43 | V | 43.2 | Very low | 45.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | -87.1 | 96.7 | 159.9 | -177.7 | 0 | 0 | 0 | 0 | 103.6 | K41 | K41-V43 HydrophobicContact CB-CG2 3.67Å; K41-V43 HydrophobicContact CD-CG2 4.45Å; K41-V43 PolarHBondContact O-N 2.82Å | ||
| 44 | E | 37.6 | Very low | 47.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 65% | 0.654 | 69% | 0.687 | S | S | * | * | -155.1 | 113.5 | 128.6 | -110.1 | 176.9 | -141.4 | 0 | 0 | 107.2 | D42 E46 R161 | D42-E44 PolarHBondContact O-N 3.42Å; E44-E46 PolarHBondContact O-N 2.94Å; E44-R161 IonicContact OE2-CZ 3.95Å; E44-R161 IonicContact OE2-NH1 2.94Å; E44-R161 PolarHBondContact OE2-NH1 3.37Å | |||
| 45 | K | 37.8 | Very low | 49.7 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 87% | 0.87 | 67% | 0.673 | S | S | * | * | trans | -34.1 | 110.3 | 161.1 | -86.3 | 172.4 | 166.1 | 175 | 0 | 107.5 | R47 | K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.48Å | ||
| 46 | E | 42.5 | Very low | 52.5 | Low | 141 Ų | 141 | 136.1 Ų | 136.1 | 66% | 0.659 | 67% | 0.667 | S | S | * | * | trans | -47.1 | 114.7 | 152.7 | -83.5 | -166.6 | 125.5 | 0 | 0 | 104.3 | E44 E48 K157 | E44-E46 PolarHBondContact O-N 2.94Å; E46-E48 PolarHBondContact O-N 2.9Å; E46-K157 IonicContact OE1-NZ 3.17Å; E46-K157 PolarHBondContact OE1-NZ 2.88Å | ||
| 47 | R | 43.9 | Very low | 54.7 | Low | 222 Ų | 222 | 129.1 Ų | 129.1 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | trans | -55.6 | 102 | 158.8 | -80.4 | 179.8 | 172.2 | -179.4 | -2.2 | 102.7 | K45 V49 | K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.48Å; R47-V49 PolarHBondContact O-N 3.36Å | ||
| 48 | E | 43 | Very low | 57.7 | Low | 185 Ų | 185 | 123.9 Ų | 123.9 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | trans | -48.2 | 103.8 | 166.9 | -90 | 179.7 | 151.5 | 0 | 0 | 104.5 | E46 R50 | E46-E48 PolarHBondContact O-N 2.9Å; E48-R50 PolarHBondContact O-N 3.41Å | ||
| 49 | V | 53.7 | Low | 60.4 | Low | 62 Ų | 62 | 121 Ų | 121 | 38% | 0.376 | 58% | 0.582 | S | S | . | * | trans | -66.2 | 103.5 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 102.1 | R47 T51 F178 V182 | R47-V49 PolarHBondContact O-N 3.36Å; V49-T51 WeakPolarHBondContact O-CG2 3.36Å; V49-T51 PolarHBondContact O-N 3.31Å; V49-F178 HydrophobicContact CG1-CE1 4.15Å; V49-V182 HydrophobicContact CG1-CB 4.42Å; V49-V182 HydrophobicContact CG1-CG1 3.96Å; V49-V182 HydrophobicContact CG1-CG2 4.1Å | ||
| 50 | R | 60.6 | Low | 63.5 | Low | 172 Ų | 172 | 122 Ų | 122 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | trans | -36.1 | 111.7 | 179.2 | -147.7 | 179.6 | -175.7 | -163.4 | -0.6 | 107.7 | E48 E52 F53 F178 | E48-R50 PolarHBondContact O-N 3.41Å; R50-E52 PolarHBondContact O-N 2.94Å; R50-F53 HydrophobicContact CB-CE1 4.49Å; R50-F178 WeakPolarHBondContact O-CE1 3.38Å; R50-F178 WeakPolarHBondContact O-CZ 3.31Å | ||
| 51 | T | 62.2 | Low | 66.5 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 68% | 0.675 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -77.5 | -4.6 | -167.8 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | V49 | V49-T51 WeakPolarHBondContact O-CG2 3.36Å; V49-T51 PolarHBondContact O-N 3.31Å |
| 52 | E | 73.1 | Confident | 69.5 | Low | 157 Ų | 157 | 112.7 Ų | 112.7 | 73% | 0.734 | 53% | 0.53 | S | S | * | . | trans | -138.3 | 121.8 | -172.9 | -60.2 | -177 | -175.3 | 0 | 0 | 109.1 | R50 | R50-E52 PolarHBondContact O-N 2.94Š| ||
| 53 | F | 83.6 | Confident | 72.2 | Confident | 43 Ų | 43 | 108.7 Ų | 108.7 | 19% | 0.189 | 51% | 0.508 | C | S | . | . | trans | -114.1 | 151.8 | 170.1 | -72.2 | -52.1 | 0 | 0 | 0 | 108.4 | R50 E57 I58 K61 F178 V182 | R50-F53 HydrophobicContact CB-CE1 4.49Å; F53-E57 VanDerWaalsContact CA-OE2 3.3Å; F53-E57 WeakPolarHBondContact CA-OE2 3.43Å; F53-E57 HydrophobicContact CB-CB 3.86Å; F53-E57 HydrophobicContact CD1-CB 4.41Å; F53-E57 HydrophobicContact CG-CB 4.35Å; F53-I58 HydrophobicContact CB-CD1 4.43Å; F53-I58 HydrophobicContact CB-CG1 3.75Å; F53-K61 HydrophobicContact CD2-CD 4.14Å; F53-K61 HydrophobicContact CE2-CD 3.9Å; F53-K61 HydrophobicContact CZ-CD 4.38Å; F53-F178 AromaticContact CD2-CE2 3.45Å; F53-F178 HydrophobicContact CD2-CE2 3.45Å; F53-F178 VanDerWaalsContact CD2-CE2 3.45Å; F53-F178 AromaticContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CE2-CE1 4.3Å; F53-F178 AromaticContact CE2-CE2 3.76Å; F53-F178 HydrophobicContact CE2-CE2 3.76Å; F53-F178 AromaticContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CG-CE2 4.46Å; F53-F178 HydrophobicContact CG-CZ 4.49Å; F53-F178 HydrophobicContact CZ-CZ 4.31Å; F53-V182 HydrophobicContact CE2-CG2 3.66Å; F53-V182 HydrophobicContact CZ-CG2 4.25Å | ||
| 54 | S | 89.1 | Confident | 74.7 | Confident | 48 Ų | 48 | 109 Ų | 109 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | trans | -63.5 | 161.4 | 170.6 | 95.5 | 0 | 0 | 0 | 0 | 110.6 | E56 E57 I58 | S54-E56 WeakPolarHBondContact CB-OE2 3.45Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-E56 PolarHBondContact OG-N 3.02Å; S54-E56 PolarHBondContact OG-OE2 2.95Å; S54-E57 PolarHBondContact N-OE2 3.31Å; S54-E57 PolarHBondContact O-N 3.48Å; S54-E57 PolarHBondContact OG-N 3.43Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.17Å | ||
| 55 | R | 89.4 | Confident | 77.4 | Confident | 141 Ų | 141 | 103 Ų | 103 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.9 | -38.4 | 177.4 | -178.9 | 174.8 | 176.1 | -104.5 | -0.8 | 111.7 | I58 Q59 L77 | R55-I58 PolarHBondContact O-N 3.32Å; R55-Q59 WeakPolarHBondContact O-CB 3.41Å; R55-Q59 PolarHBondContact O-N 3.31Å; R55-L77 HydrophobicContact CG-CD2 4.27Å |
| 56 | E | 92.1 | Very high | 80.2 | Confident | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 178.5 | -56.9 | 69.1 | -145.9 | 0 | 0 | 111.1 | S54 Q59 Q60 | S54-E56 WeakPolarHBondContact CB-OE2 3.45Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-E56 PolarHBondContact OG-N 3.02Å; S54-E56 PolarHBondContact OG-OE2 2.95Å; E56-Q59 PolarHBondContact O-N 2.96Å; E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.04Å |
| 57 | E | 92.5 | Very high | 82.7 | Confident | 71 Ų | 71 | 92.5 Ų | 92.5 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 174.8 | -71.8 | 179 | 138 | 0 | 0 | 111.7 | F53 S54 Q60 K61 | F53-E57 VanDerWaalsContact CA-OE2 3.3Å; F53-E57 WeakPolarHBondContact CA-OE2 3.43Å; F53-E57 HydrophobicContact CB-CB 3.86Å; F53-E57 HydrophobicContact CD1-CB 4.41Å; F53-E57 HydrophobicContact CG-CB 4.35Å; S54-E57 PolarHBondContact N-OE2 3.31Å; S54-E57 PolarHBondContact O-N 3.48Å; S54-E57 PolarHBondContact OG-N 3.43Å; E57-Q60 PolarHBondContact O-N 2.94Å; E57-K61 WeakPolarHBondContact O-CB 3.25Å; E57-K61 PolarHBondContact O-N 2.69Å |
| 58 | I | 93.4 | Very high | 85 | Confident | 21 Ų | 21 | 86.9 Ų | 86.9 | 11% | 0.108 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.8 | -68.7 | 171.6 | 0 | 0 | 0 | 110 | F53 S54 R55 Q60 K61 I62 L77 F83 L181 | F53-I58 HydrophobicContact CB-CD1 4.43Å; F53-I58 HydrophobicContact CB-CG1 3.75Å; S54-I58 WeakPolarHBondContact O-CG1 3.33Å; S54-I58 PolarHBondContact O-N 3.17Å; R55-I58 PolarHBondContact O-N 3.32Å; I58-Q60 PolarHBondContact O-N 2.96Å; I58-K61 PolarHBondContact O-N 2.94Å; I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.2Å; I58-I62 PolarHBondContact O-N 2.95Å; I58-L77 HydrophobicContact CG2-CD1 3.94Å; I58-F83 HydrophobicContact CD1-CE1 4.37Å; I58-F83 HydrophobicContact CG2-CD1 3.66Å; I58-F83 HydrophobicContact CG2-CE1 4.01Å; I58-F83 HydrophobicContact CG2-CG 4.3Å; I58-L181 HydrophobicContact CG2-CD2 4.35Å |
| 59 | Q | 94.8 | Very high | 87.3 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 178.1 | -177.2 | 58.9 | 54.3 | 0 | 0 | 111.1 | R55 E56 K61 I62 D63 L77 | R55-Q59 WeakPolarHBondContact O-CB 3.41Å; R55-Q59 PolarHBondContact O-N 3.31Å; E56-Q59 PolarHBondContact O-N 2.96Å; Q59-K61 PolarHBondContact O-N 3.44Å; Q59-I62 PolarHBondContact O-N 3.36Å; Q59-I62 VanDerWaalsContact O-N 3.14Å; Q59-D63 VanDerWaalsContact NE2-CG 3.29Å; Q59-D63 PolarHBondContact NE2-OD1 2.82Å; Q59-D63 PolarHBondContact NE2-OD2 3.42Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3Å; Q59-L77 HydrophobicContact CB-CD2 4.05Å |
| 60 | Q | 95.6 | Very high | 88.7 | Confident | 136 Ų | 136 | 87.9 Ų | 87.9 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 177.7 | -72.2 | 177.1 | 15.4 | 0 | 0 | 112.3 | E56 E57 I58 I62 D63 Q64 | E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.04Å; E57-Q60 PolarHBondContact O-N 2.94Å; I58-Q60 PolarHBondContact O-N 2.96Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 3.41Å; Q60-D63 PolarHBondContact O-N 3.4Å; Q60-Q64 WeakPolarHBondContact O-CB 3.24Å; Q60-Q64 PolarHBondContact O-N 2.85Å |
| 61 | K | 95.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 82.8 Ų | 82.8 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.7 | -82 | -170.5 | 169.1 | -73.2 | 0 | 112.2 | F53 E57 I58 Q59 Q64 Y65 L181 | F53-K61 HydrophobicContact CD2-CD 4.14Å; F53-K61 HydrophobicContact CE2-CD 3.9Å; F53-K61 HydrophobicContact CZ-CD 4.38Å; E57-K61 WeakPolarHBondContact O-CB 3.25Å; E57-K61 PolarHBondContact O-N 2.69Å; I58-K61 PolarHBondContact O-N 2.94Å; Q59-K61 PolarHBondContact O-N 3.44Å; K61-Q64 PolarHBondContact O-N 2.82Å; K61-Y65 VanDerWaalsContact O-CB 3.24Å; K61-Y65 WeakPolarHBondContact O-CB 3.24Å; K61-Y65 PolarHBondContact O-N 3Å; K61-L181 HydrophobicContact CB-CD1 3.82Å; K61-L181 HydrophobicContact CB-CD2 4.19Å; K61-L181 HydrophobicContact CB-CG 3.95Å; K61-L181 HydrophobicContact CD-CG 4.43Å |
| 62 | I | 96.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.9 | -74.8 | 170.4 | 0 | 0 | 0 | 110.2 | I58 Q59 Q60 Y65 N66 M75 L77 F83 L181 | I58-I62 HydrophobicContact CG2-CD1 3.63Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.38Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.2Å; I58-I62 PolarHBondContact O-N 2.95Å; Q59-I62 PolarHBondContact O-N 3.36Å; Q59-I62 VanDerWaalsContact O-N 3.14Å; Q60-I62 VanDerWaalsContact C-N 3.33Å; Q60-I62 PolarHBondContact O-N 3.41Å; I62-Y65 PolarHBondContact O-N 3.14Å; I62-N66 WeakPolarHBondContact CG2-ND2 3.27Å; I62-N66 VanDerWaalsContact O-CB 3.24Å; I62-N66 WeakPolarHBondContact O-CB 3.4Å; I62-N66 PolarHBondContact O-N 2.87Å; I62-N66 PolarHBondContact O-ND2 2.9Å; I62-M75 HydrophobicContact CG1-CB 4.18Å; I62-M75 HydrophobicContact CG2-CB 4.09Å; I62-M75 WeakPolarHBondContact CG2-O 3.36Å; I62-L77 HydrophobicContact CD1-CB 3.87Å; I62-L77 HydrophobicContact CD1-CD1 4.35Å; I62-F83 HydrophobicContact CD1-CB 3.6Å; I62-F83 HydrophobicContact CD1-CD2 4.24Å; I62-F83 HydrophobicContact CD1-CG 3.91Å; I62-L181 HydrophobicContact CB-CD1 4.49Å; I62-L181 HydrophobicContact CG1-CD1 3.74Å; I62-L181 HydrophobicContact CG1-CD2 4.25Å |
| 63 | D | 96.2 | Very high | 92 | Very high | 85 Ų | 85 | 82.5 Ų | 82.5 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 177.9 | -66.5 | -31.2 | 0 | 0 | 0 | 111 | Q59 Q60 N66 S67 | Q59-D63 VanDerWaalsContact NE2-CG 3.29Å; Q59-D63 PolarHBondContact NE2-OD1 2.82Å; Q59-D63 PolarHBondContact NE2-OD2 3.42Å; Q59-D63 VanDerWaalsContact O-CG 3.3Å; Q59-D63 PolarHBondContact O-N 3Å; Q60-D63 PolarHBondContact O-N 3.4Å; D63-N66 PolarHBondContact O-N 2.91Å; D63-S67 WeakPolarHBondContact O-CB 3.44Å; D63-S67 PolarHBondContact O-N 2.97Å |
| 64 | Q | 95.8 | Very high | 92.5 | Very high | 118 Ų | 118 | 85.4 Ų | 85.4 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.4 | -49.6 | 173.4 | -173 | -179.7 | 22.2 | 0 | 0 | 111.4 | Q60 K61 N66 S67 L68 | Q60-Q64 WeakPolarHBondContact O-CB 3.24Å; Q60-Q64 PolarHBondContact O-N 2.85Å; K61-Q64 PolarHBondContact O-N 2.82Å; Q64-N66 PolarHBondContact O-N 2.94Å; Q64-S67 PolarHBondContact O-N 3.47Å; Q64-S67 PolarHBondContact O-OG 2.8Å; Q64-L68 HydrophobicContact CG-CD1 4.4Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.19Å |
| 65 | Y | 95.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 83.2 Ų | 83.2 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.2 | -52.5 | 177.2 | -177.8 | -82.1 | 0 | 0 | 0 | 110.6 | K61 I62 S67 L68 T69 M75 R180 P185 | K61-Y65 VanDerWaalsContact O-CB 3.24Å; K61-Y65 WeakPolarHBondContact O-CB 3.24Å; K61-Y65 PolarHBondContact O-N 3Å; I62-Y65 PolarHBondContact O-N 3.14Å; Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.9Å; Y65-L68 PolarHBondContact O-N 3.18Å; Y65-L68 VanDerWaalsContact O-N 3.07Å; Y65-T69 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T69 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T69 WeakPolarHBondContact CE1-OG1 3.44Å; Y65-T69 PolarHBondContact O-N 2.73Å; Y65-T69 PolarHBondContact O-OG1 3.3Å; Y65-M75 HydrophobicContact CD1-CE 4.4Å; Y65-M75 HydrophobicContact CD1-CG 3.89Å; Y65-M75 HydrophobicContact CD1-SD 4.43Å; Y65-M75 HydrophobicContact CD2-CE 4.07Å; Y65-M75 HydrophobicContact CE1-CE 4.06Å; Y65-M75 HydrophobicContact CE1-CG 3.87Å; Y65-M75 HydrophobicContact CE2-CE 3.69Å; Y65-M75 HydrophobicContact CG-CE 4.43Å; Y65-M75 HydrophobicContact CG-SD 4.5Å; Y65-R180 HydrophobicContact CE2-CG 3.93Å; Y65-P185 HydrophobicContact CD2-CB 4.31Å; Y65-P185 HydrophobicContact CD2-CG 4.49Å; Y65-P185 HydrophobicContact CE1-CB 4.16Å; Y65-P185 VanDerWaalsContact CE2-CA 3.44Å; Y65-P185 HydrophobicContact CE2-CB 3.77Å; Y65-P185 HydrophobicContact CE2-CG 4.4Å; Y65-P185 VanDerWaalsContact CE2-N 3.27Å |
| 66 | N | 95.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 80.4 Ų | 80.4 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.6 | -27.8 | -177.2 | -73.7 | -16.7 | 0 | 0 | 0 | 113.9 | I62 D63 Q64 L68 K74 M75 | I62-N66 WeakPolarHBondContact CG2-ND2 3.27Å; I62-N66 VanDerWaalsContact O-CB 3.24Å; I62-N66 WeakPolarHBondContact O-CB 3.4Å; I62-N66 PolarHBondContact O-N 2.87Å; I62-N66 PolarHBondContact O-ND2 2.9Å; D63-N66 PolarHBondContact O-N 2.91Å; Q64-N66 PolarHBondContact O-N 2.94Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-K74 HydrophobicContact CB-CD 4.29Å; N66-K74 HydrophobicContact CB-CG 4.44Å; N66-K74 WeakPolarHBondContact OD1-CA 3.41Å; N66-K74 VanDerWaalsContact OD1-CB 3.27Å; N66-K74 WeakPolarHBondContact OD1-CB 3.44Å; N66-M75 PolarHBondContact ND2-O 2.89Å; N66-M75 PolarHBondContact OD1-N 2.84Å |
| 67 | S | 94.9 | Very high | 93.3 | Very high | 91 Ų | 91 | 76.2 Ų | 76.2 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.4 | -31.5 | 173.9 | 76 | 0 | 0 | 0 | 0 | 112.5 | D63 Q64 Y65 | D63-S67 WeakPolarHBondContact O-CB 3.44Å; D63-S67 PolarHBondContact O-N 2.97Å; Q64-S67 PolarHBondContact O-N 3.47Å; Q64-S67 PolarHBondContact O-OG 2.8Å; Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.9Å |
| 68 | L | 92.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 75.5 Ų | 75.5 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -88.6 | -21.3 | 179 | -63.4 | 173.9 | 0 | 0 | 0 | 112.4 | Q64 Y65 N66 R70 P185 | Q64-L68 HydrophobicContact CG-CD1 4.4Å; Q64-L68 WeakPolarHBondContact O-CG 3.49Å; Q64-L68 PolarHBondContact O-N 3.19Å; Y65-L68 PolarHBondContact O-N 3.18Å; Y65-L68 VanDerWaalsContact O-N 3.07Å; N66-L68 VanDerWaalsContact C-N 3.34Å; L68-R70 PolarHBondContact O-N 3.27Å; L68-P185 HydrophobicContact CB-CG 3.69Å |
| 69 | T | 89.9 | Confident | 93.3 | Very high | 13 Ų | 13 | 80.2 Ų | 80.2 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | trans | -68.4 | 117.6 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | Y65 D71 K74 | Y65-T69 WeakPolarHBondContact CD1-OG1 3.28Å; Y65-T69 VanDerWaalsContact CE1-OG1 3.25Å; Y65-T69 WeakPolarHBondContact CE1-OG1 3.44Å; Y65-T69 PolarHBondContact O-N 2.73Å; Y65-T69 PolarHBondContact O-OG1 3.3Å; T69-D71 WeakPolarHBondContact CG2-O 3.48Å; T69-D71 WeakPolarHBondContact CG2-OD1 3.3Å; T69-K74 HydrophobicContact CG2-CG 4.24Å | ||
| 70 | R | 83.3 | Confident | 93 | Very high | 255 Ų | 255 | 82.5 Ų | 82.5 | 96% | 0.962 | 41% | 0.411 | S | S | * | . | trans | -88.4 | -19.5 | 179.1 | -60.2 | -177.9 | -177.8 | 176.5 | 0.4 | 113.6 | L68 | L68-R70 PolarHBondContact O-N 3.27Š| ||
| 71 | D | 85.7 | Confident | 92.6 | Very high | 66 Ų | 66 | 77.2 Ų | 77.2 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -99.4 | -177.4 | 179.2 | 63.5 | 16.5 | 0 | 0 | 0 | 111.7 | T69 L73 K88 | T69-D71 WeakPolarHBondContact CG2-O 3.48Å; T69-D71 WeakPolarHBondContact CG2-OD1 3.3Å; D71-L73 PolarHBondContact O-N 3.29Å; D71-L73 VanDerWaalsContact OD1-CB 3.22Å; D71-L73 WeakPolarHBondContact OD1-CB 3.39Å; D71-L73 PolarHBondContact OD1-N 2.85Å; D71-L73 WeakPolarHBondContact OD2-CD1 3.47Å; D71-K88 IonicContact OD2-NZ 3.25Å; D71-K88 PolarHBondContact OD2-NZ 3.33Å |
| 72 | Y | 87.6 | Confident | 92.6 | Very high | 223 Ų | 223 | 75.9 Ų | 75.9 | 88% | 0.875 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -79.4 | 6.5 | 177.3 | -58.5 | -77.2 | 0 | 0 | 0 | 113 | K74 | Y72-K74 VanDerWaalsContact C-N 3.27Å; Y72-K74 PolarHBondContact O-N 3.25Å |
| 73 | L | 92.2 | Very high | 92.5 | Very high | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | trans | -90.9 | 59.1 | -172.5 | -53.2 | -177.2 | 0 | 0 | 0 | 111.7 | D71 F86 T124 | D71-L73 PolarHBondContact O-N 3.29Å; D71-L73 VanDerWaalsContact OD1-CB 3.22Å; D71-L73 WeakPolarHBondContact OD1-CB 3.39Å; D71-L73 PolarHBondContact OD1-N 2.85Å; D71-L73 WeakPolarHBondContact OD2-CD1 3.47Å; L73-F86 HydrophobicContact CB-CB 3.99Å; L73-F86 HydrophobicContact CB-CD2 3.8Å; L73-F86 HydrophobicContact CB-CG 4Å; L73-F86 HydrophobicContact CD1-CB 4.46Å; L73-F86 HydrophobicContact CD2-CB 4.33Å; L73-F86 HydrophobicContact CD2-CD1 3.86Å; L73-F86 HydrophobicContact CD2-CD2 3.93Å; L73-F86 HydrophobicContact CD2-CE1 4.07Å; L73-F86 HydrophobicContact CD2-CE2 4.17Å; L73-F86 HydrophobicContact CD2-CG 3.77Å; L73-F86 HydrophobicContact CD2-CZ 4.23Å; L73-F86 HydrophobicContact CG-CB 4.5Å; L73-F86 HydrophobicContact CG-CD2 4.46Å; L73-F86 HydrophobicContact CG-CG 4.37Å; L73-T124 HydrophobicContact CD1-CG2 4.08Å; L73-T124 HydrophobicContact CD2-CG2 4.5Å | ||
| 74 | K | 94 | Very high | 92.6 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 45% | 0.452 | 38% | 0.376 | S | S | . | . | trans | -81.3 | 162.6 | -179.2 | -67.9 | -172.1 | 177.3 | -174.2 | 0 | 112.4 | N66 T69 Y72 | N66-K74 HydrophobicContact CB-CD 4.29Å; N66-K74 HydrophobicContact CB-CG 4.44Å; N66-K74 WeakPolarHBondContact OD1-CA 3.41Å; N66-K74 VanDerWaalsContact OD1-CB 3.27Å; N66-K74 WeakPolarHBondContact OD1-CB 3.44Å; T69-K74 HydrophobicContact CG2-CG 4.24Å; Y72-K74 VanDerWaalsContact C-N 3.27Å; Y72-K74 PolarHBondContact O-N 3.25Å | ||
| 75 | M | 96.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | trans | -99.3 | 147.8 | 170.3 | -61.7 | -163.2 | -177.2 | 0 | 0 | 110.9 | I62 Y65 N66 F83 T84 L177 R180 L181 | I62-M75 HydrophobicContact CG1-CB 4.18Å; I62-M75 HydrophobicContact CG2-CB 4.09Å; I62-M75 WeakPolarHBondContact CG2-O 3.36Å; Y65-M75 HydrophobicContact CD1-CE 4.4Å; Y65-M75 HydrophobicContact CD1-CG 3.89Å; Y65-M75 HydrophobicContact CD1-SD 4.43Å; Y65-M75 HydrophobicContact CD2-CE 4.07Å; Y65-M75 HydrophobicContact CE1-CE 4.06Å; Y65-M75 HydrophobicContact CE1-CG 3.87Å; Y65-M75 HydrophobicContact CE2-CE 3.69Å; Y65-M75 HydrophobicContact CG-CE 4.43Å; Y65-M75 HydrophobicContact CG-SD 4.5Å; N66-M75 PolarHBondContact ND2-O 2.89Å; N66-M75 PolarHBondContact OD1-N 2.84Å; M75-F83 HydrophobicContact SD-CD2 4.13Å; M75-F83 HydrophobicContact SD-CE2 4.11Å; M75-T84 CarbonylContact C-O 3.53Å; M75-T84 WeakPolarHBondContact CA-O 3.35Å; M75-L177 HydrophobicContact CE-CD1 3.79Å; M75-L177 HydrophobicContact CE-CG 4.32Å; M75-L177 HydrophobicContact SD-CD1 4.39Å; M75-R180 HydrophobicContact CE-CB 4.1Å; M75-R180 HydrophobicContact CE-CG 3.65Å; M75-L181 HydrophobicContact CE-CB 4.11Å; M75-L181 HydrophobicContact SD-CB 3.97Å; M75-L181 HydrophobicContact SD-CD1 3.71Å; M75-L181 HydrophobicContact SD-CG 4.36Å | ||
| 76 | T | 96 | Very high | 92.6 | Very high | 81 Ų | 81 | 69.6 Ų | 69.6 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.9 | -178.8 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | F83 T84 | T76-F83 CarbonylContact O-C 3.52Å; T76-F83 WeakPolarHBondContact O-CA 3.26Å; T76-F83 WeakPolarHBondContact O-CB 3.45Å; T76-T84 PolarHBondContact N-O 3.25Å; T76-T84 PolarHBondContact O-N 3.05Å |
| 77 | L | 96.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.3 | 172.8 | -174.5 | 62.2 | 0 | 0 | 0 | 110.1 | R55 I58 Q59 I62 F83 | R55-L77 HydrophobicContact CG-CD2 4.27Å; I58-L77 HydrophobicContact CG2-CD1 3.94Å; Q59-L77 HydrophobicContact CB-CD2 4.05Å; I62-L77 HydrophobicContact CD1-CB 3.87Å; I62-L77 HydrophobicContact CD1-CD1 4.35Å; L77-F83 HydrophobicContact CD1-CB 3.91Å |
| 78 | N | 94.3 | Very high | 92.5 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -86.2 | 158.7 | 174.4 | -59.1 | -50.1 | 0 | 0 | 0 | 111.4 | T80 G81 V82 | N78-T80 PolarHBondContact O-N 2.85Å; N78-T80 VanDerWaalsContact O-N 3.12Å; N78-G81 PolarHBondContact O-N 3.36Å; N78-V82 WeakPolarHBondContact CB-O 3.22Å; N78-V82 PolarHBondContact N-O 2.9Å; N78-V82 PolarHBondContact ND2-O 2.84Å | ||
| 79 | P | 90.1 | Very high | 92.6 | Very high | 120 Ų | 120 | 61.7 Ų | 61.7 | 78% | 0.779 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28 | 176 | -25.6 | 35 | 0 | 0 | 0 | 114 | G81 | P79-G81 PolarHBondContact O-N 2.68Š|
| 80 | T | 90.1 | Very high | 92.7 | Very high | 117 Ų | 117 | 63.6 Ų | 63.6 | 72% | 0.718 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.1 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | N78 V82 | N78-T80 PolarHBondContact O-N 2.85Å; N78-T80 VanDerWaalsContact O-N 3.12Å; T80-V82 VanDerWaalsContact C-N 3.31Å |
| 81 | G | 87.3 | Confident | 92.9 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 89.2 | -10.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N78 P79 | N78-G81 PolarHBondContact O-N 3.36Å; P79-G81 PolarHBondContact O-N 2.68Å |
| 82 | V | 93.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | trans | -78.3 | 131.6 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | N78 T80 S129 E130 | N78-V82 WeakPolarHBondContact CB-O 3.22Å; N78-V82 PolarHBondContact N-O 2.9Å; N78-V82 PolarHBondContact ND2-O 2.84Å; T80-V82 VanDerWaalsContact C-N 3.31Å; V82-S129 WeakPolarHBondContact CG1-OG 3.48Å; V82-E130 HydrophobicContact CG1-CG 4.24Å; V82-E130 HydrophobicContact CG2-CG 4.14Å; V82-E130 WeakPolarHBondContact CG2-OE1 3.05Å | ||
| 83 | F | 95.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.022 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 152.5 | 173 | 62.2 | -84.2 | 0 | 0 | 0 | 111.3 | I58 I62 M75 T76 L77 S128 S129 L177 F178 L181 | I58-F83 HydrophobicContact CD1-CE1 4.37Å; I58-F83 HydrophobicContact CG2-CD1 3.66Å; I58-F83 HydrophobicContact CG2-CE1 4.01Å; I58-F83 HydrophobicContact CG2-CG 4.3Å; I62-F83 HydrophobicContact CD1-CB 3.6Å; I62-F83 HydrophobicContact CD1-CD2 4.24Å; I62-F83 HydrophobicContact CD1-CG 3.91Å; M75-F83 HydrophobicContact SD-CD2 4.13Å; M75-F83 HydrophobicContact SD-CE2 4.11Å; T76-F83 CarbonylContact O-C 3.52Å; T76-F83 WeakPolarHBondContact O-CA 3.26Å; T76-F83 WeakPolarHBondContact O-CB 3.45Å; L77-F83 HydrophobicContact CD1-CB 3.91Å; F83-S128 CarbonylContact O-C 3.6Å; F83-S128 WeakPolarHBondContact O-CA 3.35Å; F83-S129 VanDerWaalsContact CZ-CB 3.48Å; F83-S129 PolarHBondContact N-OG 2.79Å; F83-S129 WeakPolarHBondContact O-CB 3.39Å; F83-S129 PolarHBondContact O-N 3.3Å; F83-S129 PolarHBondContact O-OG 2.87Å; F83-L177 HydrophobicContact CD2-CD2 3.64Å; F83-L177 HydrophobicContact CD2-CG 4.18Å; F83-L177 HydrophobicContact CE2-CD2 3.67Å; F83-L177 HydrophobicContact CE2-CG 3.76Å; F83-F178 HydrophobicContact CZ-CD2 4.3Å; F83-L181 HydrophobicContact CD2-CD2 4.47Å; F83-L181 HydrophobicContact CE1-CD2 4.15Å; F83-L181 HydrophobicContact CE2-CB 4.2Å; F83-L181 HydrophobicContact CE2-CD2 3.78Å; F83-L181 HydrophobicContact CZ-CB 4.43Å; F83-L181 HydrophobicContact CZ-CD2 3.6Å |
| 84 | T | 97.1 | Very high | 91 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 158.9 | 176.1 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | M75 T76 I127 | M75-T84 CarbonylContact C-O 3.53Å; M75-T84 WeakPolarHBondContact CA-O 3.35Å; T76-T84 PolarHBondContact N-O 3.25Å; T76-T84 PolarHBondContact O-N 3.05Å; T84-I127 VanDerWaalsContact CA-O 3.3Å; T84-I127 WeakPolarHBondContact CA-O 3.22Å |
| 85 | G | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -165.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H126 I127 | G85-H126 WeakPolarHBondContact O-CA 3.47Å; G85-H126 PolarHBondContact O-CD2 3.06Å; G85-H126 VanDerWaalsContact O-CD2 3.3Å; G85-I127 PolarHBondContact N-O 3.48Å; G85-I127 PolarHBondContact O-N 3Å |
| 86 | F | 95.8 | Very high | 87.4 | Confident | 56 Ų | 56 | 50 Ų | 50 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.7 | -173.3 | -60 | -93 | 0 | 0 | 0 | 112.1 | L73 T124 L125 H126 | L73-F86 HydrophobicContact CB-CB 3.99Å; L73-F86 HydrophobicContact CB-CD2 3.8Å; L73-F86 HydrophobicContact CB-CG 4Å; L73-F86 HydrophobicContact CD1-CB 4.46Å; L73-F86 HydrophobicContact CD2-CB 4.33Å; L73-F86 HydrophobicContact CD2-CD1 3.86Å; L73-F86 HydrophobicContact CD2-CD2 3.93Å; L73-F86 HydrophobicContact CD2-CE1 4.07Å; L73-F86 HydrophobicContact CD2-CE2 4.17Å; L73-F86 HydrophobicContact CD2-CG 3.77Å; L73-F86 HydrophobicContact CD2-CZ 4.23Å; L73-F86 HydrophobicContact CG-CB 4.5Å; L73-F86 HydrophobicContact CG-CD2 4.46Å; L73-F86 HydrophobicContact CG-CG 4.37Å; F86-T124 HydrophobicContact CB-CG2 4.19Å; F86-T124 HydrophobicContact CD1-CG2 4.01Å; F86-L125 CarbonylContact C-O 3.5Å; F86-L125 WeakPolarHBondContact CA-O 3.36Å; F86-H126 HydrophobicContact CD1-CB 3.95Å; F86-H126 HydrophobicContact CE1-CB 3.72Å; F86-H126 AromaticContact CE1-CD2 3.8Å; F86-H126 AromaticContact CE2-CD2 3.86Å; F86-H126 HydrophobicContact CZ-CB 4.39Å; F86-H126 AromaticContact CZ-CD2 3.65Å |
| 87 | V | 95 | Very high | 85.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138 | 168.4 | -63.6 | 0 | 0 | 0 | 0 | 110 | V89 T124 L125 I127 L177 R180 F192 | V87-V89 HydrophobicContact CG2-CG2 4.45Å; V87-T124 WeakPolarHBondContact O-CA 3.37Å; V87-L125 HydrophobicContact CG2-CB 4.08Å; V87-L125 HydrophobicContact CG2-CD1 4.46Å; V87-L125 PolarHBondContact N-O 2.94Å; V87-L125 PolarHBondContact O-N 2.98Å; V87-I127 HydrophobicContact CB-CD1 4.34Å; V87-I127 HydrophobicContact CG1-CD1 3.82Å; V87-I127 HydrophobicContact CG1-CG1 4.31Å; V87-I127 HydrophobicContact CG2-CD1 3.54Å; V87-I127 HydrophobicContact CG2-CG1 4.03Å; V87-L177 HydrophobicContact CG1-CD1 3.96Å; V87-R180 HydrophobicContact CG1-CB 4.26Å; V87-F192 HydrophobicContact CB-CD2 4.34Å; V87-F192 HydrophobicContact CB-CE2 4.3Å; V87-F192 HydrophobicContact CG1-CE2 4.14Å |
| 88 | K | 94.1 | Very high | 83.1 | Confident | 55 Ų | 55 | 48 Ų | 48 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.8 | 174.5 | -68.1 | 177.7 | -174.9 | 165.6 | 0 | 108.3 | D71 I122 N123 T124 L187 | D71-K88 IonicContact OD2-NZ 3.25Å; D71-K88 PolarHBondContact OD2-NZ 3.33Å; K88-I122 HydrophobicContact CB-CG2 3.88Å; K88-I122 HydrophobicContact CG-CG2 4.3Å; K88-N123 WeakPolarHBondContact CA-O 3.19Å; K88-T124 HydrophobicContact CG-CG2 4.27Å; K88-L187 HydrophobicContact CB-CD2 4.28Å; K88-L187 HydrophobicContact CD-CD1 3.98Å; K88-L187 HydrophobicContact CD-CD2 4.18Å |
| 89 | V | 93.9 | Very high | 80.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.7 | 178.7 | -176 | 0 | 0 | 0 | 0 | 109 | V87 N123 V136 L140 L155 F192 L194 | V87-V89 HydrophobicContact CG2-CG2 4.45Å; V89-N123 PolarHBondContact N-O 2.94Å; V89-N123 PolarHBondContact O-N 3.33Å; V89-V136 HydrophobicContact CG2-CG1 4.44Å; V89-L140 HydrophobicContact CB-CD1 3.92Å; V89-L140 HydrophobicContact CG1-CD1 3.65Å; V89-L140 HydrophobicContact CG2-CD1 4.1Å; V89-L155 HydrophobicContact CG1-CD1 3.59Å; V89-L155 HydrophobicContact CG2-CD1 4.4Å; V89-F192 WeakPolarHBondContact CA-O 3.35Å; V89-F192 HydrophobicContact CB-CB 4.44Å; V89-F192 HydrophobicContact CG1-CB 4.38Å; V89-F192 HydrophobicContact CG2-CB 3.99Å; V89-L194 HydrophobicContact CG1-CB 3.95Å |
| 90 | M | 91.8 | Very high | 78.9 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.2 | 173.5 | -175.4 | -178 | -66 | 0 | 0 | 109.7 | F192 V193 L194 | M90-F192 PolarHBondContact N-O 3.38Å; M90-V193 HydrophobicContact CB-CG1 4.38Å; M90-V193 HydrophobicContact CB-CG2 4.37Å; M90-V193 CarbonylContact O-C 3.49Å; M90-V193 WeakPolarHBondContact O-CA 3.47Å; M90-L194 PolarHBondContact O-N 3.13Å |
| 91 | M | 87.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 109.4 | 176.7 | -56.9 | -66.8 | -67.4 | 0 | 0 | 109.2 | L93 L117 G120 V121 L140 F144 L194 | M91-L93 HydrophobicContact CE-CD1 3.86Å; M91-L93 HydrophobicContact CE-CG 4.33Å; M91-L117 HydrophobicContact CB-CD2 3.9Å; M91-L117 HydrophobicContact CE-CD2 4.24Å; M91-L117 HydrophobicContact CG-CD2 4.19Å; M91-G120 PolarHBondContact O-N 2.94Å; M91-V121 HydrophobicContact CB-CB 4.48Å; M91-V121 WeakPolarHBondContact CB-O 2.97Å; M91-V121 WeakPolarHBondContact CG-O 3.15Å; M91-V121 PolarHBondContact N-O 2.9Å; M91-L140 HydrophobicContact CE-CB 4.43Å; M91-L140 HydrophobicContact SD-CB 4.27Å; M91-L140 HydrophobicContact SD-CD1 4.22Å; M91-L140 HydrophobicContact SD-CD2 4.04Å; M91-L140 HydrophobicContact SD-CG 4.41Å; M91-F144 HydrophobicContact CE-CD2 3.41Å; M91-F144 VanDerWaalsContact CE-CD2 3.41Å; M91-F144 HydrophobicContact CE-CE2 3.52Å; M91-F144 HydrophobicContact CE-CG 4.37Å; M91-F144 HydrophobicContact CG-CE2 3.7Å; M91-F144 HydrophobicContact CG-CZ 4.07Å; M91-F144 HydrophobicContact SD-CD2 4.22Å; M91-F144 HydrophobicContact SD-CE2 3.72Å; M91-L194 HydrophobicContact CE-CD2 3.5Å; M91-L194 HydrophobicContact SD-CB 4.14Å; M91-L194 HydrophobicContact SD-CD2 3.7Å |
| 92 | D | 86.2 | Confident | 74.5 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 66.2 | 178.4 | -175.9 | 20.9 | 0 | 0 | 0 | 109.4 | V193 L194 R195 | D92-V193 HydrophobicContact CB-CG1 3.77Å; D92-L194 CarbonylContact C-O 3.57Å; D92-L194 PolarHBondContact N-O 2.92Å; D92-R195 HydrophobicContact CB-CG 4.02Å; D92-R195 IonicContact OD2-CZ 3.51Å; D92-R195 IonicContact OD2-NE 2.88Å; D92-R195 PolarHBondContact OD2-NE 3.37Å; D92-R195 IonicContact OD2-NH2 3.33Å; D92-R195 PolarHBondContact OD2-NH2 3.37Å |
| 93 | L | 78.4 | Confident | 72.1 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | trans | -97.1 | 131.6 | -178.9 | -53.2 | -170.7 | 0 | 0 | 0 | 109.7 | M91 V97 V146 Y153 L194 | M91-L93 HydrophobicContact CE-CD1 3.86Å; M91-L93 HydrophobicContact CE-CG 4.33Å; L93-V97 HydrophobicContact CD1-CG2 4.46Å; L93-V146 HydrophobicContact CD1-CG2 4.48Å; L93-Y153 HydrophobicContact CD1-CE1 4.04Å; L93-Y153 HydrophobicContact CD2-CD1 3.63Å; L93-Y153 HydrophobicContact CD2-CE1 3.57Å; L93-Y153 HydrophobicContact CG-CE1 4.34Å; L93-L194 HydrophobicContact CD2-CD2 4.27Å; L93-L194 HydrophobicContact CD2-CG 4.35Å | ||
| 94 | R | 62.7 | Low | 69.5 | Low | 159 Ų | 159 | 67.2 Ų | 67.2 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | trans | -94.2 | -24.6 | -174.3 | -64.7 | -171.6 | 174.5 | 172.5 | -2.2 | 113.8 | R119 | R94-R119 PolarHBondContact O-NH2 2.9Š| ||
| 95 | R | 60 | Low | 66.9 | Low | 140 Ų | 140 | 68.9 Ų | 68.9 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -95.6 | 153.7 | -172.4 | -74.2 | -174.2 | -167.4 | -92.2 | 0.5 | 113.3 | V97 E196 | R95-V97 PolarHBondContact O-N 3.42Å; R95-E196 WeakPolarHBondContact CD-OE1 3.47Å; R95-E196 WeakPolarHBondContact CD-OE2 3.48Å; R95-E196 VanDerWaalsContact CG-OE2 3.31Å; R95-E196 WeakPolarHBondContact CG-OE2 3.29Å; R95-E196 IonicContact CZ-OE1 2.79Å; R95-E196 IonicContact NE-OE1 3.4Å; R95-E196 PolarHBondContact NE-OE1 2.88Å; R95-E196 IonicContact NE-OE2 2.7Å |
| 96 | P | 53.5 | Low | 64.4 | Low | 60 Ų | 60 | 74.5 Ų | 74.5 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 122 | 163.3 | 20.8 | -29.2 | 0 | 0 | 0 | 108.9 | T98 A114 | P96-T98 PolarHBondContact O-N 2.88Å; P96-A114 HydrophobicContact CB-CB 3.81Å |
| 97 | V | 51.3 | Low | 62.2 | Low | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.3 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 106.8 | L93 R95 V99 A114 F115 V146 | L93-V97 HydrophobicContact CD1-CG2 4.46Å; R95-V97 PolarHBondContact O-N 3.42Å; V97-V99 HydrophobicContact CG1-CG2 4.29Å; V97-V99 PolarHBondContact O-N 2.79Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V97-A114 WeakPolarHBondContact O-CA 3.34Å; V97-F115 PolarHBondContact N-O 2.8Å; V97-F115 VanDerWaalsContact N-O 3.14Å; V97-F115 PolarHBondContact O-N 3.12Å; V97-F115 VanDerWaalsContact O-N 3.08Å; V97-V146 HydrophobicContact CB-CG2 4.32Å; V97-V146 VanDerWaalsContact CG1-CA 3.48Å; V97-V146 HydrophobicContact CG1-CB 3.76Å; V97-V146 HydrophobicContact CG1-CG1 4.04Å; V97-V146 HydrophobicContact CG1-CG2 3.36Å; V97-V146 HydrophobicContact CG2-CG2 3.96Å |
| 98 | T | 50 | Low | 59.8 | Low | 58 Ų | 58 | 79 Ų | 79 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 105.2 | 168.9 | 41.4 | 0 | 0 | 0 | 0 | 108.2 | P96 A147 | P96-T98 PolarHBondContact O-N 2.88Å; T98-A147 VanDerWaalsContact O-CB 3.29Å; T98-A147 WeakPolarHBondContact O-CB 3.2Å; T98-A147 PolarHBondContact O-N 3.03Å; T98-A147 VanDerWaalsContact O-N 3.09Å |
| 99 | V | 48.4 | Very low | 57.3 | Low | 28 Ų | 28 | 80.1 Ų | 80.1 | 17% | 0.17 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | V97 G101 G112 E113 F115 T145 | V97-V99 HydrophobicContact CG1-CG2 4.29Å; V97-V99 PolarHBondContact O-N 2.79Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V99-G101 VanDerWaalsContact C-N 3.32Å; V99-G101 PolarHBondContact O-N 2.67Å; V99-G112 WeakPolarHBondContact O-CA 3.38Å; V99-E113 WeakPolarHBondContact CB-O 3.47Å; V99-E113 PolarHBondContact N-O 2.98Å; V99-E113 PolarHBondContact O-N 3.24Å; V99-F115 HydrophobicContact CB-CD2 4.36Å; V99-F115 HydrophobicContact CG2-CB 4.03Å; V99-F115 HydrophobicContact CG2-CD2 4.16Å; V99-T145 WeakPolarHBondContact CG1-OG1 3.46Å |
| 100 | R | 48.3 | Very low | 54.7 | Low | 192 Ų | 192 | 85.3 Ų | 85.3 | 73% | 0.725 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 96.4 | 167.4 | -73.5 | -175.2 | 173.8 | 168.4 | -0.6 | 108.1 | G102 A147 | R100-G102 PolarHBondContact O-N 3.49Å; R100-A147 HydrophobicContact CG-CB 4.19Å |
| 101 | G | 42.6 | Very low | 52.4 | Low | 21 Ų | 21 | 90.2 Ų | 90.2 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | trans | -58.5 | 127.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V99 Q103 | V99-G101 VanDerWaalsContact C-N 3.32Å; V99-G101 PolarHBondContact O-N 2.67Å; G101-Q103 PolarHBondContact O-N 2.91Å | ||
| 102 | G | 42.6 | Very low | 50.4 | Low | 88 Ų | 88 | 92.2 Ų | 92.2 | 91% | 0.907 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -72.5 | 16.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R100 | R100-G102 PolarHBondContact O-N 3.49Š|
| 103 | Q | 42.9 | Very low | 48.5 | Very low | 172 Ų | 172 | 95.9 Ų | 95.9 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | trans | -107.1 | 109.9 | 177 | -85.3 | 179.4 | -29.7 | 0 | 0 | 111 | G101 A105 | G101-Q103 PolarHBondContact O-N 2.91Å; Q103-A105 PolarHBondContact O-N 3.17Å | ||
| 104 | R | 40.9 | Very low | 47.1 | Very low | 250 Ų | 250 | 98.1 Ų | 98.1 | 94% | 0.943 | 58% | 0.583 | S | S | * | * | trans | -67 | 99 | 164.5 | -71.6 | 178.4 | 175.4 | 157.9 | -1.6 | 108.1 | ||||
| 105 | A | 41.9 | Very low | 46.7 | Very low | 63 Ų | 63 | 96.3 Ų | 96.3 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | trans | -67.8 | 140.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q103 G107 G108 | Q103-A105 PolarHBondContact O-N 3.17Å; A105-G107 PolarHBondContact O-N 3.16Å; A105-G108 PolarHBondContact O-N 2.87Å | ||
| 106 | A | 45.6 | Very low | 46.4 | Very low | 118 Ų | 118 | 98.8 Ų | 98.8 | 98% | 0.975 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 99.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 107 | G | 48.1 | Very low | 46.8 | Very low | 75 Ų | 75 | 98 Ų | 98 | 77% | 0.773 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.5 | -4.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A105 A109 | A105-G107 PolarHBondContact O-N 3.16Å; G107-A109 PolarHBondContact O-N 2.78Å; G107-A109 VanDerWaalsContact O-N 3.15Å |
| 108 | G | 44.9 | Very low | 47.3 | Very low | 77 Ų | 77 | 102 Ų | 102 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 77.1 | -4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A105 | A105-G108 PolarHBondContact O-N 2.87Š|
| 109 | A | 41 | Very low | 48.2 | Very low | 78 Ų | 78 | 106.7 Ų | 106.7 | 65% | 0.645 | 62% | 0.62 | S | S | * | * | trans | -88.6 | 124.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G107 M111 | G107-A109 PolarHBondContact O-N 2.78Å; G107-A109 VanDerWaalsContact O-N 3.15Å; A109-M111 PolarHBondContact O-N 2.74Å | ||
| 110 | T | 40.6 | Very low | 49.4 | Very low | 109 Ų | 109 | 107 Ų | 107 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | trans | -78.2 | 106.3 | 174 | 2.1 | 0 | 0 | 0 | 0 | 108.5 | G112 | T110-G112 PolarHBondContact O-N 2.92Š| ||
| 111 | M | 42.3 | Very low | 51.2 | Low | 157 Ų | 157 | 100.1 Ų | 100.1 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | trans | -77.6 | 106.2 | 172.8 | -167.5 | 166 | 173.4 | 0 | 0 | 108 | A109 | A109-M111 PolarHBondContact O-N 2.74Š| ||
| 112 | G | 46.8 | Very low | 53.4 | Low | 42 Ų | 42 | 103.7 Ų | 103.7 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V99 T110 | V99-G112 WeakPolarHBondContact O-CA 3.38Å; T110-G112 PolarHBondContact O-N 2.92Å |
| 113 | E | 45.3 | Very low | 55.6 | Low | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 128.7 | 171.3 | -75.5 | 179.9 | 157 | 0 | 0 | 109.2 | V99 F115 | V99-E113 WeakPolarHBondContact CB-O 3.47Å; V99-E113 PolarHBondContact N-O 2.98Å; V99-E113 PolarHBondContact O-N 3.24Å; E113-F115 HydrophobicContact CB-CD2 4.01Å; E113-F115 HydrophobicContact CB-CE2 3.64Å; E113-F115 PolarHBondContact O-N 2.9Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.17Å |
| 114 | A | 49.5 | Very low | 58 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 107.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P96 V97 | P96-A114 HydrophobicContact CB-CB 3.81Å; V97-A114 WeakPolarHBondContact O-CA 3.34Å |
| 115 | F | 54.5 | Low | 60.6 | Low | 121 Ų | 121 | 83.5 Ų | 83.5 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.2 | 172.2 | -78.7 | -90.2 | 0 | 0 | 0 | 110.8 | V97 V99 E113 | V97-F115 PolarHBondContact N-O 2.8Å; V97-F115 VanDerWaalsContact N-O 3.14Å; V97-F115 PolarHBondContact O-N 3.12Å; V97-F115 VanDerWaalsContact O-N 3.08Å; V99-F115 HydrophobicContact CB-CD2 4.36Å; V99-F115 HydrophobicContact CG2-CB 4.03Å; V99-F115 HydrophobicContact CG2-CD2 4.16Å; E113-F115 HydrophobicContact CB-CD2 4.01Å; E113-F115 HydrophobicContact CB-CE2 3.64Å; E113-F115 PolarHBondContact O-N 2.9Å; E113-F115 WeakPolarHBondContact OE2-CE2 3.17Å |
| 116 | Y | 53.9 | Low | 63.1 | Low | 191 Ų | 191 | 85.8 Ų | 85.8 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -85 | 119.7 | 175.1 | -64.3 | -87.6 | 0 | 0 | 0 | 109.3 | ||
| 117 | L | 62 | Low | 65.5 | Low | 45 Ų | 45 | 81 Ų | 81 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 127.2 | 160.5 | -167.1 | 67.9 | 0 | 0 | 0 | 107.9 | M91 R119 V121 F144 | M91-L117 HydrophobicContact CB-CD2 3.9Å; M91-L117 HydrophobicContact CE-CD2 4.24Å; M91-L117 HydrophobicContact CG-CD2 4.19Å; L117-R119 PolarHBondContact O-N 3.28Å; L117-V121 HydrophobicContact CD1-CG2 4.48Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; L117-F144 HydrophobicContact CD1-CD1 3.58Å; L117-F144 HydrophobicContact CD1-CE1 3.58Å; L117-F144 HydrophobicContact CD2-CD1 3.78Å; L117-F144 HydrophobicContact CD2-CD2 4.28Å; L117-F144 HydrophobicContact CD2-CE1 3.82Å; L117-F144 HydrophobicContact CD2-CE2 4.3Å; L117-F144 HydrophobicContact CD2-CG 4.02Å; L117-F144 HydrophobicContact CD2-CZ 4.08Å; L117-F144 HydrophobicContact CG-CD1 4.35Å; L117-F144 HydrophobicContact CG-CE1 4.38Å |
| 118 | P | 62.1 | Low | 67.8 | Low | 88 Ų | 88 | 78.5 Ų | 78.5 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -55 | 135.3 | 173.6 | -23.5 | 32.9 | 0 | 0 | 0 | 110.3 | V121 | P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.41Å; P118-V121 VanDerWaalsContact O-CG2 3.23Å; P118-V121 WeakPolarHBondContact O-CG2 3.46Å |
| 119 | R | 68.2 | Low | 70.2 | Confident | 157 Ų | 157 | 75.5 Ų | 75.5 | 59% | 0.592 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 139.2 | 179 | -64.3 | -176.5 | -174.6 | -141.8 | 1.5 | 109.9 | R94 L117 | R94-R119 PolarHBondContact O-NH2 2.9Å; L117-R119 PolarHBondContact O-N 3.28Å |
| 120 | G | 74.1 | Confident | 72.7 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 11.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | M91 I122 | M91-G120 PolarHBondContact O-N 2.94Å; G120-I122 PolarHBondContact O-N 2.78Å |
| 121 | V | 84.9 | Confident | 75.3 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 123.3 | 171.8 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | M91 L117 P118 F144 | M91-V121 HydrophobicContact CB-CB 4.48Å; M91-V121 WeakPolarHBondContact CB-O 2.97Å; M91-V121 WeakPolarHBondContact CG-O 3.15Å; M91-V121 PolarHBondContact N-O 2.9Å; L117-V121 HydrophobicContact CD1-CG2 4.48Å; L117-V121 HydrophobicContact CG-CG2 4.4Å; P118-V121 HydrophobicContact CB-CG2 4.01Å; P118-V121 HydrophobicContact CG-CG2 4.41Å; P118-V121 VanDerWaalsContact O-CG2 3.23Å; P118-V121 WeakPolarHBondContact O-CG2 3.46Å; V121-F144 HydrophobicContact CG1-CE1 4.5Å; V121-F144 HydrophobicContact CG1-CZ 4.21Å |
| 122 | I | 88.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.1 | 175.4 | -60.1 | 175.3 | 0 | 0 | 0 | 108.5 | K88 G120 | K88-I122 HydrophobicContact CB-CG2 3.88Å; K88-I122 HydrophobicContact CG-CG2 4.3Å; G120-I122 PolarHBondContact O-N 2.78Å |
| 123 | N | 90.2 | Very high | 80.1 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.053 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.3 | 173.7 | -157.4 | -25.4 | 0 | 0 | 0 | 109.8 | K88 V89 L140 K143 F144 | K88-N123 WeakPolarHBondContact CA-O 3.19Å; V89-N123 PolarHBondContact N-O 2.94Å; V89-N123 PolarHBondContact O-N 3.33Å; N123-L140 HydrophobicContact CB-CD2 3.77Å; N123-K143 WeakPolarHBondContact ND2-CD 3.41Å; N123-K143 WeakPolarHBondContact ND2-CE 3.34Å; N123-K143 PolarHBondContact OD1-NZ 2.84Å; N123-F144 HydrophobicContact CB-CE2 4.24Å; N123-F144 HydrophobicContact CB-CZ 4.24Å; N123-F144 WeakPolarHBondContact ND2-CE2 3.47Å; N123-F144 WeakPolarHBondContact ND2-CZ 3.47Å |
| 124 | T | 92.9 | Very high | 82.3 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.4 | 175.1 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | L73 F86 V87 K88 | L73-T124 HydrophobicContact CD1-CG2 4.08Å; L73-T124 HydrophobicContact CD2-CG2 4.5Å; F86-T124 HydrophobicContact CB-CG2 4.19Å; F86-T124 HydrophobicContact CD1-CG2 4.01Å; V87-T124 WeakPolarHBondContact O-CA 3.37Å; K88-T124 HydrophobicContact CG-CG2 4.27Å |
| 125 | L | 93.9 | Very high | 84.5 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.1 | 179.5 | -59.6 | 173.1 | 0 | 0 | 0 | 109.7 | F86 V87 I127 V136 L140 | F86-L125 CarbonylContact C-O 3.5Å; F86-L125 WeakPolarHBondContact CA-O 3.36Å; V87-L125 HydrophobicContact CG2-CB 4.08Å; V87-L125 HydrophobicContact CG2-CD1 4.46Å; V87-L125 PolarHBondContact N-O 2.94Å; V87-L125 PolarHBondContact O-N 2.98Å; L125-I127 HydrophobicContact CB-CG2 3.98Å; L125-V136 HydrophobicContact CD1-CG1 3.8Å; L125-L140 HydrophobicContact CD1-CD1 4.28Å; L125-L140 HydrophobicContact CD1-CD2 3.74Å; L125-L140 HydrophobicContact CD1-CG 3.84Å; L125-L140 HydrophobicContact CD2-CD2 4.01Å; L125-L140 HydrophobicContact CG-CD2 4.07Å |
| 126 | H | 94.9 | Very high | 86.3 | Confident | 111 Ų | 111 | 62 Ų | 62 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119 | 165 | -176 | -113.1 | 0 | 0 | 0 | 108.7 | G85 F86 | G85-H126 WeakPolarHBondContact O-CA 3.47Å; G85-H126 PolarHBondContact O-CD2 3.06Å; G85-H126 VanDerWaalsContact O-CD2 3.3Å; F86-H126 HydrophobicContact CD1-CB 3.95Å; F86-H126 HydrophobicContact CE1-CB 3.72Å; F86-H126 AromaticContact CE1-CD2 3.8Å; F86-H126 AromaticContact CE2-CD2 3.86Å; F86-H126 HydrophobicContact CZ-CB 4.39Å; F86-H126 AromaticContact CZ-CD2 3.65Å |
| 127 | I | 96.3 | Very high | 88.1 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 164.3 | -174.1 | 61.9 | 169 | 0 | 0 | 0 | 110.9 | T84 G85 V87 L125 N131 V136 P176 L177 | T84-I127 VanDerWaalsContact CA-O 3.3Å; T84-I127 WeakPolarHBondContact CA-O 3.22Å; G85-I127 PolarHBondContact N-O 3.48Å; G85-I127 PolarHBondContact O-N 3Å; V87-I127 HydrophobicContact CB-CD1 4.34Å; V87-I127 HydrophobicContact CG1-CD1 3.82Å; V87-I127 HydrophobicContact CG1-CG1 4.31Å; V87-I127 HydrophobicContact CG2-CD1 3.54Å; V87-I127 HydrophobicContact CG2-CG1 4.03Å; L125-I127 HydrophobicContact CB-CG2 3.98Å; I127-N131 HydrophobicContact CB-CB 4.18Å; I127-N131 WeakPolarHBondContact CB-OD1 3.49Å; I127-V136 HydrophobicContact CD1-CG2 4.14Å; I127-V136 HydrophobicContact CG2-CG2 4.49Å; I127-P176 HydrophobicContact CD1-CB 4.44Å; I127-L177 HydrophobicContact CD1-CB 3.83Å; I127-L177 HydrophobicContact CG1-CB 4.03Å; I127-L177 HydrophobicContact CG1-CD1 4.08Å; I127-L177 HydrophobicContact CG1-CD2 4.46Å; I127-L177 HydrophobicContact CG1-CG 4.41Å; I127-L177 WeakPolarHBondContact O-CD2 3.22Å |
| 128 | S | 96.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 166.7 | 171.3 | 79.5 | 0 | 0 | 0 | 0 | 111.8 | F83 E130 N131 L177 | F83-S128 CarbonylContact O-C 3.6Å; F83-S128 WeakPolarHBondContact O-CA 3.35Å; S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 2.91Å; S128-N131 PolarHBondContact N-OD1 3.25Å; S128-N131 PolarHBondContact O-N 2.97Å; S128-N131 PolarHBondContact OG-OD1 2.77Å; S128-L177 VanDerWaalsContact C-CD2 3.5Å |
| 129 | S | 94.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12 | 174.1 | 60 | 0 | 0 | 0 | 0 | 113.5 | V82 F83 K175 | V82-S129 WeakPolarHBondContact CG1-OG 3.48Å; F83-S129 VanDerWaalsContact CZ-CB 3.48Å; F83-S129 PolarHBondContact N-OG 2.79Å; F83-S129 WeakPolarHBondContact O-CB 3.39Å; F83-S129 PolarHBondContact O-N 3.3Å; F83-S129 PolarHBondContact O-OG 2.87Å; S129-K175 WeakPolarHBondContact O-CD 3.04Å; S129-K175 WeakPolarHBondContact O-CE 3.15Å |
| 130 | E | 94.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 45 Ų | 45 | 55% | 0.547 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -16.5 | 177 | -62.1 | 179.9 | 146 | 0 | 0 | 112.3 | V82 S128 T132 | V82-E130 HydrophobicContact CG1-CG 4.24Å; V82-E130 HydrophobicContact CG2-CG 4.14Å; V82-E130 WeakPolarHBondContact CG2-OE1 3.05Å; S128-E130 PolarHBondContact O-N 3.39Å; S128-E130 PolarHBondContact OG-N 2.91Å; E130-T132 PolarHBondContact O-N 3.21Å |
| 131 | N | 95.9 | Very high | 92.2 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | trans | -67.6 | 126.2 | -178.5 | -70.7 | 125.8 | 0 | 0 | 0 | 111.6 | I127 S128 Q135 P176 | I127-N131 HydrophobicContact CB-CB 4.18Å; I127-N131 WeakPolarHBondContact CB-OD1 3.49Å; S128-N131 PolarHBondContact N-OD1 3.25Å; S128-N131 PolarHBondContact O-N 2.97Å; S128-N131 PolarHBondContact OG-OD1 2.77Å; N131-Q135 VanDerWaalsContact CA-OE1 3.27Å; N131-Q135 PolarHBondContact ND2-OE1 3.08Å; N131-P176 WeakPolarHBondContact O-CD 3.49Å | ||
| 132 | T | 95.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 47 Ų | 47 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | trans | -88 | 162.6 | 178.9 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | E130 K134 Q135 V136 D172 E174 | E130-T132 PolarHBondContact O-N 3.21Å; T132-K134 PolarHBondContact O-N 3.18Å; T132-Q135 PolarHBondContact O-N 3.46Å; T132-Q135 VanDerWaalsContact O-N 3.1Å; T132-Q135 PolarHBondContact OG1-N 3.23Å; T132-V136 WeakPolarHBondContact O-CG2 3.37Å; T132-V136 PolarHBondContact O-N 3.33Å; T132-D172 VanDerWaalsContact CB-O 3.26Å; T132-D172 WeakPolarHBondContact CB-O 3.3Å; T132-D172 PolarHBondContact OG1-O 3.08Å; T132-E174 CarbonylContact C-O 3.46Å; T132-E174 VanDerWaalsContact CA-O 3.25Å; T132-E174 WeakPolarHBondContact CA-O 3.46Å | ||
| 133 | V | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.2 | -46.3 | 172.5 | 167.9 | 0 | 0 | 0 | 0 | 111 | Q135 V136 I137 L155 L170 A171 D172 E174 P176 | V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.21Å; V133-V136 PolarHBondContact O-N 2.96Å; V133-V136 VanDerWaalsContact O-N 3.14Å; V133-I137 HydrophobicContact CG1-CD1 3.67Å; V133-I137 HydrophobicContact CG1-CG1 4.26Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.22Å; V133-I137 PolarHBondContact O-N 2.88Å; V133-L155 HydrophobicContact CG1-CB 3.66Å; V133-L155 HydrophobicContact CG1-CD2 4.17Å; V133-L155 HydrophobicContact CG2-CD2 4.3Å; V133-L170 HydrophobicContact CG1-CB 4.3Å; V133-L170 HydrophobicContact CG2-CB 3.76Å; V133-L170 HydrophobicContact CG2-CD1 4.03Å; V133-A171 WeakPolarHBondContact CB-O 3.36Å; V133-A171 WeakPolarHBondContact CG2-O 3.45Å; V133-D172 PolarHBondContact N-O 3.01Å; V133-E174 HydrophobicContact CG2-CB 3.99Å; V133-E174 WeakPolarHBondContact CG2-O 3.25Å; V133-E174 PolarHBondContact N-O 3.24Å; V133-P176 HydrophobicContact CB-CG 4.49Å; V133-P176 HydrophobicContact CG2-CG 3.7Å |
| 134 | K | 91.5 | Very high | 90.8 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 47% | 0.47 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 178.4 | -174.8 | 175 | 179.7 | 172.4 | 0 | 112.5 | T132 I137 M138 D172 | T132-K134 PolarHBondContact O-N 3.18Å; K134-I137 PolarHBondContact O-N 2.94Å; K134-M138 HydrophobicContact CG-CE 4.17Å; K134-M138 WeakPolarHBondContact O-CG 3.38Å; K134-M138 PolarHBondContact O-N 2.82Å; K134-D172 HydrophobicContact CB-CB 4.07Å; K134-D172 PolarHBondContact N-O 3.34Å; K134-D172 VanDerWaalsContact N-O 3.14Å |
| 135 | Q | 93.8 | Very high | 89.5 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 177.6 | -69 | 175.9 | -15 | 0 | 0 | 112 | N131 T132 V133 M138 A139 | N131-Q135 VanDerWaalsContact CA-OE1 3.27Å; N131-Q135 PolarHBondContact ND2-OE1 3.08Å; T132-Q135 PolarHBondContact O-N 3.46Å; T132-Q135 VanDerWaalsContact O-N 3.1Å; T132-Q135 PolarHBondContact OG1-N 3.23Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-Q135 PolarHBondContact O-N 3.21Å; Q135-M138 HydrophobicContact CB-CE 4.5Å; Q135-M138 HydrophobicContact CG-CE 4.17Å; Q135-M138 PolarHBondContact O-N 2.85Å; Q135-A139 WeakPolarHBondContact O-CB 3.18Å; Q135-A139 PolarHBondContact O-N 2.83Å |
| 136 | V | 93.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | V89 L125 I127 T132 V133 A139 L140 L155 P176 | V89-V136 HydrophobicContact CG2-CG1 4.44Å; L125-V136 HydrophobicContact CD1-CG1 3.8Å; I127-V136 HydrophobicContact CD1-CG2 4.14Å; I127-V136 HydrophobicContact CG2-CG2 4.49Å; T132-V136 WeakPolarHBondContact O-CG2 3.37Å; T132-V136 PolarHBondContact O-N 3.33Å; V133-V136 PolarHBondContact O-N 2.96Å; V133-V136 VanDerWaalsContact O-N 3.14Å; V136-A139 PolarHBondContact O-N 2.78Å; V136-L140 HydrophobicContact CG1-CD1 3.95Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.39Å; V136-L140 PolarHBondContact O-N 2.82Å; V136-L155 HydrophobicContact CG1-CD2 4.3Å; V136-P176 HydrophobicContact CG2-CG 4.1Å |
| 137 | I | 91.3 | Very high | 86.5 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 174.8 | -66.6 | 167.3 | 0 | 0 | 0 | 109.9 | V133 K134 A139 L140 L141 P150 L155 L194 | V133-I137 HydrophobicContact CG1-CD1 3.67Å; V133-I137 HydrophobicContact CG1-CG1 4.26Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.22Å; V133-I137 PolarHBondContact O-N 2.88Å; K134-I137 PolarHBondContact O-N 2.94Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 2.81Å; I137-L140 PolarHBondContact O-N 2.86Å; I137-L141 HydrophobicContact CG2-CD1 3.69Å; I137-L141 HydrophobicContact CG2-CG 4.27Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.01Å; I137-P150 HydrophobicContact CG2-CB 4.4Å; I137-L155 HydrophobicContact CD1-CB 4.21Å; I137-L155 HydrophobicContact CG1-CB 4.2Å; I137-L194 HydrophobicContact CB-CD1 4.39Å; I137-L194 HydrophobicContact CG1-CD1 3.76Å; I137-L194 HydrophobicContact CG2-CD1 4.21Å |
| 138 | M | 89 | Confident | 85.1 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 35% | 0.345 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 178.9 | -70.6 | -174.6 | -61.7 | 0 | 0 | 112.3 | K134 Q135 L140 L141 N142 P150 | K134-M138 HydrophobicContact CG-CE 4.17Å; K134-M138 WeakPolarHBondContact O-CG 3.38Å; K134-M138 PolarHBondContact O-N 2.82Å; Q135-M138 HydrophobicContact CB-CE 4.5Å; Q135-M138 HydrophobicContact CG-CE 4.17Å; Q135-M138 PolarHBondContact O-N 2.85Å; M138-L140 PolarHBondContact O-N 3.03Å; M138-L141 PolarHBondContact O-N 2.85Å; M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.47Å; M138-N142 PolarHBondContact O-N 3.46Å; M138-N142 PolarHBondContact O-ND2 3.31Å; M138-P150 HydrophobicContact CG-CB 4.17Å; M138-P150 HydrophobicContact CG-CG 4.46Å |
| 139 | A | 90.2 | Very high | 84 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q135 V136 I137 K143 | Q135-A139 WeakPolarHBondContact O-CB 3.18Å; Q135-A139 PolarHBondContact O-N 2.83Å; V136-A139 PolarHBondContact O-N 2.78Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 2.81Å; A139-K143 VanDerWaalsContact O-CB 3.29Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.87Å |
| 140 | L | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -50 | 175.9 | -72.9 | 167.5 | 0 | 0 | 0 | 111.3 | V89 M91 N123 L125 V136 I137 M138 N142 K143 F144 L194 | V89-L140 HydrophobicContact CB-CD1 3.92Å; V89-L140 HydrophobicContact CG1-CD1 3.65Å; V89-L140 HydrophobicContact CG2-CD1 4.1Å; M91-L140 HydrophobicContact CE-CB 4.43Å; M91-L140 HydrophobicContact SD-CB 4.27Å; M91-L140 HydrophobicContact SD-CD1 4.22Å; M91-L140 HydrophobicContact SD-CD2 4.04Å; M91-L140 HydrophobicContact SD-CG 4.41Å; N123-L140 HydrophobicContact CB-CD2 3.77Å; L125-L140 HydrophobicContact CD1-CD1 4.28Å; L125-L140 HydrophobicContact CD1-CD2 3.74Å; L125-L140 HydrophobicContact CD1-CG 3.84Å; L125-L140 HydrophobicContact CD2-CD2 4.01Å; L125-L140 HydrophobicContact CG-CD2 4.07Å; V136-L140 HydrophobicContact CG1-CD1 3.95Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.39Å; V136-L140 PolarHBondContact O-N 2.82Å; I137-L140 PolarHBondContact O-N 2.86Å; M138-L140 PolarHBondContact O-N 3.03Å; L140-N142 PolarHBondContact O-N 3.1Å; L140-K143 PolarHBondContact O-N 3.3Å; L140-F144 HydrophobicContact CD2-CE2 4.48Å; L140-F144 WeakPolarHBondContact O-CD2 3.17Å; L140-F144 PolarHBondContact O-N 2.81Å; L140-F144 VanDerWaalsContact O-N 3.1Å; L140-L194 HydrophobicContact CB-CD2 4.25Å; L140-L194 HydrophobicContact CD1-CD2 4.26Å |
| 141 | L | 84.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | -178.5 | -65.3 | 175.2 | 0 | 0 | 0 | 111.8 | I137 M138 K143 F144 T145 V146 P150 Y153 L194 | I137-L141 HydrophobicContact CG2-CD1 3.69Å; I137-L141 HydrophobicContact CG2-CG 4.27Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.01Å; M138-L141 PolarHBondContact O-N 2.85Å; L141-K143 PolarHBondContact O-N 3.25Å; L141-F144 CarbonylContact O-C 3.44Å; L141-F144 PolarHBondContact O-N 2.96Å; L141-T145 PolarHBondContact O-N 3.39Å; L141-V146 HydrophobicContact CB-CB 4.13Å; L141-V146 HydrophobicContact CD2-CB 3.93Å; L141-V146 HydrophobicContact CD2-CG1 3.9Å; L141-V146 HydrophobicContact CD2-CG2 3.94Å; L141-V146 PolarHBondContact O-N 3.42Å; L141-P150 HydrophobicContact CD1-CB 3.87Å; L141-Y153 HydrophobicContact CD1-CD2 3.44Å; L141-Y153 VanDerWaalsContact CD1-CD2 3.44Å; L141-Y153 HydrophobicContact CD1-CE2 3.95Å; L141-Y153 HydrophobicContact CD1-CG 4.04Å; L141-Y153 HydrophobicContact CD2-CD1 4.14Å; L141-Y153 HydrophobicContact CD2-CD2 3.73Å; L141-Y153 HydrophobicContact CD2-CE1 4.17Å; L141-Y153 HydrophobicContact CD2-CE2 3.74Å; L141-Y153 HydrophobicContact CD2-CG 3.92Å; L141-Y153 HydrophobicContact CG-CD2 4.23Å; L141-L194 HydrophobicContact CD2-CD2 4.19Å |
| 142 | N | 83.4 | Confident | 81.8 | Confident | 122 Ų | 122 | 49.8 Ų | 49.8 | 65% | 0.652 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 175.7 | -74.4 | -19.5 | 0 | 0 | 0 | 112 | M138 L140 F144 T145 | M138-N142 VanDerWaalsContact O-CB 3.31Å; M138-N142 WeakPolarHBondContact O-CB 3.47Å; M138-N142 PolarHBondContact O-N 3.46Å; M138-N142 PolarHBondContact O-ND2 3.31Å; L140-N142 PolarHBondContact O-N 3.1Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.25Å; N142-T145 PolarHBondContact O-N 3.36Å |
| 143 | K | 81.8 | Confident | 81.3 | Confident | 125 Ų | 125 | 48.7 Ų | 48.7 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 178.5 | 178.7 | 169.8 | 171.7 | -177.5 | 0 | 112.5 | N123 A139 L140 L141 T145 | N123-K143 WeakPolarHBondContact ND2-CD 3.41Å; N123-K143 WeakPolarHBondContact ND2-CE 3.34Å; N123-K143 PolarHBondContact OD1-NZ 2.84Å; A139-K143 VanDerWaalsContact O-CB 3.29Å; A139-K143 WeakPolarHBondContact O-CB 3.45Å; A139-K143 PolarHBondContact O-N 2.87Å; L140-K143 PolarHBondContact O-N 3.3Å; L141-K143 PolarHBondContact O-N 3.25Å; K143-T145 VanDerWaalsContact C-N 3.35Å |
| 144 | F | 69.4 | Low | 81.1 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 12.6 | 175 | -66.7 | -71 | 0 | 0 | 0 | 113.3 | M91 L117 V121 N123 L140 L141 N142 V146 | M91-F144 HydrophobicContact CE-CD2 3.41Å; M91-F144 VanDerWaalsContact CE-CD2 3.41Å; M91-F144 HydrophobicContact CE-CE2 3.52Å; M91-F144 HydrophobicContact CE-CG 4.37Å; M91-F144 HydrophobicContact CG-CE2 3.7Å; M91-F144 HydrophobicContact CG-CZ 4.07Å; M91-F144 HydrophobicContact SD-CD2 4.22Å; M91-F144 HydrophobicContact SD-CE2 3.72Å; L117-F144 HydrophobicContact CD1-CD1 3.58Å; L117-F144 HydrophobicContact CD1-CE1 3.58Å; L117-F144 HydrophobicContact CD2-CD1 3.78Å; L117-F144 HydrophobicContact CD2-CD2 4.28Å; L117-F144 HydrophobicContact CD2-CE1 3.82Å; L117-F144 HydrophobicContact CD2-CE2 4.3Å; L117-F144 HydrophobicContact CD2-CG 4.02Å; L117-F144 HydrophobicContact CD2-CZ 4.08Å; L117-F144 HydrophobicContact CG-CD1 4.35Å; L117-F144 HydrophobicContact CG-CE1 4.38Å; V121-F144 HydrophobicContact CG1-CE1 4.5Å; V121-F144 HydrophobicContact CG1-CZ 4.21Å; N123-F144 HydrophobicContact CB-CE2 4.24Å; N123-F144 HydrophobicContact CB-CZ 4.24Å; N123-F144 WeakPolarHBondContact ND2-CE2 3.47Å; N123-F144 WeakPolarHBondContact ND2-CZ 3.47Å; L140-F144 HydrophobicContact CD2-CE2 4.48Å; L140-F144 WeakPolarHBondContact O-CD2 3.17Å; L140-F144 PolarHBondContact O-N 2.81Å; L140-F144 VanDerWaalsContact O-N 3.1Å; L141-F144 CarbonylContact O-C 3.44Å; L141-F144 PolarHBondContact O-N 2.96Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.25Å; F144-V146 HydrophobicContact CB-CG2 3.93Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-V146 VanDerWaalsContact O-N 3.08Å |
| 145 | T | 66 | Low | 81.2 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 29.4 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | V99 L141 N142 K143 A147 | V99-T145 WeakPolarHBondContact CG1-OG1 3.46Å; L141-T145 PolarHBondContact O-N 3.39Å; N142-T145 PolarHBondContact O-N 3.36Å; K143-T145 VanDerWaalsContact C-N 3.35Å; T145-A147 PolarHBondContact O-N 2.77Å |
| 146 | V | 65.4 | Low | 81.1 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -71.6 | 111.5 | 179 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L93 V97 L141 F144 D148 Y153 | L93-V146 HydrophobicContact CD1-CG2 4.48Å; V97-V146 HydrophobicContact CB-CG2 4.32Å; V97-V146 VanDerWaalsContact CG1-CA 3.48Å; V97-V146 HydrophobicContact CG1-CB 3.76Å; V97-V146 HydrophobicContact CG1-CG1 4.04Å; V97-V146 HydrophobicContact CG1-CG2 3.36Å; V97-V146 HydrophobicContact CG2-CG2 3.96Å; L141-V146 HydrophobicContact CB-CB 4.13Å; L141-V146 HydrophobicContact CD2-CB 3.93Å; L141-V146 HydrophobicContact CD2-CG1 3.9Å; L141-V146 HydrophobicContact CD2-CG2 3.94Å; L141-V146 PolarHBondContact O-N 3.42Å; F144-V146 HydrophobicContact CB-CG2 3.93Å; F144-V146 PolarHBondContact O-N 3.36Å; F144-V146 VanDerWaalsContact O-N 3.08Å; V146-D148 HydrophobicContact CG1-CB 3.83Å; V146-D148 PolarHBondContact O-N 2.93Å; V146-Y153 HydrophobicContact CG1-CE2 4.06Å; V146-Y153 WeakPolarHBondContact CG1-OH 3.41Å |
| 147 | A | 59.2 | Low | 81.1 | Confident | 47 Ų | 47 | 43 Ų | 43 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | trans | -79.9 | -1.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T98 R100 T145 | T98-A147 VanDerWaalsContact O-CB 3.29Å; T98-A147 WeakPolarHBondContact O-CB 3.2Å; T98-A147 PolarHBondContact O-N 3.03Å; T98-A147 VanDerWaalsContact O-N 3.09Å; R100-A147 HydrophobicContact CG-CB 4.19Å; T145-A147 PolarHBondContact O-N 2.77Å | ||
| 148 | D | 67.3 | Low | 81 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.171 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -69.7 | 155 | 178.3 | -85.7 | -52.1 | 0 | 0 | 0 | 113.2 | V146 K152 Y153 | V146-D148 HydrophobicContact CG1-CB 3.83Å; V146-D148 PolarHBondContact O-N 2.93Å; D148-K152 HydrophobicContact CB-CD 4.32Å; D148-K152 IonicContact OD1-NZ 3.54Å; D148-K152 PolarHBondContact OD1-NZ 2.74Å; D148-Y153 HydrophobicContact CB-CE2 3.63Å; D148-Y153 PolarHBondContact OD2-OH 3.4Å; D148-Y153 VanDerWaalsContact OD2-OH 3.1Å |
| 149 | N | 73.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | trans | -59.4 | 124.8 | 174.2 | -177.9 | -12.8 | 0 | 0 | 0 | 110.1 | A151 K152 | N149-A151 PolarHBondContact O-N 3.01Å; N149-A151 VanDerWaalsContact OD1-CB 3.3Å; N149-A151 WeakPolarHBondContact OD1-CB 3.11Å; N149-A151 PolarHBondContact OD1-N 3.49Å; N149-K152 HydrophobicContact CB-CG 4.35Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.24Å | ||
| 150 | P | 79 | Confident | 80.4 | Confident | 51 Ų | 51 | 50 Ų | 50 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -56.4 | -25.4 | 178.5 | 22.8 | -34.7 | 0 | 0 | 0 | 113.4 | I137 M138 L141 K152 Y153 | I137-P150 HydrophobicContact CG2-CB 4.4Å; M138-P150 HydrophobicContact CG-CB 4.17Å; M138-P150 HydrophobicContact CG-CG 4.46Å; L141-P150 HydrophobicContact CD1-CB 3.87Å; P150-K152 PolarHBondContact O-N 3.06Å; P150-Y153 PolarHBondContact O-N 3Å |
| 151 | A | 77.8 | Confident | 79.7 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -66.8 | -15.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | N149 Y153 M203 | N149-A151 PolarHBondContact O-N 3.01Å; N149-A151 VanDerWaalsContact OD1-CB 3.3Å; N149-A151 WeakPolarHBondContact OD1-CB 3.11Å; N149-A151 PolarHBondContact OD1-N 3.49Å; A151-Y153 PolarHBondContact O-N 2.97Å; A151-M203 HydrophobicContact CB-CB 4.44Å; A151-M203 HydrophobicContact CB-CE 4.39Å; A151-M203 HydrophobicContact CB-CG 4.04Å |
| 152 | K | 80.8 | Confident | 79.2 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 39% | 0.391 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -75.3 | -10.6 | 171.2 | -64 | -177.8 | -176.1 | 176.5 | 0 | 112.7 | D148 N149 P150 E196 Q197 | D148-K152 HydrophobicContact CB-CD 4.32Å; D148-K152 IonicContact OD1-NZ 3.54Å; D148-K152 PolarHBondContact OD1-NZ 2.74Å; N149-K152 HydrophobicContact CB-CG 4.35Å; N149-K152 WeakPolarHBondContact O-CB 3.43Å; N149-K152 PolarHBondContact O-N 3.24Å; P150-K152 PolarHBondContact O-N 3.06Å; K152-E196 CarbonylContact O-C 3.54Å; K152-E196 WeakPolarHBondContact O-CA 3.34Å; K152-Q197 PolarHBondContact O-N 3.03Å |
| 153 | Y | 86.2 | Confident | 78.7 | Confident | 10 Ų | 10 | 64 Ų | 64 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.6 | -175.2 | -58.6 | -84.4 | 0 | 0 | 0 | 110.1 | L93 L141 V146 D148 P150 A151 R195 E196 | L93-Y153 HydrophobicContact CD1-CE1 4.04Å; L93-Y153 HydrophobicContact CD2-CD1 3.63Å; L93-Y153 HydrophobicContact CD2-CE1 3.57Å; L93-Y153 HydrophobicContact CG-CE1 4.34Å; L141-Y153 HydrophobicContact CD1-CD2 3.44Å; L141-Y153 VanDerWaalsContact CD1-CD2 3.44Å; L141-Y153 HydrophobicContact CD1-CE2 3.95Å; L141-Y153 HydrophobicContact CD1-CG 4.04Å; L141-Y153 HydrophobicContact CD2-CD1 4.14Å; L141-Y153 HydrophobicContact CD2-CD2 3.73Å; L141-Y153 HydrophobicContact CD2-CE1 4.17Å; L141-Y153 HydrophobicContact CD2-CE2 3.74Å; L141-Y153 HydrophobicContact CD2-CG 3.92Å; L141-Y153 HydrophobicContact CG-CD2 4.23Å; V146-Y153 HydrophobicContact CG1-CE2 4.06Å; V146-Y153 WeakPolarHBondContact CG1-OH 3.41Å; D148-Y153 HydrophobicContact CB-CE2 3.63Å; D148-Y153 PolarHBondContact OD2-OH 3.4Å; D148-Y153 VanDerWaalsContact OD2-OH 3.1Å; P150-Y153 PolarHBondContact O-N 3Å; A151-Y153 PolarHBondContact O-N 2.97Å; Y153-R195 WeakPolarHBondContact CA-O 3.45Å; Y153-E196 HydrophobicContact CD1-CB 4.36Å; Y153-E196 HydrophobicContact CE1-CB 4.29Å; Y153-E196 HydrophobicContact CE1-CG 4.39Å |
| 154 | A | 90.6 | Very high | 78.5 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y156 K169 R195 Q197 | A154-Y156 HydrophobicContact CB-CD2 4.42Å; A154-Y156 HydrophobicContact CB-CE2 3.7Å; A154-Y156 WeakPolarHBondContact O-CD2 3.45Å; A154-K169 HydrophobicContact CB-CD 4.3Å; A154-K169 HydrophobicContact CB-CG 4.24Å; A154-R195 PolarHBondContact N-O 3.39Å; A154-R195 PolarHBondContact O-N 2.79Å; A154-Q197 HydrophobicContact CB-CB 4.18Å; A154-Q197 VanDerWaalsContact CB-OE1 3.32Å |
| 155 | L | 93.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.9 | 172.9 | -164.5 | 66.8 | 0 | 0 | 0 | 108.6 | V89 V133 V136 I137 L170 P176 F192 L194 | V89-L155 HydrophobicContact CG1-CD1 3.59Å; V89-L155 HydrophobicContact CG2-CD1 4.4Å; V133-L155 HydrophobicContact CG1-CB 3.66Å; V133-L155 HydrophobicContact CG1-CD2 4.17Å; V133-L155 HydrophobicContact CG2-CD2 4.3Å; V136-L155 HydrophobicContact CG1-CD2 4.3Å; I137-L155 HydrophobicContact CD1-CB 4.21Å; I137-L155 HydrophobicContact CG1-CB 4.2Å; L155-L170 HydrophobicContact CB-CD1 4.36Å; L155-L170 HydrophobicContact CD2-CD1 3.88Å; L155-L170 HydrophobicContact CG-CD1 4.01Å; L155-L170 WeakPolarHBondContact O-CB 3.4Å; L155-L170 PolarHBondContact O-N 3.1Å; L155-P176 HydrophobicContact CD2-CG 4.07Å; L155-F192 HydrophobicContact CD1-CB 4.25Å; L155-F192 HydrophobicContact CD2-CD1 4.47Å; L155-L194 HydrophobicContact CD1-CB 4.28Å; L155-L194 HydrophobicContact CD1-CD1 4.25Å |
| 156 | Y | 92.2 | Very high | 79.8 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.7 | 177.8 | -66.6 | -98.3 | 0 | 0 | 0 | 109.9 | A154 V167 C168 K169 F192 V193 R195 | A154-Y156 HydrophobicContact CB-CD2 4.42Å; A154-Y156 HydrophobicContact CB-CE2 3.7Å; A154-Y156 WeakPolarHBondContact O-CD2 3.45Å; Y156-V167 HydrophobicContact CD1-CG1 3.88Å; Y156-V167 HydrophobicContact CG-CG1 4.19Å; Y156-C168 CarbonylContact C-O 3.57Å; Y156-C168 VanDerWaalsContact CA-O 3.22Å; Y156-C168 WeakPolarHBondContact CA-O 3.37Å; Y156-K169 HydrophobicContact CD1-CB 4.04Å; Y156-K169 HydrophobicContact CE1-CB 3.75Å; Y156-K169 HydrophobicContact CE1-CG 4.43Å; Y156-F192 WeakPolarHBondContact O-CA 3.47Å; Y156-V193 PolarHBondContact N-O 3.11Å; Y156-V193 PolarHBondContact O-N 3.21Å; Y156-R195 HydrophobicContact CD2-CB 3.94Å; Y156-R195 HydrophobicContact CD2-CG 4.26Å; Y156-R195 HydrophobicContact CE2-CB 3.74Å; Y156-R195 HydrophobicContact CE2-CG 4.46Å |
| 157 | K | 92.5 | Very high | 80.8 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 13% | 0.13 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128 | 162.6 | 59.4 | 179 | 176.5 | -159.5 | 0 | 108.5 | E46 V167 C168 L170 L190 | E46-K157 IonicContact OE1-NZ 3.17Å; E46-K157 PolarHBondContact OE1-NZ 2.88Å; K157-V167 WeakPolarHBondContact O-CA 3.45Å; K157-C168 HydrophobicContact CD-CB 4.29Å; K157-C168 VanDerWaalsContact CE-CB 3.46Å; K157-C168 HydrophobicContact CG-CB 3.81Å; K157-C168 PolarHBondContact N-O 2.7Å; K157-C168 PolarHBondContact O-N 3.37Å; K157-L170 HydrophobicContact CB-CD1 4.41Å; K157-L170 HydrophobicContact CB-CD2 3.89Å; K157-L170 HydrophobicContact CB-CG 4.2Å; K157-L170 HydrophobicContact CD-CD2 3.64Å; K157-L170 HydrophobicContact CG-CD2 3.71Å; K157-L170 HydrophobicContact CG-CG 4.29Å; K157-L190 HydrophobicContact CB-CD1 3.78Å |
| 158 | R | 91.2 | Very high | 82.2 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.7 | 169.3 | -180 | 179 | 74.9 | 169 | 8.7 | 108.1 | V165 Y166 V167 L190 S191 | R158-V165 HydrophobicContact CG-CG1 3.43Å; R158-V165 VanDerWaalsContact CG-CG1 3.43Å; R158-Y166 CarbonylContact C-O 3.55Å; R158-Y166 VanDerWaalsContact CA-O 3.26Å; R158-Y166 WeakPolarHBondContact CA-O 3.47Å; R158-V167 HydrophobicContact CB-CG2 4.25Å; R158-V167 HydrophobicContact CG-CG2 4.01Å; R158-L190 CarbonylContact O-C 3.54Å; R158-L190 WeakPolarHBondContact O-CA 3.43Å; R158-S191 WeakPolarHBondContact CB-OG 3.3Å; R158-S191 PolarHBondContact N-O 3.09Å; R158-S191 PolarHBondContact NE-OG 3.35Å; R158-S191 PolarHBondContact NH2-OG 3.14Å; R158-S191 PolarHBondContact O-N 3.42Å; R158-S191 PolarHBondContact O-OG 2.92Å |
| 159 | C | 85.9 | Confident | 83.3 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 28% | 0.284 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.8 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 110 | Y166 T189 L190 | C159-Y166 PolarHBondContact N-O 3.2Å; C159-Y166 PolarHBondContact O-N 3.08Å; C159-T189 WeakPolarHBondContact CA-O 3.27Å; C159-L190 WeakPolarHBondContact SG-CD1 3.31Å |
| 160 | R | 79.4 | Confident | 84.1 | Confident | 141 Ų | 141 | 70.7 Ų | 70.7 | 53% | 0.532 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.9 | 172.6 | -168.3 | 176.4 | -177.9 | -175.7 | -3.5 | 109.9 | Q164 V165 D188 T189 | R160-Q164 WeakPolarHBondContact CA-O 3.37Å; R160-V165 HydrophobicContact CG-CG2 4.47Å; R160-D188 WeakPolarHBondContact CB-O 3.38Å; R160-T189 PolarHBondContact N-O 3.08Å |
| 161 | R | 74.3 | Confident | 84.6 | Confident | 124 Ų | 124 | 70.6 Ų | 70.6 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 130.7 | 175.5 | 179.1 | -179.2 | -179.2 | -155 | -1.2 | 108.4 | E44 E163 Q164 Y166 | E44-R161 IonicContact OE2-CZ 3.95Å; E44-R161 IonicContact OE2-NH1 2.94Å; E44-R161 PolarHBondContact OE2-NH1 3.37Å; R161-E163 VanDerWaalsContact C-N 3.3Å; R161-E163 PolarHBondContact O-N 2.99Å; R161-Q164 PolarHBondContact N-O 3.36Å; R161-Q164 PolarHBondContact O-N 3.14Å; R161-Q164 VanDerWaalsContact O-O 3.07Å; R161-Y166 HydrophobicContact CB-CD2 4.13Å; R161-Y166 HydrophobicContact CB-CE2 3.85Å |
| 162 | D | 73.6 | Confident | 85.2 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 68% | 0.684 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 46 | 176.4 | -52.6 | -38.5 | 0 | 0 | 0 | 113.6 | Q164 | D162-Q164 PolarHBondContact O-N 2.89Š|
| 163 | E | 74.7 | Confident | 85.6 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 79% | 0.794 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -7.8 | -174.7 | -57.9 | -173.2 | 153.1 | 0 | 0 | 116.7 | R161 | R161-E163 VanDerWaalsContact C-N 3.3Å; R161-E163 PolarHBondContact O-N 2.99Å |
| 164 | Q | 75.8 | Confident | 86 | Confident | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 145.9 | 174.4 | -64.1 | -178.3 | 6 | 0 | 0 | 111.8 | R160 R161 D162 Y166 | R160-Q164 WeakPolarHBondContact CA-O 3.37Å; R161-Q164 PolarHBondContact N-O 3.36Å; R161-Q164 PolarHBondContact O-N 3.14Å; R161-Q164 VanDerWaalsContact O-O 3.07Å; D162-Q164 PolarHBondContact O-N 2.89Å; Q164-Y166 HydrophobicContact CB-CE2 3.86Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å |
| 165 | V | 83.1 | Confident | 86.1 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | R158 R160 | R158-V165 HydrophobicContact CG-CG1 3.43Å; R158-V165 VanDerWaalsContact CG-CG1 3.43Å; R160-V165 HydrophobicContact CG-CG2 4.47Å |
| 166 | Y | 81.4 | Confident | 86.2 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.2 | 176.9 | -61 | -88.5 | 0 | 0 | 0 | 109.9 | R158 C159 R161 Q164 | R158-Y166 CarbonylContact C-O 3.55Å; R158-Y166 VanDerWaalsContact CA-O 3.26Å; R158-Y166 WeakPolarHBondContact CA-O 3.47Å; C159-Y166 PolarHBondContact N-O 3.2Å; C159-Y166 PolarHBondContact O-N 3.08Å; R161-Y166 HydrophobicContact CB-CD2 4.13Å; R161-Y166 HydrophobicContact CB-CE2 3.85Å; Q164-Y166 HydrophobicContact CB-CE2 3.86Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å |
| 167 | V | 86 | Confident | 86.4 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.3 | 175 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | Y156 K157 R158 | Y156-V167 HydrophobicContact CD1-CG1 3.88Å; Y156-V167 HydrophobicContact CG-CG1 4.19Å; K157-V167 WeakPolarHBondContact O-CA 3.45Å; R158-V167 HydrophobicContact CB-CG2 4.25Å; R158-V167 HydrophobicContact CG-CG2 4.01Å |
| 168 | C | 87.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 35% | 0.345 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | Y156 K157 | Y156-C168 CarbonylContact C-O 3.57Å; Y156-C168 VanDerWaalsContact CA-O 3.22Å; Y156-C168 WeakPolarHBondContact CA-O 3.37Å; K157-C168 HydrophobicContact CD-CB 4.29Å; K157-C168 VanDerWaalsContact CE-CB 3.46Å; K157-C168 HydrophobicContact CG-CB 3.81Å; K157-C168 PolarHBondContact N-O 2.7Å; K157-C168 PolarHBondContact O-N 3.37Å |
| 169 | K | 90.3 | Very high | 86.6 | Confident | 106 Ų | 106 | 74.6 Ų | 74.6 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.9 | 169.8 | 179.4 | -179.2 | 173.4 | -179.6 | 0 | 109.1 | A154 Y156 | A154-K169 HydrophobicContact CB-CD 4.3Å; A154-K169 HydrophobicContact CB-CG 4.24Å; Y156-K169 HydrophobicContact CD1-CB 4.04Å; Y156-K169 HydrophobicContact CE1-CB 3.75Å; Y156-K169 HydrophobicContact CE1-CG 4.43Å |
| 170 | L | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -86 | 143.6 | 170.9 | -64 | 172.9 | 0 | 0 | 0 | 110.4 | V133 L155 K157 E174 L179 F192 | V133-L170 HydrophobicContact CG1-CB 4.3Å; V133-L170 HydrophobicContact CG2-CB 3.76Å; V133-L170 HydrophobicContact CG2-CD1 4.03Å; L155-L170 HydrophobicContact CB-CD1 4.36Å; L155-L170 HydrophobicContact CD2-CD1 3.88Å; L155-L170 HydrophobicContact CG-CD1 4.01Å; L155-L170 WeakPolarHBondContact O-CB 3.4Å; L155-L170 PolarHBondContact O-N 3.1Å; K157-L170 HydrophobicContact CB-CD1 4.41Å; K157-L170 HydrophobicContact CB-CD2 3.89Å; K157-L170 HydrophobicContact CB-CG 4.2Å; K157-L170 HydrophobicContact CD-CD2 3.64Å; K157-L170 HydrophobicContact CG-CD2 3.71Å; K157-L170 HydrophobicContact CG-CG 4.29Å; L170-E174 WeakPolarHBondContact CA-OE2 3.26Å; L170-E174 WeakPolarHBondContact CB-OE2 3.23Å; L170-E174 VanDerWaalsContact CD2-OE2 3.22Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.16Å; L170-L179 HydrophobicContact CD1-CD1 4.21Å; L170-L179 HydrophobicContact CD2-CD1 3.52Å; L170-F192 HydrophobicContact CD1-CD1 3.91Å; L170-F192 HydrophobicContact CD1-CE1 3.9Å |
| 171 | A | 89.6 | Confident | 87.8 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -76 | 148.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V133 V173 E174 | V133-A171 WeakPolarHBondContact CB-O 3.36Å; V133-A171 WeakPolarHBondContact CG2-O 3.45Å; A171-V173 HydrophobicContact CB-CG2 4.45Å; A171-V173 PolarHBondContact O-N 3.02Å; A171-E174 HydrophobicContact CB-CG 4.14Å; A171-E174 PolarHBondContact N-OE2 3.1Å; A171-E174 WeakPolarHBondContact O-CB 3.33Å; A171-E174 PolarHBondContact O-N 3.05Å |
| 172 | D | 90.1 | Very high | 88.6 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.7 | -175.1 | -81.7 | 10 | 0 | 0 | 0 | 114.5 | T132 V133 K134 | T132-D172 VanDerWaalsContact CB-O 3.26Å; T132-D172 WeakPolarHBondContact CB-O 3.3Å; T132-D172 PolarHBondContact OG1-O 3.08Å; V133-D172 PolarHBondContact N-O 3.01Å; K134-D172 HydrophobicContact CB-CB 4.07Å; K134-D172 PolarHBondContact N-O 3.34Å; K134-D172 VanDerWaalsContact N-O 3.14Å |
| 173 | V | 90.3 | Very high | 89.5 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 72% | 0.715 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -13.7 | -177.8 | -61 | 0 | 0 | 0 | 0 | 113.6 | A171 | A171-V173 HydrophobicContact CB-CG2 4.45Å; A171-V173 PolarHBondContact O-N 3.02Å |
| 174 | E | 92.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -65.7 | 158.4 | 178.3 | -73.5 | -176.4 | 110.8 | 0 | 0 | 111.1 | T132 V133 L170 A171 P176 | T132-E174 CarbonylContact C-O 3.46Å; T132-E174 VanDerWaalsContact CA-O 3.25Å; T132-E174 WeakPolarHBondContact CA-O 3.46Å; V133-E174 HydrophobicContact CG2-CB 3.99Å; V133-E174 WeakPolarHBondContact CG2-O 3.25Å; V133-E174 PolarHBondContact N-O 3.24Å; L170-E174 WeakPolarHBondContact CA-OE2 3.26Å; L170-E174 WeakPolarHBondContact CB-OE2 3.23Å; L170-E174 VanDerWaalsContact CD2-OE2 3.22Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.16Å; A171-E174 HydrophobicContact CB-CG 4.14Å; A171-E174 PolarHBondContact N-OE2 3.1Å; A171-E174 WeakPolarHBondContact O-CB 3.33Å; A171-E174 PolarHBondContact O-N 3.05Å; E174-P176 WeakPolarHBondContact O-CD 3.47Å |
| 175 | K | 94.7 | Very high | 91.1 | Very high | 94 Ų | 94 | 47 Ų | 47 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | trans | -111.2 | 101.7 | -174.9 | -71.1 | 165.2 | 167.5 | -173.3 | 0 | 110.1 | S129 L177 F178 L179 | S129-K175 WeakPolarHBondContact O-CD 3.04Å; S129-K175 WeakPolarHBondContact O-CE 3.15Å; K175-L177 VanDerWaalsContact C-N 3.3Å; K175-L177 PolarHBondContact O-N 3.23Å; K175-F178 HydrophobicContact CB-CB 3.87Å; K175-F178 WeakPolarHBondContact O-CB 3.45Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-F178 VanDerWaalsContact O-N 3.08Å; K175-L179 PolarHBondContact O-N 3.46Å; K175-L179 VanDerWaalsContact O-N 3.16Å | ||
| 176 | P | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -35.4 | -174.3 | -27.5 | 37.5 | 0 | 0 | 0 | 114 | I127 N131 V133 V136 L155 E174 F178 L179 R180 F192 | I127-P176 HydrophobicContact CD1-CB 4.44Å; N131-P176 WeakPolarHBondContact O-CD 3.49Å; V133-P176 HydrophobicContact CB-CG 4.49Å; V133-P176 HydrophobicContact CG2-CG 3.7Å; V136-P176 HydrophobicContact CG2-CG 4.1Å; L155-P176 HydrophobicContact CD2-CG 4.07Å; E174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 3.46Å; P176-L179 PolarHBondContact O-N 3.23Å; P176-R180 PolarHBondContact O-N 3.43Å; P176-F192 HydrophobicContact CB-CE1 4.39Å; P176-F192 HydrophobicContact CB-CE2 4.48Å; P176-F192 HydrophobicContact CB-CZ 4.14Å; P176-F192 WeakPolarHBondContact O-CZ 3.48Å |
| 177 | L | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 177.9 | -167.4 | 69.1 | 0 | 0 | 0 | 111.9 | M75 F83 V87 I127 S128 K175 R180 L181 | M75-L177 HydrophobicContact CE-CD1 3.79Å; M75-L177 HydrophobicContact CE-CG 4.32Å; M75-L177 HydrophobicContact SD-CD1 4.39Å; F83-L177 HydrophobicContact CD2-CD2 3.64Å; F83-L177 HydrophobicContact CD2-CG 4.18Å; F83-L177 HydrophobicContact CE2-CD2 3.67Å; F83-L177 HydrophobicContact CE2-CG 3.76Å; V87-L177 HydrophobicContact CG1-CD1 3.96Å; I127-L177 HydrophobicContact CD1-CB 3.83Å; I127-L177 HydrophobicContact CG1-CB 4.03Å; I127-L177 HydrophobicContact CG1-CD1 4.08Å; I127-L177 HydrophobicContact CG1-CD2 4.46Å; I127-L177 HydrophobicContact CG1-CG 4.41Å; I127-L177 WeakPolarHBondContact O-CD2 3.22Å; S128-L177 VanDerWaalsContact C-CD2 3.5Å; K175-L177 VanDerWaalsContact C-N 3.3Å; K175-L177 PolarHBondContact O-N 3.23Å; L177-R180 WeakPolarHBondContact O-CB 3.29Å; L177-R180 PolarHBondContact O-N 2.96Å; L177-L181 PolarHBondContact O-N 3.06Å |
| 178 | F | 94.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.8 | -178 | -96 | 0 | 0 | 0 | 111.3 | V49 R50 F53 F83 K175 P176 R180 L181 V182 | V49-F178 HydrophobicContact CG1-CE1 4.15Å; R50-F178 WeakPolarHBondContact O-CE1 3.38Å; R50-F178 WeakPolarHBondContact O-CZ 3.31Å; F53-F178 AromaticContact CD2-CE2 3.45Å; F53-F178 HydrophobicContact CD2-CE2 3.45Å; F53-F178 VanDerWaalsContact CD2-CE2 3.45Å; F53-F178 AromaticContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CD2-CZ 3.5Å; F53-F178 HydrophobicContact CE2-CE1 4.3Å; F53-F178 AromaticContact CE2-CE2 3.76Å; F53-F178 HydrophobicContact CE2-CE2 3.76Å; F53-F178 AromaticContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CE2-CZ 3.36Å; F53-F178 HydrophobicContact CG-CE2 4.46Å; F53-F178 HydrophobicContact CG-CZ 4.49Å; F53-F178 HydrophobicContact CZ-CZ 4.31Å; F83-F178 HydrophobicContact CZ-CD2 4.3Å; K175-F178 HydrophobicContact CB-CB 3.87Å; K175-F178 WeakPolarHBondContact O-CB 3.45Å; K175-F178 PolarHBondContact O-N 2.96Å; K175-F178 VanDerWaalsContact O-N 3.08Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 3.46Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.99Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.45Å; F178-L181 VanDerWaalsContact O-N 3.13Å; F178-V182 HydrophobicContact CD1-CG2 4.31Å; F178-V182 HydrophobicContact CE1-CG2 3.95Å; F178-V182 HydrophobicContact CZ-CG2 4.17Å; F178-V182 WeakPolarHBondContact O-CG2 3.3Å; F178-V182 PolarHBondContact O-N 3.02Å |
| 179 | L | 93.8 | Very high | 91.8 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 174.9 | -63.1 | 175.7 | 0 | 0 | 0 | 111.6 | L170 K175 P176 V182 A183 L190 F192 | L170-L179 HydrophobicContact CD1-CD1 4.21Å; L170-L179 HydrophobicContact CD2-CD1 3.52Å; K175-L179 PolarHBondContact O-N 3.46Å; K175-L179 VanDerWaalsContact O-N 3.16Å; P176-L179 PolarHBondContact O-N 3.23Å; L179-V182 PolarHBondContact O-N 2.94Å; L179-A183 WeakPolarHBondContact O-CB 3.32Å; L179-A183 PolarHBondContact O-N 3.24Å; L179-L190 HydrophobicContact CB-CD2 4.25Å; L179-F192 HydrophobicContact CB-CZ 4.23Å; L179-F192 HydrophobicContact CD1-CE1 4.45Å |
| 180 | R | 94.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.4 | 179.4 | 53.9 | 59.1 | -174.3 | 2.5 | 112.5 | Y65 M75 V87 P176 L177 F178 V182 A183 G184 D186 L190 F192 | Y65-R180 HydrophobicContact CE2-CG 3.93Å; M75-R180 HydrophobicContact CE-CB 4.1Å; M75-R180 HydrophobicContact CE-CG 3.65Å; V87-R180 HydrophobicContact CG1-CB 4.26Å; P176-R180 PolarHBondContact O-N 3.43Å; L177-R180 WeakPolarHBondContact O-CB 3.29Å; L177-R180 PolarHBondContact O-N 2.96Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 2.99Å; R180-V182 VanDerWaalsContact C-N 3.28Å; R180-V182 PolarHBondContact O-N 3.48Å; R180-A183 PolarHBondContact O-N 2.96Å; R180-G184 WeakPolarHBondContact CD-O 3.31Å; R180-G184 PolarHBondContact NH1-O 3.49Å; R180-G184 PolarHBondContact O-N 2.96Å; R180-D186 PolarHBondContact NH1-O 3.32Å; R180-L190 PolarHBondContact NH1-O 3.11Å; R180-L190 PolarHBondContact NH2-O 3.11Å; R180-F192 HydrophobicContact CB-CE2 4.3Å |
| 181 | L | 94.6 | Very high | 92 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 177.2 | 178.8 | 63.8 | 0 | 0 | 0 | 111.4 | I58 K61 I62 M75 F83 L177 F178 | I58-L181 HydrophobicContact CG2-CD2 4.35Å; K61-L181 HydrophobicContact CB-CD1 3.82Å; K61-L181 HydrophobicContact CB-CD2 4.19Å; K61-L181 HydrophobicContact CB-CG 3.95Å; K61-L181 HydrophobicContact CD-CG 4.43Å; I62-L181 HydrophobicContact CB-CD1 4.49Å; I62-L181 HydrophobicContact CG1-CD1 3.74Å; I62-L181 HydrophobicContact CG1-CD2 4.25Å; M75-L181 HydrophobicContact CE-CB 4.11Å; M75-L181 HydrophobicContact SD-CB 3.97Å; M75-L181 HydrophobicContact SD-CD1 3.71Å; M75-L181 HydrophobicContact SD-CG 4.36Å; F83-L181 HydrophobicContact CD2-CD2 4.47Å; F83-L181 HydrophobicContact CE1-CD2 4.15Å; F83-L181 HydrophobicContact CE2-CB 4.2Å; F83-L181 HydrophobicContact CE2-CD2 3.78Å; F83-L181 HydrophobicContact CZ-CB 4.43Å; F83-L181 HydrophobicContact CZ-CD2 3.6Å; L177-L181 PolarHBondContact O-N 3.06Å; F178-L181 WeakPolarHBondContact O-CB 3.37Å; F178-L181 PolarHBondContact O-N 3.45Å; F178-L181 VanDerWaalsContact O-N 3.13Å |
| 182 | V | 92.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 30% | 0.297 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 179.2 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | V49 F53 F178 L179 R180 | V49-V182 HydrophobicContact CG1-CB 4.42Å; V49-V182 HydrophobicContact CG1-CG1 3.96Å; V49-V182 HydrophobicContact CG1-CG2 4.1Å; F53-V182 HydrophobicContact CE2-CG2 3.66Å; F53-V182 HydrophobicContact CZ-CG2 4.25Å; F178-V182 HydrophobicContact CD1-CG2 4.31Å; F178-V182 HydrophobicContact CE1-CG2 3.95Å; F178-V182 HydrophobicContact CZ-CG2 4.17Å; F178-V182 WeakPolarHBondContact O-CG2 3.3Å; F178-V182 PolarHBondContact O-N 3.02Å; L179-V182 PolarHBondContact O-N 2.94Å; R180-V182 VanDerWaalsContact C-N 3.28Å; R180-V182 PolarHBondContact O-N 3.48Å |
| 183 | A | 91.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -78.4 | -26 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L179 R180 T189 L190 | L179-A183 WeakPolarHBondContact O-CB 3.32Å; L179-A183 PolarHBondContact O-N 3.24Å; R180-A183 PolarHBondContact O-N 2.96Å; A183-T189 HydrophobicContact CB-CG2 4.34Å; A183-L190 HydrophobicContact CB-CB 3.57Å; A183-L190 HydrophobicContact CB-CD2 3.57Å; A183-L190 HydrophobicContact CB-CG 4.19Å |
| 184 | G | 92.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | trans | 96 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | R180 D186 | R180-G184 WeakPolarHBondContact CD-O 3.31Å; R180-G184 PolarHBondContact NH1-O 3.49Å; R180-G184 PolarHBondContact O-N 2.96Å; G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.07Å | ||
| 185 | P | 92.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 22% | 0.221 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.2 | -14.1 | -172.8 | 28.8 | -34.2 | 0 | 0 | 0 | 113.9 | Y65 L68 | Y65-P185 HydrophobicContact CD2-CB 4.31Å; Y65-P185 HydrophobicContact CD2-CG 4.49Å; Y65-P185 HydrophobicContact CE1-CB 4.16Å; Y65-P185 VanDerWaalsContact CE2-CA 3.44Å; Y65-P185 HydrophobicContact CE2-CB 3.77Å; Y65-P185 HydrophobicContact CE2-CG 4.4Å; Y65-P185 VanDerWaalsContact CE2-N 3.27Å; L68-P185 HydrophobicContact CB-CG 3.69Å |
| 186 | D | 90.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 30.8 Ų | 30.8 | 39% | 0.39 | 17% | 0.17 | S | C | . | . | trans | -69.1 | 132.5 | -178.4 | 177.5 | 37.3 | 0 | 0 | 0 | 112.5 | R180 G184 D188 T189 L190 | R180-D186 PolarHBondContact NH1-O 3.32Å; G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.07Å; D186-D188 PolarHBondContact OD1-N 3.14Å; D186-D188 VanDerWaalsContact OD1-N 3.17Å; D186-T189 WeakPolarHBondContact OD2-CB 3.37Å; D186-T189 PolarHBondContact OD2-N 3.4Å; D186-T189 PolarHBondContact OD2-OG1 3.36Å; D186-L190 PolarHBondContact O-N 2.85Å | ||
| 187 | L | 87.5 | Confident | 90.7 | Very high | 66 Ų | 66 | 32 Ų | 32 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -21.1 | -178.9 | -64.4 | 177.8 | 0 | 0 | 0 | 112.6 | K88 L190 S191 | K88-L187 HydrophobicContact CB-CD2 4.28Å; K88-L187 HydrophobicContact CD-CD1 3.98Å; K88-L187 HydrophobicContact CD-CD2 4.18Å; L187-L190 CarbonylContact C-O 3.46Å; L187-L190 WeakPolarHBondContact CA-O 3.49Å; L187-L190 CarbonylContact O-C 3.38Å; L187-S191 WeakPolarHBondContact O-CB 3.14Å |
| 188 | D | 86.5 | Confident | 89.1 | Confident | 105 Ų | 105 | 38.9 Ų | 38.9 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -36.3 | 175.4 | -70.1 | -17.6 | 0 | 0 | 0 | 110.8 | R160 D186 | R160-D188 WeakPolarHBondContact CB-O 3.38Å; D186-D188 PolarHBondContact OD1-N 3.14Å; D186-D188 VanDerWaalsContact OD1-N 3.17Å |
| 189 | T | 88.6 | Confident | 87 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -48.9 | 174 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | C159 R160 A183 D186 | C159-T189 WeakPolarHBondContact CA-O 3.27Å; R160-T189 PolarHBondContact N-O 3.08Å; A183-T189 HydrophobicContact CB-CG2 4.34Å; D186-T189 WeakPolarHBondContact OD2-CB 3.37Å; D186-T189 PolarHBondContact OD2-N 3.4Å; D186-T189 PolarHBondContact OD2-OG1 3.36Å |
| 190 | L | 91.6 | Very high | 85 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.5 | 176.9 | 175.6 | 68.1 | 0 | 0 | 0 | 109.7 | K157 R158 C159 L179 R180 A183 D186 L187 F192 | K157-L190 HydrophobicContact CB-CD1 3.78Å; R158-L190 CarbonylContact O-C 3.54Å; R158-L190 WeakPolarHBondContact O-CA 3.43Å; C159-L190 WeakPolarHBondContact SG-CD1 3.31Å; L179-L190 HydrophobicContact CB-CD2 4.25Å; R180-L190 PolarHBondContact NH1-O 3.11Å; R180-L190 PolarHBondContact NH2-O 3.11Å; A183-L190 HydrophobicContact CB-CB 3.57Å; A183-L190 HydrophobicContact CB-CD2 3.57Å; A183-L190 HydrophobicContact CB-CG 4.19Å; D186-L190 PolarHBondContact O-N 2.85Å; L187-L190 CarbonylContact C-O 3.46Å; L187-L190 WeakPolarHBondContact CA-O 3.49Å; L187-L190 CarbonylContact O-C 3.38Å; L190-F192 HydrophobicContact CD1-CE1 4.37Å; L190-F192 HydrophobicContact CD2-CE1 4.18Å; L190-F192 HydrophobicContact CD2-CE2 4.33Å; L190-F192 HydrophobicContact CD2-CZ 3.72Å; L190-F192 HydrophobicContact CG-CE1 4.44Å; L190-F192 HydrophobicContact CG-CZ 4.27Å |
| 191 | S | 93.4 | Very high | 82.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.5 | 170.9 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | R158 L187 | R158-S191 WeakPolarHBondContact CB-OG 3.3Å; R158-S191 PolarHBondContact N-O 3.09Å; R158-S191 PolarHBondContact NE-OG 3.35Å; R158-S191 PolarHBondContact NH2-OG 3.14Å; R158-S191 PolarHBondContact O-N 3.42Å; R158-S191 PolarHBondContact O-OG 2.92Å; L187-S191 WeakPolarHBondContact O-CB 3.14Å |
| 192 | F | 95.3 | Very high | 81.1 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.7 | 177.5 | -61.1 | -66.2 | 0 | 0 | 0 | 109.8 | V87 V89 M90 L155 Y156 L170 P176 L179 R180 L190 | V87-F192 HydrophobicContact CB-CD2 4.34Å; V87-F192 HydrophobicContact CB-CE2 4.3Å; V87-F192 HydrophobicContact CG1-CE2 4.14Å; V89-F192 WeakPolarHBondContact CA-O 3.35Å; V89-F192 HydrophobicContact CB-CB 4.44Å; V89-F192 HydrophobicContact CG1-CB 4.38Å; V89-F192 HydrophobicContact CG2-CB 3.99Å; M90-F192 PolarHBondContact N-O 3.38Å; L155-F192 HydrophobicContact CD1-CB 4.25Å; L155-F192 HydrophobicContact CD2-CD1 4.47Å; Y156-F192 WeakPolarHBondContact O-CA 3.47Å; L170-F192 HydrophobicContact CD1-CD1 3.91Å; L170-F192 HydrophobicContact CD1-CE1 3.9Å; P176-F192 HydrophobicContact CB-CE1 4.39Å; P176-F192 HydrophobicContact CB-CE2 4.48Å; P176-F192 HydrophobicContact CB-CZ 4.14Å; P176-F192 WeakPolarHBondContact O-CZ 3.48Å; L179-F192 HydrophobicContact CB-CZ 4.23Å; L179-F192 HydrophobicContact CD1-CE1 4.45Å; R180-F192 HydrophobicContact CB-CE2 4.3Å; L190-F192 HydrophobicContact CD1-CE1 4.37Å; L190-F192 HydrophobicContact CD2-CE1 4.18Å; L190-F192 HydrophobicContact CD2-CE2 4.33Å; L190-F192 HydrophobicContact CD2-CZ 3.72Å; L190-F192 HydrophobicContact CG-CE1 4.44Å; L190-F192 HydrophobicContact CG-CZ 4.27Å |
| 193 | V | 92.4 | Very high | 80 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.1 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | M90 D92 Y156 R195 | M90-V193 HydrophobicContact CB-CG1 4.38Å; M90-V193 HydrophobicContact CB-CG2 4.37Å; M90-V193 CarbonylContact O-C 3.49Å; M90-V193 WeakPolarHBondContact O-CA 3.47Å; D92-V193 HydrophobicContact CB-CG1 3.77Å; Y156-V193 PolarHBondContact N-O 3.11Å; Y156-V193 PolarHBondContact O-N 3.21Å; V193-R195 HydrophobicContact CG1-CG 3.92Å |
| 194 | L | 91.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121 | 171.3 | -172.3 | 75.3 | 0 | 0 | 0 | 108.6 | V89 M90 M91 D92 L93 I137 L140 L141 L155 | V89-L194 HydrophobicContact CG1-CB 3.95Å; M90-L194 PolarHBondContact O-N 3.13Å; M91-L194 HydrophobicContact CE-CD2 3.5Å; M91-L194 HydrophobicContact SD-CB 4.14Å; M91-L194 HydrophobicContact SD-CD2 3.7Å; D92-L194 CarbonylContact C-O 3.57Å; D92-L194 PolarHBondContact N-O 2.92Å; L93-L194 HydrophobicContact CD2-CD2 4.27Å; L93-L194 HydrophobicContact CD2-CG 4.35Å; I137-L194 HydrophobicContact CB-CD1 4.39Å; I137-L194 HydrophobicContact CG1-CD1 3.76Å; I137-L194 HydrophobicContact CG2-CD1 4.21Å; L140-L194 HydrophobicContact CB-CD2 4.25Å; L140-L194 HydrophobicContact CD1-CD2 4.26Å; L141-L194 HydrophobicContact CD2-CD2 4.19Å; L155-L194 HydrophobicContact CD1-CB 4.28Å; L155-L194 HydrophobicContact CD1-CD1 4.25Å |
| 195 | R | 88.1 | Confident | 78.1 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 36% | 0.362 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.6 | 178.5 | -70.9 | -178.8 | 166.4 | 170.3 | 2 | 111 | D92 Y153 A154 Y156 V193 Q197 | D92-R195 HydrophobicContact CB-CG 4.02Å; D92-R195 IonicContact OD2-CZ 3.51Å; D92-R195 IonicContact OD2-NE 2.88Å; D92-R195 PolarHBondContact OD2-NE 3.37Å; D92-R195 IonicContact OD2-NH2 3.33Å; D92-R195 PolarHBondContact OD2-NH2 3.37Å; Y153-R195 WeakPolarHBondContact CA-O 3.45Å; A154-R195 PolarHBondContact N-O 3.39Å; A154-R195 PolarHBondContact O-N 2.79Å; Y156-R195 HydrophobicContact CD2-CB 3.94Å; Y156-R195 HydrophobicContact CD2-CG 4.26Å; Y156-R195 HydrophobicContact CE2-CB 3.74Å; Y156-R195 HydrophobicContact CE2-CG 4.46Å; V193-R195 HydrophobicContact CG1-CG 3.92Å; R195-Q197 PolarHBondContact O-N 3.14Å |
| 196 | E | 83.3 | Confident | 77.1 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.7 | 165.3 | -166.2 | -175.7 | 168 | 0 | 0 | 108.8 | R95 K152 Y153 Q198 | R95-E196 WeakPolarHBondContact CD-OE1 3.47Å; R95-E196 WeakPolarHBondContact CD-OE2 3.48Å; R95-E196 VanDerWaalsContact CG-OE2 3.31Å; R95-E196 WeakPolarHBondContact CG-OE2 3.29Å; R95-E196 IonicContact CZ-OE1 2.79Å; R95-E196 IonicContact NE-OE1 3.4Å; R95-E196 PolarHBondContact NE-OE1 2.88Å; R95-E196 IonicContact NE-OE2 2.7Å; K152-E196 CarbonylContact O-C 3.54Å; K152-E196 WeakPolarHBondContact O-CA 3.34Å; Y153-E196 HydrophobicContact CD1-CB 4.36Å; Y153-E196 HydrophobicContact CE1-CB 4.29Å; Y153-E196 HydrophobicContact CE1-CG 4.39Å; E196-Q198 PolarHBondContact O-N 3.31Å |
| 197 | Q | 75.6 | Confident | 76.3 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | trans | -82.8 | 105.8 | 176.4 | -166 | 178.4 | -81.9 | 0 | 0 | 108.1 | K152 A154 R195 T199 | K152-Q197 PolarHBondContact O-N 3.03Å; A154-Q197 HydrophobicContact CB-CB 4.18Å; A154-Q197 VanDerWaalsContact CB-OE1 3.32Å; R195-Q197 PolarHBondContact O-N 3.14Å; Q197-T199 HydrophobicContact CG-CG2 3.95Å; Q197-T199 WeakPolarHBondContact CG-OG1 3.36Å; Q197-T199 PolarHBondContact NE2-OG1 3.01Å; Q197-T199 PolarHBondContact O-N 3.19Å | ||
| 198 | Q | 60.9 | Low | 75.9 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | trans | -76.2 | 55.6 | 163.8 | -70.2 | -174.6 | -6.2 | 0 | 0 | 109.5 | E196 G200 | E196-Q198 PolarHBondContact O-N 3.31Å; Q198-G200 PolarHBondContact O-N 3.37Å | ||
| 199 | T | 51.7 | Low | 75.8 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | trans | -70.4 | 118.6 | 165.2 | 19 | 0 | 0 | 0 | 0 | 106.5 | Q197 E201 | Q197-T199 HydrophobicContact CG-CG2 3.95Å; Q197-T199 WeakPolarHBondContact CG-OG1 3.36Å; Q197-T199 PolarHBondContact NE2-OG1 3.01Å; Q197-T199 PolarHBondContact O-N 3.19Å; T199-E201 HydrophobicContact CG2-CB 3.94Å; T199-E201 PolarHBondContact O-N 3.14Å | ||
| 200 | G | 51.9 | Low | 75.7 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 88% | 0.876 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -60.4 | -0.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q198 V202 | Q198-G200 PolarHBondContact O-N 3.37Å; G200-V202 PolarHBondContact O-N 2.9Å |
| 201 | E | 46.2 | Very low | 75.2 | Confident | 146 Ų | 146 | 72.7 Ų | 72.7 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -83.2 | 105.1 | 169.5 | -154.7 | 169.8 | -154.7 | 0 | 0 | 109.7 | T199 M203 | T199-E201 HydrophobicContact CG2-CB 3.94Å; T199-E201 PolarHBondContact O-N 3.14Å; E201-M203 PolarHBondContact O-N 3.27Å |
| 202 | V | 61.6 | Low | 74.9 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | trans | -70.2 | 125 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | G200 W204 F207 | G200-V202 PolarHBondContact O-N 2.9Å; V202-W204 VanDerWaalsContact C-N 3.26Å; V202-W204 HydrophobicContact CB-CD2 4.08Å; V202-W204 HydrophobicContact CB-CE3 4.44Å; V202-W204 HydrophobicContact CB-CH2 4.2Å; V202-W204 HydrophobicContact CB-CZ2 3.77Å; V202-W204 HydrophobicContact CG1-CD2 3.77Å; V202-W204 HydrophobicContact CG1-CE3 3.73Å; V202-W204 HydrophobicContact CG1-CG 4.43Å; V202-W204 HydrophobicContact CG1-CH2 4.03Å; V202-W204 HydrophobicContact CG1-CZ2 4.04Å; V202-W204 HydrophobicContact CG1-CZ3 3.87Å; V202-W204 HydrophobicContact CG2-CH2 4.44Å; V202-W204 HydrophobicContact CG2-CZ2 4.19Å; V202-W204 PolarHBondContact O-N 3.05Å; V202-W204 PolarHBondContact O-NE1 3.33Å; V202-F207 HydrophobicContact CG1-CD2 4.4Å; V202-F207 HydrophobicContact CG1-CE2 3.52Å; V202-F207 HydrophobicContact CG1-CZ 4.18Å | ||
| 203 | M | 67.8 | Low | 74.5 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 45% | 0.453 | 43% | 0.434 | S | S | . | . | trans | -74.1 | 81.1 | 174.5 | -68.4 | -72.3 | -65.3 | 0 | 0 | 109.5 | A151 E201 D205 A206 F207 | A151-M203 HydrophobicContact CB-CB 4.44Å; A151-M203 HydrophobicContact CB-CE 4.39Å; A151-M203 HydrophobicContact CB-CG 4.04Å; E201-M203 PolarHBondContact O-N 3.27Å; M203-D205 PolarHBondContact O-N 3.05Å; M203-A206 HydrophobicContact CB-CB 4.44Å; M203-A206 WeakPolarHBondContact O-CB 3.38Å; M203-A206 PolarHBondContact O-N 3.31Å; M203-F207 WeakPolarHBondContact O-CD2 3.21Å | ||
| 204 | W | 76.1 | Confident | 74.4 | Confident | 123 Ų | 123 | 86 Ų | 86 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -57.4 | -32.4 | -173.9 | -61.7 | 109 | 0 | 0 | 0 | 113.2 | V202 A206 F207 L212 F215 | V202-W204 VanDerWaalsContact C-N 3.26Å; V202-W204 HydrophobicContact CB-CD2 4.08Å; V202-W204 HydrophobicContact CB-CE3 4.44Å; V202-W204 HydrophobicContact CB-CH2 4.2Å; V202-W204 HydrophobicContact CB-CZ2 3.77Å; V202-W204 HydrophobicContact CG1-CD2 3.77Å; V202-W204 HydrophobicContact CG1-CE3 3.73Å; V202-W204 HydrophobicContact CG1-CG 4.43Å; V202-W204 HydrophobicContact CG1-CH2 4.03Å; V202-W204 HydrophobicContact CG1-CZ2 4.04Å; V202-W204 HydrophobicContact CG1-CZ3 3.87Å; V202-W204 HydrophobicContact CG2-CH2 4.44Å; V202-W204 HydrophobicContact CG2-CZ2 4.19Å; V202-W204 PolarHBondContact O-N 3.05Å; V202-W204 PolarHBondContact O-NE1 3.33Å; W204-A206 PolarHBondContact O-N 3.22Å; W204-A206 VanDerWaalsContact O-N 3.14Å; W204-F207 PolarHBondContact O-N 3.49Å; W204-F207 VanDerWaalsContact O-N 3.14Å; W204-L212 HydrophobicContact CB-CD2 4.21Å; W204-L212 HydrophobicContact CD2-CD2 4.45Å; W204-L212 HydrophobicContact CE3-CD2 3.61Å; W204-L212 HydrophobicContact CZ3-CD2 4.4Å; W204-F215 HydrophobicContact CE3-CD2 4.39Å; W204-F215 HydrophobicContact CZ3-CB 4.22Å; W204-F215 AromaticContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CE2 4.49Å; W204-F215 HydrophobicContact CZ3-CG 4.16Å |
| 205 | D | 68.9 | Low | 74.4 | Confident | 159 Ų | 159 | 89.3 Ų | 89.3 | 85% | 0.85 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -66.6 | -13.5 | 178.5 | -57.8 | -29.9 | 0 | 0 | 0 | 114.1 | M203 F207 | M203-D205 PolarHBondContact O-N 3.05Å; D205-F207 VanDerWaalsContact C-N 3.35Å |
| 206 | A | 70.6 | Confident | 74.5 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -84.1 | -10 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M203 W204 | M203-A206 HydrophobicContact CB-CB 4.44Å; M203-A206 WeakPolarHBondContact O-CB 3.38Å; M203-A206 PolarHBondContact O-N 3.31Å; W204-A206 PolarHBondContact O-N 3.22Å; W204-A206 VanDerWaalsContact O-N 3.14Å |
| 207 | F | 74.3 | Confident | 74.9 | Confident | 72 Ų | 72 | 95.7 Ų | 95.7 | 32% | 0.316 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -99 | 145.1 | 179.8 | -61.9 | -85.7 | 0 | 0 | 0 | 110.8 | V202 M203 W204 D205 E211 L212 F215 | V202-F207 HydrophobicContact CG1-CD2 4.4Å; V202-F207 HydrophobicContact CG1-CE2 3.52Å; V202-F207 HydrophobicContact CG1-CZ 4.18Å; M203-F207 WeakPolarHBondContact O-CD2 3.21Å; W204-F207 PolarHBondContact O-N 3.49Å; W204-F207 VanDerWaalsContact O-N 3.14Å; D205-F207 VanDerWaalsContact C-N 3.35Å; F207-E211 HydrophobicContact CB-CB 4.11Å; F207-E211 HydrophobicContact CD1-CB 4.39Å; F207-L212 HydrophobicContact CB-CD2 3.86Å; F207-L212 HydrophobicContact CB-CG 3.96Å; F207-F215 HydrophobicContact CB-CE2 4.25Å; F207-F215 AromaticContact CD1-CE2 3.52Å; F207-F215 HydrophobicContact CD1-CE2 3.52Å; F207-F215 AromaticContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD2-CE2 4.24Å; F207-F215 AromaticContact CE1-CE2 3.81Å; F207-F215 HydrophobicContact CE1-CE2 3.81Å; F207-F215 AromaticContact CE1-CZ 3.71Å; F207-F215 HydrophobicContact CE1-CZ 3.71Å; F207-F215 AromaticContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CZ 4.46Å; F207-F215 HydrophobicContact CZ-CE2 4.29Å; F207-F215 HydrophobicContact CZ-CZ 4.31Å |
| 208 | S | 78.5 | Confident | 75.6 | Confident | 53 Ų | 53 | 97.6 Ų | 97.6 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | trans | -68 | 155 | 172.9 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | P210 E211 L212 | S208-P210 VanDerWaalsContact C-CD 3.44Å; S208-P210 VanDerWaalsContact C-N 3.29Å; S208-E211 WeakPolarHBondContact CB-OE2 3.46Å; S208-E211 PolarHBondContact N-OE2 3Å; S208-E211 WeakPolarHBondContact O-CB 3.36Å; S208-E211 PolarHBondContact O-N 3.17Å; S208-E211 VanDerWaalsContact OG-CG 3.3Å; S208-E211 WeakPolarHBondContact OG-CG 3.34Å; S208-E211 PolarHBondContact OG-OE2 3.43Å; S208-L212 PolarHBondContact O-N 3.38Å | ||
| 209 | I | 85.3 | Confident | 77 | Confident | 119 Ų | 119 | 94.8 Ų | 94.8 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -52.4 | -41.4 | 177.9 | -61.1 | 172.3 | 0 | 0 | 0 | 112.4 | E211 L212 R213 | I209-E211 PolarHBondContact O-N 3.44Å; I209-L212 PolarHBondContact O-N 3.03Å; I209-R213 WeakPolarHBondContact O-CG 3.39Å; I209-R213 PolarHBondContact O-N 3.31Å |
| 210 | P | 86.4 | Confident | 79 | Confident | 91 Ų | 91 | 97 Ų | 97 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -38.3 | 174.3 | -24.8 | 35.9 | 0 | 0 | 0 | 114.3 | S208 R213 N214 | S208-P210 VanDerWaalsContact C-CD 3.44Å; S208-P210 VanDerWaalsContact C-N 3.29Å; P210-R213 PolarHBondContact O-N 3.45Å; P210-N214 PolarHBondContact O-N 3.34Å; P210-N214 VanDerWaalsContact O-N 3.1Å |
| 211 | E | 80.7 | Confident | 81 | Confident | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -44 | 177.8 | -70.4 | 164.5 | 140.8 | 0 | 0 | 110.9 | F207 S208 I209 R213 N214 F215 | F207-E211 HydrophobicContact CB-CB 4.11Å; F207-E211 HydrophobicContact CD1-CB 4.39Å; S208-E211 WeakPolarHBondContact CB-OE2 3.46Å; S208-E211 PolarHBondContact N-OE2 3Å; S208-E211 WeakPolarHBondContact O-CB 3.36Å; S208-E211 PolarHBondContact O-N 3.17Å; S208-E211 VanDerWaalsContact OG-CG 3.3Å; S208-E211 WeakPolarHBondContact OG-CG 3.34Å; S208-E211 PolarHBondContact OG-OE2 3.43Å; I209-E211 PolarHBondContact O-N 3.44Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 3.3Å; E211-N214 WeakPolarHBondContact O-CB 3.33Å; E211-N214 PolarHBondContact O-N 2.97Å; E211-F215 HydrophobicContact CB-CE2 4.19Å; E211-F215 WeakPolarHBondContact O-CD2 3.3Å; E211-F215 WeakPolarHBondContact O-CG 3.31Å; E211-F215 PolarHBondContact O-N 3.31Å |
| 212 | L | 87.4 | Confident | 83.3 | Confident | 52 Ų | 52 | 96.9 Ų | 96.9 | 27% | 0.272 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 174.2 | -67.8 | 176.1 | 0 | 0 | 0 | 112.4 | W204 F207 S208 I209 N214 F215 L216 | W204-L212 HydrophobicContact CB-CD2 4.21Å; W204-L212 HydrophobicContact CD2-CD2 4.45Å; W204-L212 HydrophobicContact CE3-CD2 3.61Å; W204-L212 HydrophobicContact CZ3-CD2 4.4Å; F207-L212 HydrophobicContact CB-CD2 3.86Å; F207-L212 HydrophobicContact CB-CG 3.96Å; S208-L212 PolarHBondContact O-N 3.38Å; I209-L212 PolarHBondContact O-N 3.03Å; L212-N214 VanDerWaalsContact C-N 3.29Å; L212-N214 PolarHBondContact O-N 3.49Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 PolarHBondContact O-N 3.08Å; L212-L216 PolarHBondContact O-N 3.38Å |
| 213 | R | 85.3 | Confident | 84.8 | Confident | 176 Ų | 176 | 100.5 Ų | 100.5 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -34.9 | 174.6 | -73.9 | 176.9 | 179.8 | 176.5 | 0.5 | 112.7 | I209 P210 E211 R217 | I209-R213 WeakPolarHBondContact O-CG 3.39Å; I209-R213 PolarHBondContact O-N 3.31Å; P210-R213 PolarHBondContact O-N 3.45Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 3.3Å; R213-R217 PolarHBondContact O-N 3.05Å; R213-R217 VanDerWaalsContact O-N 3.11Å |
| 214 | N | 91.4 | Very high | 86.1 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 176.2 | -162.1 | -9.6 | 0 | 0 | 0 | 111.1 | P210 E211 L212 L216 R217 I218 | P210-N214 PolarHBondContact O-N 3.34Å; P210-N214 VanDerWaalsContact O-N 3.1Å; E211-N214 WeakPolarHBondContact O-CB 3.33Å; E211-N214 PolarHBondContact O-N 2.97Å; L212-N214 VanDerWaalsContact C-N 3.29Å; L212-N214 PolarHBondContact O-N 3.49Å; N214-L216 PolarHBondContact O-N 3.49Å; N214-R217 PolarHBondContact O-N 2.98Å; N214-R217 PolarHBondContact OD1-NH2 3.28Å; N214-I218 WeakPolarHBondContact O-CG1 3.32Å; N214-I218 PolarHBondContact O-N 3.49Å |
| 215 | F | 89.9 | Confident | 87 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 31% | 0.307 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.8 | -61.3 | -48.7 | 0 | 0 | 0 | 111.9 | W204 F207 E211 L212 R217 I218 L219 | W204-F215 HydrophobicContact CE3-CD2 4.39Å; W204-F215 HydrophobicContact CZ3-CB 4.22Å; W204-F215 AromaticContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CD2 3.8Å; W204-F215 HydrophobicContact CZ3-CE2 4.49Å; W204-F215 HydrophobicContact CZ3-CG 4.16Å; F207-F215 HydrophobicContact CB-CE2 4.25Å; F207-F215 AromaticContact CD1-CE2 3.52Å; F207-F215 HydrophobicContact CD1-CE2 3.52Å; F207-F215 AromaticContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD1-CZ 3.81Å; F207-F215 HydrophobicContact CD2-CE2 4.24Å; F207-F215 AromaticContact CE1-CE2 3.81Å; F207-F215 HydrophobicContact CE1-CE2 3.81Å; F207-F215 AromaticContact CE1-CZ 3.71Å; F207-F215 HydrophobicContact CE1-CZ 3.71Å; F207-F215 AromaticContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CE2 3.74Å; F207-F215 HydrophobicContact CG-CZ 4.46Å; F207-F215 HydrophobicContact CZ-CE2 4.29Å; F207-F215 HydrophobicContact CZ-CZ 4.31Å; E211-F215 HydrophobicContact CB-CE2 4.19Å; E211-F215 WeakPolarHBondContact O-CD2 3.3Å; E211-F215 WeakPolarHBondContact O-CG 3.31Å; E211-F215 PolarHBondContact O-N 3.31Å; L212-F215 HydrophobicContact CD2-CD2 4.27Å; L212-F215 PolarHBondContact O-N 3.08Å; F215-R217 VanDerWaalsContact C-N 3.33Å; F215-R217 PolarHBondContact O-N 2.86Å; F215-I218 PolarHBondContact O-N 2.87Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.44Å |
| 216 | L | 90.1 | Very high | 88.2 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.2 | -46.8 | 175 | -70.5 | 174.8 | 0 | 0 | 0 | 111.9 | L212 N214 I218 L219 D220 | L212-L216 PolarHBondContact O-N 3.38Å; N214-L216 PolarHBondContact O-N 3.49Å; L216-I218 VanDerWaalsContact C-N 3.3Å; L216-I218 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 2.95Å; L216-D220 VanDerWaalsContact O-CG 3.27Å; L216-D220 PolarHBondContact O-N 3.27Å |
| 217 | R | 92.3 | Very high | 89.4 | Confident | 155 Ų | 155 | 100.1 Ų | 100.1 | 59% | 0.585 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.7 | -36.8 | 178.9 | -172.9 | -172.1 | 66 | 94.7 | 6.4 | 113 | R213 N214 F215 K221 | R213-R217 PolarHBondContact O-N 3.05Å; R213-R217 VanDerWaalsContact O-N 3.11Å; N214-R217 PolarHBondContact O-N 2.98Å; N214-R217 PolarHBondContact OD1-NH2 3.28Å; F215-R217 VanDerWaalsContact C-N 3.33Å; F215-R217 PolarHBondContact O-N 2.86Å; R217-K221 PolarHBondContact O-N 3.34Å |
| 218 | I | 89.9 | Confident | 90.5 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 176.4 | -68 | 164.7 | 0 | 0 | 0 | 109.7 | N214 F215 L216 D220 K221 E222 | N214-I218 WeakPolarHBondContact O-CG1 3.32Å; N214-I218 PolarHBondContact O-N 3.49Å; F215-I218 PolarHBondContact O-N 2.87Å; L216-I218 VanDerWaalsContact C-N 3.3Å; L216-I218 PolarHBondContact O-N 3.34Å; I218-D220 PolarHBondContact O-N 3.05Å; I218-K221 WeakPolarHBondContact O-CB 3.49Å; I218-K221 PolarHBondContact O-N 3.1Å; I218-K221 VanDerWaalsContact O-N 3.17Å; I218-E222 HydrophobicContact CG2-CG 4.41Å; I218-E222 WeakPolarHBondContact O-CG 3.38Å; I218-E222 PolarHBondContact O-N 2.95Å |
| 219 | L | 91.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 99.3 Ų | 99.3 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.8 | -69.4 | 171.1 | 0 | 0 | 0 | 112.1 | F215 L216 K221 E222 E223 | F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.95Å; L219-K221 PolarHBondContact O-N 3.35Å; L219-E222 PolarHBondContact O-N 3.47Å; L219-E223 WeakPolarHBondContact O-CB 3.49Å; L219-E223 PolarHBondContact O-N 2.96Å |
| 220 | D | 93.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 175.9 | -69.9 | -23.8 | 0 | 0 | 0 | 111.3 | L216 I218 Q224 | L216-D220 VanDerWaalsContact O-CG 3.27Å; L216-D220 PolarHBondContact O-N 3.27Å; I218-D220 PolarHBondContact O-N 3.05Å; D220-Q224 WeakPolarHBondContact O-CB 3.44Å; D220-Q224 PolarHBondContact O-N 2.96Å |
| 221 | K | 94.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 98 Ų | 98 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.6 | -47 | 177.9 | -168.4 | -175.5 | -176.5 | -103.5 | 0 | 111.2 | R217 I218 L219 E223 Q224 E225 | R217-K221 PolarHBondContact O-N 3.34Å; I218-K221 WeakPolarHBondContact O-CB 3.49Å; I218-K221 PolarHBondContact O-N 3.1Å; I218-K221 VanDerWaalsContact O-N 3.17Å; L219-K221 PolarHBondContact O-N 3.35Å; K221-E223 VanDerWaalsContact C-N 3.34Å; K221-Q224 PolarHBondContact O-N 3.48Å; K221-E225 WeakPolarHBondContact CE-OE1 3.48Å; K221-E225 IonicContact NZ-OE1 2.67Å; K221-E225 PolarHBondContact NZ-OE1 3.3Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.45Å |
| 222 | E | 93.1 | Very high | 92.9 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178 | -74.2 | 178.2 | 174.4 | 0 | 0 | 111.4 | I218 L219 Q224 E225 Q226 | I218-E222 HydrophobicContact CG2-CG 4.41Å; I218-E222 WeakPolarHBondContact O-CG 3.38Å; I218-E222 PolarHBondContact O-N 2.95Å; L219-E222 PolarHBondContact O-N 3.47Å; E222-Q224 PolarHBondContact O-N 3.46Å; E222-E225 PolarHBondContact O-N 3.27Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.26Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.93Å |
| 223 | E | 94.4 | Very high | 93.3 | Very high | 137 Ų | 137 | 106.5 Ų | 106.5 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 176 | -175.9 | -179.9 | -175.2 | 0 | 0 | 111.4 | L219 K221 E225 Q226 K227 | L219-E223 WeakPolarHBondContact O-CB 3.49Å; L219-E223 PolarHBondContact O-N 2.96Å; K221-E223 VanDerWaalsContact C-N 3.34Å; E223-E225 PolarHBondContact O-N 3.21Å; E223-Q226 PolarHBondContact O-N 3.48Å; E223-K227 WeakPolarHBondContact O-CB 3.3Å; E223-K227 PolarHBondContact O-N 3.35Å |
| 224 | Q | 95.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 106.2 Ų | 106.2 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 178.5 | -177.5 | 58.9 | 31.1 | 0 | 0 | 111.6 | D220 K221 E222 Q226 K227 E228 | D220-Q224 WeakPolarHBondContact O-CB 3.44Å; D220-Q224 PolarHBondContact O-N 2.96Å; K221-Q224 PolarHBondContact O-N 3.48Å; E222-Q224 PolarHBondContact O-N 3.46Å; Q224-Q226 VanDerWaalsContact C-N 3.35Å; Q224-Q226 PolarHBondContact O-N 3.34Å; Q224-K227 PolarHBondContact O-N 2.88Å; Q224-E228 PolarHBondContact NE2-OE1 3.33Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 3.07Å |
| 225 | E | 95.2 | Very high | 94 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.9 | -74 | 175.8 | -174.5 | 0 | 0 | 112 | K221 E222 E223 E228 A229 | K221-E225 WeakPolarHBondContact CE-OE1 3.48Å; K221-E225 IonicContact NZ-OE1 2.67Å; K221-E225 PolarHBondContact NZ-OE1 3.3Å; K221-E225 WeakPolarHBondContact O-CG 3.43Å; K221-E225 PolarHBondContact O-N 3.45Å; E222-E225 PolarHBondContact O-N 3.27Å; E223-E225 PolarHBondContact O-N 3.21Å; E225-E228 PolarHBondContact O-N 3.47Å; E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 3.5Å |
| 226 | Q | 94.1 | Very high | 94.3 | Very high | 126 Ų | 126 | 106.6 Ų | 106.6 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 176.4 | -72.4 | -63.6 | -27.4 | 0 | 0 | 111.9 | E222 E223 Q224 E228 A229 I230 | E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.26Å; E222-Q226 WeakPolarHBondContact O-CG 3.46Å; E222-Q226 PolarHBondContact O-N 2.93Å; E223-Q226 PolarHBondContact O-N 3.48Å; Q224-Q226 VanDerWaalsContact C-N 3.35Å; Q224-Q226 PolarHBondContact O-N 3.34Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.47Å; Q226-A229 WeakPolarHBondContact O-CB 3.4Å; Q226-A229 PolarHBondContact O-N 2.83Å; Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.91Å |
| 227 | K | 95.7 | Very high | 94.4 | Very high | 119 Ų | 119 | 105.4 Ų | 105.4 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.5 | -178.6 | 179.8 | 177.8 | -178.7 | 0 | 111.1 | E223 Q224 A229 I230 I231 | E223-K227 WeakPolarHBondContact O-CB 3.3Å; E223-K227 PolarHBondContact O-N 3.35Å; Q224-K227 PolarHBondContact O-N 2.88Å; K227-A229 VanDerWaalsContact C-N 3.34Å; K227-A229 PolarHBondContact O-N 3.25Å; K227-I230 PolarHBondContact O-N 3.49Å; K227-I231 HydrophobicContact CG-CD1 3.97Å; K227-I231 VanDerWaalsContact O-CG1 3.3Å; K227-I231 WeakPolarHBondContact O-CG1 3.46Å; K227-I231 PolarHBondContact O-N 3.19Å |
| 228 | E | 96 | Very high | 94.5 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.7 | -73.2 | 176.5 | -164 | 0 | 0 | 112.4 | Q224 E225 Q226 I230 I231 R232 | Q224-E228 PolarHBondContact NE2-OE1 3.33Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 3.07Å; E225-E228 PolarHBondContact O-N 3.47Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; Q226-E228 PolarHBondContact O-N 3.47Å; E228-I230 VanDerWaalsContact C-N 3.33Å; E228-I230 PolarHBondContact O-N 2.87Å; E228-I231 PolarHBondContact O-N 2.96Å; E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 WeakPolarHBondContact O-CG 3.33Å; E228-R232 PolarHBondContact O-N 3.17Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.33Å |
| 229 | A | 94.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 105.7 Ų | 105.7 | 28% | 0.281 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E225 Q226 K227 R233 | E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 3.5Å; Q226-A229 WeakPolarHBondContact O-CB 3.4Å; Q226-A229 PolarHBondContact O-N 2.83Å; K227-A229 VanDerWaalsContact C-N 3.34Å; K227-A229 PolarHBondContact O-N 3.25Å; A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.3Å; A229-R233 PolarHBondContact O-N 3.2Å |
| 230 | I | 96.3 | Very high | 94.7 | Very high | 105 Ų | 105 | 109.7 Ų | 109.7 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 176.1 | -67.5 | 167.1 | 0 | 0 | 0 | 110.8 | Q226 K227 E228 R232 R233 Y234 | Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.91Å; K227-I230 PolarHBondContact O-N 3.49Å; E228-I230 VanDerWaalsContact C-N 3.33Å; E228-I230 PolarHBondContact O-N 2.87Å; I230-R232 PolarHBondContact O-N 3.33Å; I230-R233 PolarHBondContact O-N 2.97Å; I230-Y234 PolarHBondContact O-N 3.22Å |
| 231 | I | 95.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 110.2 Ų | 110.2 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 178.3 | -69.4 | 166.6 | 0 | 0 | 0 | 110 | K227 E228 R233 Y234 E235 | K227-I231 HydrophobicContact CG-CD1 3.97Å; K227-I231 VanDerWaalsContact O-CG1 3.3Å; K227-I231 WeakPolarHBondContact O-CG1 3.46Å; K227-I231 PolarHBondContact O-N 3.19Å; E228-I231 PolarHBondContact O-N 2.96Å; I231-R233 VanDerWaalsContact C-N 3.33Å; I231-R233 PolarHBondContact O-N 3.41Å; I231-Y234 PolarHBondContact O-N 3.11Å; I231-Y234 VanDerWaalsContact O-N 3.1Å; I231-E235 HydrophobicContact CG2-CG 4.29Å; I231-E235 WeakPolarHBondContact O-CG 3.17Å; I231-E235 PolarHBondContact O-N 3.07Å |
| 232 | R | 95.4 | Very high | 94.4 | Very high | 131 Ų | 131 | 109.2 Ų | 109.2 | 49% | 0.494 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 178.2 | -74.7 | -174.1 | -71.5 | -107.8 | 0.1 | 112 | E228 I230 Y234 E235 V236 | E228-R232 WeakPolarHBondContact O-CB 3.39Å; E228-R232 WeakPolarHBondContact O-CG 3.33Å; E228-R232 PolarHBondContact O-N 3.17Å; E228-R232 IonicContact OE2-NH1 3.77Å; E228-R232 PolarHBondContact OE2-NH1 3.33Å; I230-R232 PolarHBondContact O-N 3.33Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 3.46Å; R232-E235 PolarHBondContact O-N 2.98Å; R232-V236 WeakPolarHBondContact O-CG2 3.45Å; R232-V236 PolarHBondContact O-N 3.28Å |
| 233 | R | 95.6 | Very high | 94.3 | Very high | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -40.9 | 177.1 | -75.2 | 174.3 | 65.7 | -173.1 | 2 | 112.1 | A229 I230 I231 C237 | A229-R233 VanDerWaalsContact O-CG 3.31Å; A229-R233 WeakPolarHBondContact O-CG 3.3Å; A229-R233 PolarHBondContact O-N 3.2Å; I230-R233 PolarHBondContact O-N 2.97Å; I231-R233 VanDerWaalsContact C-N 3.33Å; I231-R233 PolarHBondContact O-N 3.41Å; R233-C237 WeakPolarHBondContact O-CB 3.38Å; R233-C237 PolarHBondContact O-N 3.46Å; R233-C237 VanDerWaalsContact O-N 3.08Å |
| 234 | Y | 96.2 | Very high | 94 | Very high | 171 Ų | 171 | 106.5 Ų | 106.5 | 67% | 0.671 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 178 | -168.5 | -93.4 | 0 | 0 | 0 | 111.7 | I230 I231 R232 C237 R238 | I230-Y234 PolarHBondContact O-N 3.22Å; I231-Y234 PolarHBondContact O-N 3.11Å; I231-Y234 VanDerWaalsContact O-N 3.1Å; R232-Y234 VanDerWaalsContact C-N 3.33Å; R232-Y234 PolarHBondContact O-N 3.46Å; Y234-C237 PolarHBondContact O-N 2.99Å; Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 2.76Å |
| 235 | E | 95.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 108.5 Ų | 108.5 | 38% | 0.383 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 176.8 | -73.7 | 175.6 | 164.6 | 0 | 0 | 112.2 | I231 R232 C237 R238 Q239 | I231-E235 HydrophobicContact CG2-CG 4.29Å; I231-E235 WeakPolarHBondContact O-CG 3.17Å; I231-E235 PolarHBondContact O-N 3.07Å; R232-E235 PolarHBondContact O-N 2.98Å; E235-C237 PolarHBondContact O-N 3.38Å; E235-R238 PolarHBondContact O-N 3.49Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 2.97Å |
| 236 | V | 95.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 111.4 Ų | 111.4 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | R232 R238 Q239 R240 | R232-V236 WeakPolarHBondContact O-CG2 3.45Å; R232-V236 PolarHBondContact O-N 3.28Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.04Å; V236-Q239 PolarHBondContact O-N 3.1Å; V236-R240 WeakPolarHBondContact O-CG 3.33Å; V236-R240 PolarHBondContact O-N 3.41Å |
| 237 | C | 93.2 | Very high | 92.1 | Very high | 82 Ų | 82 | 108.9 Ų | 108.9 | 55% | 0.554 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 177 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | R233 Y234 E235 Q239 R240 L241 | R233-C237 WeakPolarHBondContact O-CB 3.38Å; R233-C237 PolarHBondContact O-N 3.46Å; R233-C237 VanDerWaalsContact O-N 3.08Å; Y234-C237 PolarHBondContact O-N 2.99Å; E235-C237 PolarHBondContact O-N 3.38Å; C237-Q239 PolarHBondContact O-N 2.67Å; C237-R240 PolarHBondContact O-N 3.15Å; C237-L241 WeakPolarHBondContact O-CB 3.24Å; C237-L241 PolarHBondContact O-N 3.44Å |
| 238 | R | 93.2 | Very high | 91.1 | Very high | 124 Ų | 124 | 109.4 Ų | 109.4 | 47% | 0.468 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.1 | -175.4 | -179.6 | 67.3 | -178 | -3.5 | 111.9 | Y234 E235 V236 L241 Q242 | Y234-R238 WeakPolarHBondContact O-CB 3.34Å; Y234-R238 PolarHBondContact O-N 2.76Å; E235-R238 PolarHBondContact O-N 3.49Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.04Å; R238-L241 PolarHBondContact O-N 2.91Å; R238-Q242 WeakPolarHBondContact O-CG 3.46Å; R238-Q242 PolarHBondContact O-N 2.95Å |
| 239 | Q | 93.5 | Very high | 89.4 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 49% | 0.486 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61 | -48.9 | 176.8 | -75.9 | 172.5 | -5.9 | 0 | 0 | 111.2 | E235 V236 C237 L241 Q242 E243 | E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 2.97Å; V236-Q239 PolarHBondContact O-N 3.1Å; C237-Q239 PolarHBondContact O-N 2.67Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.24Å; Q239-Q242 WeakPolarHBondContact O-CB 3.42Å; Q239-Q242 PolarHBondContact O-N 3.05Å; Q239-Q242 VanDerWaalsContact O-N 3.1Å; Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 3.27Å |
| 240 | R | 92.1 | Very high | 87.5 | Confident | 172 Ų | 172 | 111.2 Ų | 111.2 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.7 | -39.4 | 176.7 | -71.4 | 178.3 | 178.6 | -172.9 | -0.8 | 112.6 | V236 C237 A244 | V236-R240 WeakPolarHBondContact O-CG 3.33Å; V236-R240 PolarHBondContact O-N 3.41Å; C237-R240 PolarHBondContact O-N 3.15Å; R240-A244 WeakPolarHBondContact O-CB 3.33Å; R240-A244 PolarHBondContact O-N 3.37Å |
| 241 | L | 91.5 | Very high | 85.5 | Confident | 112 Ų | 112 | 112.3 Ų | 112.3 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 176.5 | -172.2 | 67.4 | 0 | 0 | 0 | 111.5 | C237 R238 Q239 A244 M245 | C237-L241 WeakPolarHBondContact O-CB 3.24Å; C237-L241 PolarHBondContact O-N 3.44Å; R238-L241 PolarHBondContact O-N 2.91Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.24Å; L241-A244 PolarHBondContact O-N 3.1Å; L241-M245 VanDerWaalsContact O-CG 3.3Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 2.9Å |
| 242 | Q | 91.7 | Very high | 83 | Confident | 105 Ų | 105 | 118 Ų | 118 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64 | -42.7 | 176.9 | -73.9 | 173.3 | -25.2 | 0 | 0 | 112.1 | R238 Q239 M245 M246 | R238-Q242 WeakPolarHBondContact O-CG 3.46Å; R238-Q242 PolarHBondContact O-N 2.95Å; Q239-Q242 WeakPolarHBondContact O-CB 3.42Å; Q239-Q242 PolarHBondContact O-N 3.05Å; Q239-Q242 VanDerWaalsContact O-N 3.1Å; Q242-M245 PolarHBondContact O-N 3.02Å; Q242-M246 VanDerWaalsContact O-CG 3.24Å; Q242-M246 WeakPolarHBondContact O-CG 3.34Å; Q242-M246 PolarHBondContact O-N 3.4Å |
| 243 | E | 90 | Very high | 82.4 | Confident | 130 Ų | 130 | 117.4 Ų | 117.4 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.9 | -45.5 | 174.5 | -72.2 | 170.4 | -179.1 | 0 | 0 | 111.5 | Q239 M245 M246 A247 | Q239-E243 WeakPolarHBondContact O-CG 3.37Å; Q239-E243 PolarHBondContact O-N 3.27Å; E243-M245 VanDerWaalsContact C-N 3.34Å; E243-M245 PolarHBondContact O-N 2.9Å; E243-M246 PolarHBondContact O-N 2.91Å; E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 2.67Å |
| 244 | A | 87.9 | Confident | 81.7 | Confident | 53 Ų | 53 | 113.4 Ų | 113.4 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R240 L241 A247 V248 | R240-A244 WeakPolarHBondContact O-CB 3.33Å; R240-A244 PolarHBondContact O-N 3.37Å; L241-A244 PolarHBondContact O-N 3.1Å; A244-A247 PolarHBondContact O-N 3Å; A244-V248 WeakPolarHBondContact O-CG2 3.33Å; A244-V248 PolarHBondContact O-N 2.96Å |
| 245 | M | 84.3 | Confident | 80.9 | Confident | 132 Ų | 132 | 110.2 Ų | 110.2 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 176.1 | -71.5 | 179.9 | 72.9 | 0 | 0 | 112.3 | L241 Q242 E243 V248 G249 | L241-M245 VanDerWaalsContact O-CG 3.3Å; L241-M245 WeakPolarHBondContact O-CG 3.43Å; L241-M245 PolarHBondContact O-N 2.9Å; Q242-M245 PolarHBondContact O-N 3.02Å; E243-M245 VanDerWaalsContact C-N 3.34Å; E243-M245 PolarHBondContact O-N 2.9Å; M245-V248 PolarHBondContact O-N 2.99Å; M245-G249 PolarHBondContact O-N 3.25Å |
| 246 | M | 83.6 | Confident | 80.1 | Confident | 150 Ų | 150 | 111.9 Ų | 111.9 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.1 | -37.4 | 177.3 | -67.8 | -102 | -79.4 | 0 | 0 | 112 | Q242 E243 V248 G249 S250 | Q242-M246 VanDerWaalsContact O-CG 3.24Å; Q242-M246 WeakPolarHBondContact O-CG 3.34Å; Q242-M246 PolarHBondContact O-N 3.4Å; E243-M246 PolarHBondContact O-N 2.91Å; M246-V248 VanDerWaalsContact C-N 3.34Å; M246-V248 PolarHBondContact O-N 2.97Å; M246-G249 PolarHBondContact O-N 3Å; M246-S250 PolarHBondContact O-OG 3.45Å |
| 247 | A | 76.8 | Confident | 79.1 | Confident | 73 Ų | 73 | 114.8 Ų | 114.8 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.8 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E243 A244 | E243-A247 WeakPolarHBondContact O-CB 3.35Å; E243-A247 PolarHBondContact O-N 2.67Å; A244-A247 PolarHBondContact O-N 3Å |
| 248 | V | 74 | Confident | 78.2 | Confident | 129 Ų | 129 | 116.9 Ų | 116.9 | 78% | 0.782 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.3 | -24.1 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | A244 M245 M246 | A244-V248 WeakPolarHBondContact O-CG2 3.33Å; A244-V248 PolarHBondContact O-N 2.96Å; M245-V248 PolarHBondContact O-N 2.99Å; M246-V248 VanDerWaalsContact C-N 3.34Å; M246-V248 PolarHBondContact O-N 2.97Å |
| 249 | G | 61.3 | Low | 77.1 | Confident | 60 Ų | 60 | 116.4 Ų | 116.4 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 1.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | M245 M246 P251 | M245-G249 PolarHBondContact O-N 3.25Å; M246-G249 PolarHBondContact O-N 3Å; G249-P251 WeakPolarHBondContact O-CD 3.38Å |
| 250 | S | 54.3 | Low | 75.8 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | trans | -90.8 | 106.3 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | M246 | M246-S250 PolarHBondContact O-OG 3.45Š| ||
| 251 | P | 54.7 | Low | 74.5 | Confident | 127 Ų | 127 | 112.8 Ų | 112.8 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | -71.5 | 142.3 | 176.8 | -4.7 | 22.7 | 0 | 0 | 0 | 109.7 | G249 | G249-P251 WeakPolarHBondContact O-CD 3.38Š| ||
| 252 | S | 43.8 | Very low | 72.9 | Confident | 196 Ų | 196 | 112.9 Ų | 112.9 | 100% | 1.371 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 0 | 162.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 252 of 252 residues in 41.3 ms
(Link to these results)