| 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 | 48 | Very low | 52.9 | Low | 245 Ų | 245 | 152.4 Ų | 152.4 | 100% | 1.207 | 81% | 0.81 | S | S | * | * | 0 | 101 | 0 | -70 | -63.2 | -177.9 | 0 | 0 | 105.2 | |||||
| 2 | D | 49.6 | Very low | 52.3 | Low | 164 Ų | 164 | 152.3 Ų | 152.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 155 | -160.6 | -85.2 | -50.7 | 0 | 0 | 0 | 115.8 | ||||
| 3 | P | 62.9 | Low | 51.9 | Low | 111 Ų | 111 | 150.8 Ų | 150.8 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -103.7 | 155.2 | 168 | 38.9 | -28.8 | 0 | 0 | 0 | 112.4 | ||||
| 4 | T | 61.4 | Low | 51.5 | Low | 129 Ų | 129 | 151.3 Ų | 151.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -135.8 | 104.4 | 170.7 | 23.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | L | 55.2 | Low | 51.3 | Low | 136 Ų | 136 | 150.1 Ų | 150.1 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | 75 | 102.4 | 96.7 | -68.9 | -175.9 | 0 | 0 | 0 | 112.1 | |||||
| 6 | K | 56.4 | Low | 50.7 | Low | 174 Ų | 174 | 149.8 Ų | 149.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | 100.7 | 112.2 | 72.2 | -92.2 | -165.7 | -164.7 | -176.7 | 0 | 110.9 | L8 | K6-L8 HydrophobicContact CD-CD1 4.05Š| |||
| 7 | S | 44.2 | Very low | 50.1 | Low | 116 Ų | 116 | 150.4 Ų | 150.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 135.2 | 155.5 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | L | 50.7 | Low | 49.6 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 67% | 0.665 | 79% | 0.788 | S | S | * | * | trans | -148.3 | 114.3 | 167 | -117.8 | 97.3 | 0 | 0 | 0 | 110.8 | K6 | K6-L8 HydrophobicContact CD-CD1 4.05Š| ||
| 9 | Y | 49.7 | Very low | 49.3 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 43.5 | 137.5 | 149.1 | -60.3 | -78.2 | 0 | 0 | 0 | 123.6 | ||||
| 10 | P | 52.5 | Low | 49.1 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86 | 142 | 142.7 | 34.2 | -25 | 0 | 0 | 0 | 110.9 | ||
| 11 | I | 51.6 | Low | 48.7 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 130.3 | 177.7 | -66.7 | 173.7 | 0 | 0 | 0 | 108.7 | ||
| 12 | N | 44.9 | Very low | 48.2 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.5 | 162.7 | -73.8 | -23.4 | 0 | 0 | 0 | 108.9 | ||
| 13 | D | 47.3 | Very low | 48 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -155 | 111.7 | 147 | -80.8 | -37.9 | 0 | 0 | 0 | 107.2 | ||||
| 14 | E | 46.5 | Very low | 47.1 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 81.7 | 103.9 | 103.5 | -71.4 | -164.1 | 135.4 | 0 | 0 | 113.7 | |||||
| 15 | N | 48.4 | Very low | 46.2 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | 72.3 | 104.2 | 100.6 | -72.6 | -20.6 | 0 | 0 | 0 | 114.9 | |||||
| 16 | N | 42.1 | Very low | 45.8 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | -176.5 | 103.4 | 114.5 | -96.1 | -17.3 | 0 | 0 | 0 | 111.7 | |||||
| 17 | N | 40.6 | Very low | 45.1 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -98.4 | 97 | 166.3 | -54.4 | 4.2 | 0 | 0 | 0 | 106.2 | ||||
| 18 | T | 40.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -111.7 | 91.1 | 171.7 | -62 | 0 | 0 | 0 | 0 | 108.6 | Q20 | T18-Q20 HydrophobicContact CG2-CG 4.35Š| ||
| 19 | T | 44.1 | Very low | 44.7 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | -81.9 | 105.3 | 164.1 | -40.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 20 | Q | 46.2 | Very low | 44.7 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | trans | -103.2 | 114 | 166.4 | -97.6 | -171.4 | -36.1 | 0 | 0 | 109.9 | T18 | T18-Q20 HydrophobicContact CG2-CG 4.35Š| ||
| 21 | N | 39.8 | Very low | 44.3 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -90.1 | 111.4 | 178.8 | -168.9 | 13.3 | 0 | 0 | 0 | 107.4 | ||||
| 22 | W | 38.7 | Very low | 43.9 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | trans | -109.9 | 97.9 | 171.7 | -84.5 | 14.3 | 0 | 0 | 0 | 109.3 | ||||
| 23 | S | 43.7 | Very low | 43.6 | Very low | 87 Ų | 87 | 147.9 Ų | 147.9 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | trans | -79.9 | 158.5 | 158.1 | -67.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | Q | 45 | Very low | 43.8 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 102.4 | 93.2 | 162.7 | -92.8 | 103.3 | -0.1 | 0 | 0 | 118 | ||||
| 25 | D | 41.9 | Very low | 43.6 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -82.9 | 150.3 | 142.3 | -67.1 | -45.2 | 0 | 0 | 0 | 110.4 | ||||
| 26 | P | 47.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | -139.8 | 133.6 | 127.6 | 32.9 | -17.3 | 0 | 0 | 0 | 114.1 | |||||
| 27 | D | 40.4 | Very low | 42.7 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | 45.2 | 115.3 | 132.7 | -165 | 18 | 0 | 0 | 0 | 119.2 | T29 | D27-T29 PolarHBondContact OD1-OG1 3.15Š| ||
| 28 | L | 43.9 | Very low | 42.4 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -156 | 114.5 | 137.3 | -104.3 | 143.4 | 0 | 0 | 0 | 112.3 | ||||
| 29 | T | 44.4 | Very low | 42.5 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 59% | 0.589 | 79% | 0.788 | S | S | * | * | trans | -64 | 138.3 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | D27 | D27-T29 PolarHBondContact OD1-OG1 3.15Š| ||
| 30 | D | 48.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 174.6 | 100.5 | 130.7 | -109.7 | -16.1 | 0 | 0 | 0 | 109.8 | ||||
| 31 | Q | 44.4 | Very low | 41.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | 46.7 | 98 | 97.4 | -59.6 | -148.4 | 13.2 | 0 | 0 | 115.9 | |||||
| 32 | N | 42.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -162.5 | 119.3 | 121.5 | -111.5 | -33.9 | 0 | 0 | 0 | 111.8 | |||||
| 33 | E | 39.4 | Very low | 41.2 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -69.7 | 162 | 167.4 | -66.7 | -173.3 | 120.2 | 0 | 0 | 111.5 | ||||
| 34 | V | 51.5 | Low | 41.1 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | 158.1 | 143.5 | 128.2 | 161.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 35 | P | 43 | Very low | 40.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | -120.4 | 172.2 | -125.5 | 43.4 | -35.8 | 0 | 0 | 0 | 117 | |||||
| 36 | L | 31.4 | Very low | 40.5 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -2.6 | 127.2 | 155.4 | -68.3 | 152.7 | 0 | 0 | 0 | 117.8 | ||||
| 37 | S | 40.1 | Very low | 40.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -118.4 | 105 | 156.8 | -70.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | T | 34.6 | Very low | 40.2 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 128.3 | 162.8 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | T | 41 | Very low | 39.9 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -125.6 | 102 | 162.8 | -87.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 40 | T | 37.6 | Very low | 40.1 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 30.4 | 110.5 | 131.3 | -49.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 41 | V | 33.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -42.9 | 133.8 | 153.5 | -88.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | Q | 36.1 | Very low | 39.6 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -133.2 | 103.6 | 157.4 | -144.4 | 155.2 | 11.3 | 0 | 0 | 109.6 | ||||
| 43 | S | 34.9 | Very low | 39.6 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -53.7 | 124.7 | 166.1 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 44 | V | 41.8 | Very low | 39.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -126.8 | 129.3 | 161.4 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 45 | S | 38.1 | Very low | 39.4 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -75.5 | 155.2 | -169.9 | 4.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 46 | D | 36.5 | Very low | 39.3 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 45.6 | 107.8 | 136.5 | -47.4 | -42.2 | 0 | 0 | 0 | 118.3 | ||||
| 47 | D | 40.3 | Very low | 40.1 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 172.8 | 158.7 | 106.2 | -109.6 | -52.1 | 0 | 0 | 0 | 111.3 | |||||
| 48 | D | 41.7 | Very low | 40.4 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 81.3 | 66.1 | 167.9 | -61.8 | -35.3 | 0 | 0 | 0 | 119.5 | ||||
| 49 | N | 37.3 | Very low | 41.1 | Very low | 169 Ų | 169 | 146 Ų | 146 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -91.3 | 90.5 | 151.2 | -154.6 | 15.5 | 0 | 0 | 0 | 108.8 | ||||
| 50 | Q | 48.6 | Very low | 41.5 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -83.4 | 134 | 170.9 | -75.6 | -78.7 | -13.3 | 0 | 0 | 109.8 | ||||
| 51 | P | 39.8 | Very low | 42 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -73.5 | 131 | 176.3 | 30.8 | -31 | 0 | 0 | 0 | 109.5 | V53 | P51-V53 PolarHBondContact O-N 2.95Š| ||
| 52 | I | 42.4 | Very low | 42.7 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -60.6 | 106.9 | 167.9 | -63.1 | 171.1 | 0 | 0 | 0 | 107.3 | E54 | I52-E54 PolarHBondContact O-N 3.4Š| ||
| 53 | V | 42.1 | Very low | 43.1 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 106.4 | 172.4 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | P51 Q55 | P51-V53 PolarHBondContact O-N 2.95Å; V53-Q55 PolarHBondContact O-N 3Å; V53-Q55 VanDerWaalsContact O-N 3.1Å | ||
| 54 | E | 41.3 | Very low | 43.5 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -51.7 | 114.8 | 166.8 | -82.1 | -177.2 | 161.1 | 0 | 0 | 109.7 | I52 | I52-E54 PolarHBondContact O-N 3.4Š| ||
| 55 | Q | 44.5 | Very low | 43.7 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 127.3 | 170.5 | -69.5 | -77 | -48.9 | 0 | 0 | 108.2 | V53 F57 | V53-Q55 PolarHBondContact O-N 3Å; V53-Q55 VanDerWaalsContact O-N 3.1Å; Q55-F57 PolarHBondContact O-N 3.14Å | ||
| 56 | P | 42.4 | Very low | 43.8 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -67.3 | 118.5 | 175.2 | 26.5 | -31.5 | 0 | 0 | 0 | 109.5 | K58 | P56-K58 PolarHBondContact O-N 2.79Š| ||
| 57 | F | 47.3 | Very low | 44.3 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -56.2 | 114.9 | 171.7 | -84.9 | -85.1 | 0 | 0 | 0 | 109.8 | Q55 K59 | Q55-F57 PolarHBondContact O-N 3.14Å; F57-K59 PolarHBondContact O-N 3.44Å | ||
| 58 | K | 46.2 | Very low | 44.3 | Very low | 200 Ų | 200 | 154.5 Ų | 154.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 111.6 | 172.8 | -80 | 175.8 | -179.4 | 167.6 | 0 | 108.4 | P56 | P56-K58 PolarHBondContact O-N 2.79Š| ||
| 59 | K | 50.1 | Low | 44.1 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -47.3 | 130.1 | 167.6 | -71.3 | -178 | 179 | -176.8 | 0 | 109.8 | F57 K61 | F57-K59 PolarHBondContact O-N 3.44Å; K59-K61 PolarHBondContact O-N 3.39Å | ||
| 60 | P | 48 | Very low | 44.3 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | trans | -61.2 | 133.6 | 174.4 | 22.9 | -29.3 | 0 | 0 | 0 | 109.2 | L62 | P60-L62 PolarHBondContact O-N 3.17Š| ||
| 61 | K | 48.9 | Very low | 43.8 | Very low | 204 Ų | 204 | 155.8 Ų | 155.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 104.6 | 174.1 | -72.3 | 179.2 | 179.9 | 174.2 | 0 | 108 | K59 L63 | K59-K61 PolarHBondContact O-N 3.39Å; K61-L63 PolarHBondContact O-N 3.49Å; K61-L63 VanDerWaalsContact O-N 3.09Å | ||
| 62 | L | 48.9 | Very low | 43.8 | Very low | 137 Ų | 137 | 157 Ų | 157 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 109.7 | 167.3 | -62.1 | -172.7 | 0 | 0 | 0 | 108.2 | P60 N64 A185 | P60-L62 PolarHBondContact O-N 3.17Å; L62-N64 PolarHBondContact O-N 3.17Å; L62-A185 HydrophobicContact CD1-CB 4.45Å | ||
| 63 | L | 44.6 | Very low | 44 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -62.1 | 116 | 167.5 | -81.4 | 161.5 | 0 | 0 | 0 | 107.8 | K61 M65 | K61-L63 PolarHBondContact O-N 3.49Å; K61-L63 VanDerWaalsContact O-N 3.09Å; L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 3.35Å | ||
| 64 | N | 42.6 | Very low | 43.7 | Very low | 171 Ų | 171 | 165.7 Ų | 165.7 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -54 | 96.1 | 163.6 | -102.4 | 42.1 | 0 | 0 | 0 | 108.6 | L62 | L62-N64 PolarHBondContact O-N 3.17Š| ||
| 65 | M | 47 | Very low | 43.5 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -93.6 | 113.4 | 166 | -67.2 | -148.3 | -68.8 | 0 | 0 | 108.3 | L63 I67 | L63-M65 VanDerWaalsContact C-N 3.33Å; L63-M65 PolarHBondContact O-N 3.35Å; M65-I67 PolarHBondContact O-N 2.88Å | ||
| 66 | N | 38.2 | Very low | 43 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -63.8 | 116.8 | -179.5 | -163.2 | 4.8 | 0 | 0 | 0 | 109.5 | D68 | N66-D68 VanDerWaalsContact C-N 3.27Å; N66-D68 PolarHBondContact O-N 3.17Å | ||
| 67 | I | 49 | Very low | 43.1 | Very low | 162 Ų | 162 | 162.3 Ų | 162.3 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -86.3 | 8.8 | -174.1 | -72.8 | 168.3 | 0 | 0 | 0 | 112.5 | M65 | M65-I67 PolarHBondContact O-N 2.88Š| ||
| 68 | D | 38.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 159.6 Ų | 159.6 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -117.8 | 77 | 178.8 | -77 | -37.2 | 0 | 0 | 0 | 112.3 | N66 | N66-D68 VanDerWaalsContact C-N 3.27Å; N66-D68 PolarHBondContact O-N 3.17Å | ||
| 69 | S | 38.8 | Very low | 42.4 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -170.3 | 60.4 | 156.6 | -140.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 70 | L | 41.8 | Very low | 41.8 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 60.7 | 160.5 | -71.1 | 178.8 | 0 | 0 | 0 | 110.1 | ||||
| 71 | Q | 37.1 | Very low | 41.6 | Very low | 190 Ų | 190 | 153.4 Ų | 153.4 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -106.8 | 94.6 | 155.5 | -74.8 | -160.6 | -3.1 | 0 | 0 | 109 | ||||
| 72 | T | 40.9 | Very low | 41.4 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -150.7 | 115 | 149.7 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 73 | K | 44.5 | Very low | 41.3 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | 56.1 | 116.8 | 152.3 | -61.4 | -177.9 | 175.8 | 179 | 0 | 116.3 | ||||
| 74 | R | 37.5 | Very low | 40.9 | Very low | 253 Ų | 253 | 149.9 Ų | 149.9 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | 173.5 | 134.7 | 62.6 | -162.5 | -179.6 | -162.9 | -165.9 | 3.9 | 108.8 | |||||
| 75 | G | 35.8 | Very low | 41.2 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 98.6 | 101 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 76 | E | 34.7 | Very low | 40.9 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -70.3 | 149.5 | 161.1 | -60.7 | -166.9 | 140.6 | 0 | 0 | 110.5 | ||||
| 77 | P | 43.6 | Very low | 40.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -140.5 | 133.9 | 88.3 | 32.8 | -15.6 | 0 | 0 | 0 | 115.3 | |||||
| 78 | N | 34.4 | Very low | 40.5 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 5.3 | 116.5 | 142.5 | -107.4 | -51.1 | 0 | 0 | 0 | 118 | ||||
| 79 | V | 45.6 | Very low | 40.5 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -149.2 | 108.1 | 131.5 | -97.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 80 | S | 37.7 | Very low | 40.6 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | trans | -60.1 | 156.5 | 160 | 6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 81 | N | 44.1 | Very low | 40.8 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 93.2 | 106.9 | -175.8 | -44.4 | -33.5 | 0 | 0 | 0 | 110.4 | ||||
| 82 | I | 43.7 | Very low | 41 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | -162.6 | 113.2 | 72.2 | -77.5 | 145.4 | 0 | 0 | 0 | 109.7 | |||||
| 83 | I | 46.6 | Very low | 40.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | 26.6 | 126.6 | 142.9 | -46.2 | 176.7 | 0 | 0 | 0 | 120 | V85 | I83-V85 HydrophobicContact CG2-CG2 3.97Š| ||
| 84 | P | 37.3 | Very low | 40.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -94.9 | 137.9 | 161.1 | 35.7 | -26.2 | 0 | 0 | 0 | 111.5 | ||||
| 85 | V | 47.5 | Very low | 40.5 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -122.8 | 101.3 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | I83 | I83-V85 HydrophobicContact CG2-CG2 3.97Š| ||
| 86 | I | 41.5 | Very low | 40.8 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 97.2 | 136.1 | -52 | 173.4 | 0 | 0 | 0 | 118.1 | ||||
| 87 | E | 37.5 | Very low | 41.1 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 131.9 | 135.9 | -68.9 | 178.5 | 152 | 0 | 0 | 109.6 | ||||
| 88 | Q | 40.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 167.4 | 100.8 | 139.9 | -92.7 | 170.6 | 39.7 | 0 | 0 | 110.4 | ||||
| 89 | S | 39.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -156.2 | 90.6 | 155.5 | 168.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 90 | S | 40.6 | Very low | 41.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 124.9 | 168.4 | -18.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 91 | V | 46.7 | Very low | 40.9 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 134.3 | 154.8 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 92 | P | 40.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -89.8 | 145.9 | -167.6 | 34.7 | -33.8 | 0 | 0 | 0 | 113.1 | ||||
| 93 | S | 32.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -60.4 | 128.6 | 166.6 | -47 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 94 | S | 40.5 | Very low | 39.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -117 | 103.8 | 165.1 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 95 | S | 39.7 | Very low | 39.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 132.2 | 165.9 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | T | 42.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -130.5 | 109 | 158.8 | -45.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 97 | H | 40.9 | Very low | 39.1 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -65.3 | 129.1 | 165 | -81.7 | -97.5 | 0 | 0 | 0 | 110 | ||||
| 98 | I | 43.9 | Very low | 39 | Very low | 165 Ų | 165 | 137 Ų | 137 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -133.3 | 104.7 | 152.3 | 32.8 | 171.1 | 0 | 0 | 0 | 107.4 | ||||
| 99 | S | 38.3 | Very low | 39 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 126.4 | 162.8 | -56.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 100 | E | 41 | Very low | 39.1 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -154.4 | 119 | 147.8 | -113.6 | 167.7 | -156 | 0 | 0 | 110 | ||||
| 101 | T | 33.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 150.3 | 169.9 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 102 | V | 40.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | 162.9 | 112 | 127.7 | 160.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 103 | T | 34.7 | Very low | 38.3 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 52.3 | 118.8 | 145.3 | 60.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 104 | N | 36.1 | Very low | 38.7 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -36.7 | 137.3 | 150.7 | -55.9 | -35 | 0 | 0 | 0 | 115.2 | ||||
| 105 | Q | 39.8 | Very low | 38.6 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | 161.9 | 156.5 | 118.9 | -86.8 | 171.8 | 49.2 | 0 | 0 | 111.4 | |||||
| 106 | C | 33.9 | Very low | 38.6 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 100.1 | 89 | 163.3 | -61.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 107 | E | 38.9 | Very low | 38.5 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | 56 | 115.1 | 116.6 | -73.6 | 171.8 | 151.6 | 0 | 0 | 119.5 | |||||
| 108 | V | 34.9 | Very low | 38.4 | Very low | 130 Ų | 130 | 145 Ų | 145 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 109.7 | 169.4 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | I110 | V108-I110 HydrophobicContact CG1-CD1 3.94Å; V108-I110 HydrophobicContact CG1-CG1 3.8Å | ||
| 109 | E | 40.2 | Very low | 38.6 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 107.4 | 156.8 | -71.9 | -167.9 | 163.9 | 0 | 0 | 108.1 | ||||
| 110 | I | 41.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -112.6 | 100.8 | 163.4 | -63.8 | 175.3 | 0 | 0 | 0 | 107.3 | V108 T112 | V108-I110 HydrophobicContact CG1-CD1 3.94Å; V108-I110 HydrophobicContact CG1-CG1 3.8Å; I110-T112 HydrophobicContact CG2-CG2 4.02Å | ||
| 111 | L | 36.7 | Very low | 39.4 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -79.2 | 114.1 | 163 | -64 | 167.7 | 0 | 0 | 0 | 108 | ||||
| 112 | T | 37.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 90.9 | 159.5 | 50 | 0 | 0 | 0 | 0 | 109.4 | I110 | I110-T112 HydrophobicContact CG2-CG2 4.02Š| ||
| 113 | N | 36.5 | Very low | 40 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -85.6 | 117.9 | 155 | -87.3 | -4.2 | 0 | 0 | 0 | 108 | ||||
| 114 | T | 41.9 | Very low | 40.6 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -157.6 | 91.2 | 136.8 | 43.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 115 | N | 38.5 | Very low | 40.7 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -9.3 | 146.2 | 147.2 | -90.2 | 1.6 | 0 | 0 | 0 | 121.1 | ||||
| 116 | L | 38.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | 86.2 | 107.6 | 140 | -95.4 | 78.3 | 0 | 0 | 0 | 118.4 | ||||
| 117 | L | 41.5 | Very low | 41.4 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | -166.2 | 127.2 | 89.6 | -88.6 | 160.8 | 0 | 0 | 0 | 110 | |||||
| 118 | D | 38.6 | Very low | 41.6 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -72.1 | 136 | 177.1 | -59.8 | -54.2 | 0 | 0 | 0 | 111.3 | ||||
| 119 | D | 47.7 | Very low | 42.4 | Very low | 174 Ų | 174 | 154 Ų | 154 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -142.6 | 111.6 | 146.5 | -91 | -42.9 | 0 | 0 | 0 | 106.8 | ||||
| 120 | E | 45.6 | Very low | 42.7 | Very low | 177 Ų | 177 | 153.9 Ų | 153.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 119.5 | 175.1 | -63.1 | -148.7 | 161.1 | 0 | 0 | 110 | ||||
| 121 | E | 51.3 | Low | 43 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -127.2 | 114.3 | 143.2 | -77.9 | -146.4 | 164.6 | 0 | 0 | 109.2 | V123 | E121-V123 PolarHBondContact O-N 2.84Š| ||
| 122 | T | 35.1 | Very low | 43.7 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -53.2 | 118.4 | 161 | 42.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 123 | V | 51.7 | Low | 44.2 | Very low | 132 Ų | 132 | 155.7 Ų | 155.7 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -137.8 | 123.4 | 160.1 | -128.9 | 0 | 0 | 0 | 0 | 107.9 | E121 | E121-V123 PolarHBondContact O-N 2.84Š| ||
| 124 | E | 47.5 | Very low | 44.6 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -54.3 | 143.9 | -175.5 | -60.9 | -85.5 | 161.2 | 0 | 0 | 112.2 | D126 | E124-D126 PolarHBondContact O-N 2.92Š| ||
| 125 | D | 36.5 | Very low | 44.8 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -55.1 | 112 | 164.4 | -91.5 | -38.2 | 0 | 0 | 0 | 109.5 | ||||
| 126 | D | 43.9 | Very low | 45.3 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -125 | 106 | 155.6 | -84.4 | -41.1 | 0 | 0 | 0 | 107.5 | E124 D128 | E124-D126 PolarHBondContact O-N 2.92Å; D126-D128 PolarHBondContact O-N 2.76Å | ||
| 127 | E | 44.9 | Very low | 45.8 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -68.4 | 86.7 | 171.5 | -64.8 | 179.4 | 161.6 | 0 | 0 | 109.4 | ||||
| 128 | D | 42.9 | Very low | 46.1 | Very low | 138 Ų | 138 | 156 Ų | 156 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -106.7 | 102.7 | 167.4 | -76.9 | -38 | 0 | 0 | 0 | 109.8 | D126 E130 | D126-D128 PolarHBondContact O-N 2.76Å; D128-E130 VanDerWaalsContact C-N 3.33Å; D128-E130 PolarHBondContact O-N 3.36Å | ||
| 129 | E | 51.8 | Low | 46.4 | Very low | 183 Ų | 183 | 156.9 Ų | 156.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 93.3 | 162.6 | -66.3 | -173.1 | 169 | 0 | 0 | 108.7 | E131 | E129-E131 VanDerWaalsContact C-N 3.3Å; E129-E131 PolarHBondContact O-N 3.23Å | ||
| 130 | E | 47.8 | Very low | 46.4 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 89.7 | 169.2 | -70.2 | -118.6 | 173.7 | 0 | 0 | 108.9 | D128 V132 | D128-E130 VanDerWaalsContact C-N 3.33Å; D128-E130 PolarHBondContact O-N 3.36Å; E130-V132 PolarHBondContact O-N 3.3Å | ||
| 131 | E | 47.8 | Very low | 46.5 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -57.6 | 103.4 | 155.1 | -70.9 | -151.1 | 171.2 | 0 | 0 | 107.7 | E129 E133 | E129-E131 VanDerWaalsContact C-N 3.3Å; E129-E131 PolarHBondContact O-N 3.23Å; E131-E133 PolarHBondContact O-N 3.28Å | ||
| 132 | V | 51.2 | Low | 46.4 | Very low | 125 Ų | 125 | 155 Ų | 155 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -66 | 89.1 | 167.3 | -80.6 | 0 | 0 | 0 | 0 | 108.1 | E130 D134 | E130-V132 PolarHBondContact O-N 3.3Å; V132-D134 PolarHBondContact O-N 2.93Å | ||
| 133 | E | 47.2 | Very low | 47 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -59.1 | 116.9 | 164.1 | -69.4 | -132.1 | -172.5 | 0 | 0 | 107.9 | E131 D135 | E131-E133 PolarHBondContact O-N 3.28Å; E133-D135 VanDerWaalsContact C-N 3.25Å; E133-D135 PolarHBondContact O-N 3.22Å | ||
| 134 | D | 44.9 | Very low | 46.9 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 88.9 | 170.1 | -79 | -45.8 | 0 | 0 | 0 | 108.1 | V132 D136 | V132-D134 PolarHBondContact O-N 2.93Å; D134-D136 PolarHBondContact O-N 3.48Å | ||
| 135 | D | 44.9 | Very low | 46.9 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -75.5 | 64.2 | 170.2 | -148.1 | 20.7 | 0 | 0 | 0 | 108.7 | E133 E137 | E133-D135 VanDerWaalsContact C-N 3.25Å; E133-D135 PolarHBondContact O-N 3.22Å; D135-E137 PolarHBondContact O-N 3.07Å | ||
| 136 | D | 49.6 | Very low | 47.5 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -72.8 | 74.7 | 156.7 | -85 | -28.3 | 0 | 0 | 0 | 106.3 | D134 E138 | D134-D136 PolarHBondContact O-N 3.48Å; D136-E138 PolarHBondContact O-N 3.03Å | ||
| 137 | E | 49.2 | Very low | 47.6 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 93.5 | 157.9 | -73.3 | -170.7 | 158.3 | 0 | 0 | 106.3 | D135 E139 | D135-E137 PolarHBondContact O-N 3.07Å; E137-E139 PolarHBondContact O-N 2.94Å | ||
| 138 | E | 47 | Very low | 48 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | -54.8 | 96.8 | 152.4 | -70.2 | -164.3 | 178.8 | 0 | 0 | 105.7 | D136 E140 | D136-E138 PolarHBondContact O-N 3.03Å; E138-E140 PolarHBondContact O-N 3Å | ||
| 139 | E | 46.8 | Very low | 48.3 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -58.5 | 87.9 | 162.9 | -68.2 | -90.1 | -167 | 0 | 0 | 106.3 | E137 D141 | E137-E139 PolarHBondContact O-N 2.94Å; E139-D141 VanDerWaalsContact C-N 3.29Å; E139-D141 PolarHBondContact O-N 2.64Å | ||
| 140 | E | 46.6 | Very low | 48 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 100 | 158.1 | -73.2 | -170.5 | 168.3 | 0 | 0 | 105.4 | E138 E142 | E138-E140 PolarHBondContact O-N 3Å; E140-E142 VanDerWaalsContact C-N 3.27Å; E140-E142 PolarHBondContact O-N 2.68Å | ||
| 141 | D | 48.2 | Very low | 48.2 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -54.5 | 93.4 | 170.1 | -72.2 | -52.6 | 0 | 0 | 0 | 108.6 | E139 D143 | E139-D141 VanDerWaalsContact C-N 3.29Å; E139-D141 PolarHBondContact O-N 2.64Å; D141-D143 PolarHBondContact O-N 3.46Å | ||
| 142 | E | 48.9 | Very low | 48.7 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 101.8 | 166.9 | -78 | -170.6 | 157.6 | 0 | 0 | 107.7 | E140 D144 | E140-E142 VanDerWaalsContact C-N 3.27Å; E140-E142 PolarHBondContact O-N 2.68Å; E142-D144 PolarHBondContact O-N 3.25Å | ||
| 143 | D | 48.2 | Very low | 49.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -64.5 | 75.8 | 169.7 | -174.9 | 12.1 | 0 | 0 | 0 | 110.1 | D141 S145 | D141-D143 PolarHBondContact O-N 3.46Å; D143-S145 PolarHBondContact O-N 3.39Å | ||
| 144 | D | 49.3 | Very low | 49.7 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -80.3 | 66.4 | 170.4 | -115.2 | -4 | 0 | 0 | 0 | 109.4 | E142 A146 | E142-D144 PolarHBondContact O-N 3.25Å; D144-A146 PolarHBondContact O-N 2.88Å | ||
| 145 | S | 47.6 | Very low | 50.4 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 77.8 | 166.7 | -167.1 | 0 | 0 | 0 | 0 | 109.7 | D143 | D143-S145 PolarHBondContact O-N 3.39Š| ||
| 146 | A | 48.6 | Very low | 51.2 | Low | 68 Ų | 68 | 132.4 Ų | 132.4 | 56% | 0.562 | 74% | 0.744 | S | S | * | * | trans | -123.2 | 103.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D144 | D144-A146 PolarHBondContact O-N 2.88Š| ||
| 147 | T | 45.8 | Very low | 51.9 | Low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | 73.2 | 102.4 | 147.6 | 67.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 148 | V | 53.2 | Low | 52.8 | Low | 149 Ų | 149 | 126.9 Ų | 126.9 | 90% | 0.903 | 73% | 0.725 | S | S | * | * | -156.1 | 140.4 | 122.7 | 170.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 149 | L | 49.1 | Very low | 54 | Low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 71% | 0.708 | S | S | * | * | trans | -76.8 | 131.6 | -170 | -60.5 | 152.6 | 0 | 0 | 0 | 112.2 | ||||
| 150 | G | 45.4 | Very low | 55.4 | Low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | trans | 110.8 | 78.3 | 144 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 151 | D | 51.9 | Low | 56.9 | Low | 134 Ų | 134 | 116.3 Ų | 116.3 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | 169.9 | 113.2 | 123.6 | -106.6 | -21.1 | 0 | 0 | 0 | 108.8 | D153 | D151-D153 VanDerWaalsContact C-N 3.31Å; D151-D153 PolarHBondContact O-N 3.02Å | |||
| 152 | A | 58.5 | Low | 58.5 | Low | 93 Ų | 93 | 113.2 Ų | 113.2 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -2.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 153 | D | 61.6 | Low | 60 | Low | 149 Ų | 149 | 108.5 Ų | 108.5 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -11.5 | -171.6 | -70.8 | -32.7 | 0 | 0 | 0 | 114.2 | D151 | D151-D153 VanDerWaalsContact C-N 3.31Å; D151-D153 PolarHBondContact O-N 3.02Å |
| 154 | T | 58.9 | Low | 61.6 | Low | 90 Ų | 90 | 105.1 Ų | 105.1 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -24.1 | -178 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 155 | E | 58.2 | Low | 63.3 | Low | 137 Ų | 137 | 101.9 Ų | 101.9 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71 | -35.4 | -178.1 | -58.7 | -75.9 | 130.3 | 0 | 0 | 111.9 | V157 V158 S159 | E155-V157 PolarHBondContact O-N 3.45Å; E155-V158 PolarHBondContact O-N 3.43Å; E155-S159 PolarHBondContact O-N 3.01Å; E155-S159 VanDerWaalsContact O-N 3.11Å; E155-S159 PolarHBondContact O-OG 3.14Å |
| 156 | S | 62.4 | Low | 65.1 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 48% | 0.483 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.4 | -38 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 113.2 | D160 | S156-D160 WeakPolarHBondContact O-CB 3.45Å; S156-D160 VanDerWaalsContact O-CG 3.24Å; S156-D160 PolarHBondContact O-N 3.43Å; S156-D160 VanDerWaalsContact O-N 3.15Å |
| 157 | V | 63.9 | Low | 67 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.5 | -35 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | E155 I161 | E155-V157 PolarHBondContact O-N 3.45Å; V157-I161 HydrophobicContact CG1-CD1 3.95Å; V157-I161 WeakPolarHBondContact O-CD1 3.45Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 3.5Å; V157-I161 VanDerWaalsContact O-N 3.14Å |
| 158 | V | 68.2 | Low | 68.9 | Low | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.1 | -44.6 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | E155 D160 I161 I162 | E155-V158 PolarHBondContact O-N 3.43Å; V158-D160 PolarHBondContact O-N 3.3Å; V158-I161 PolarHBondContact O-N 2.99Å; V158-I162 HydrophobicContact CG1-CD1 3.83Å; V158-I162 HydrophobicContact CG1-CG1 4.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.26Å; V158-I162 PolarHBondContact O-N 3.45Å |
| 159 | S | 73.5 | Confident | 70.6 | Confident | 64 Ų | 64 | 99.4 Ų | 99.4 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -39.4 | 176 | -60.1 | 0 | 0 | 0 | 0 | 113 | E155 I162 S163 | E155-S159 PolarHBondContact O-N 3.01Å; E155-S159 VanDerWaalsContact O-N 3.11Å; E155-S159 PolarHBondContact O-OG 3.14Å; S159-I162 PolarHBondContact O-N 3.11Å; S159-S163 VanDerWaalsContact O-CB 3.3Å; S159-S163 WeakPolarHBondContact O-CB 3.39Å; S159-S163 PolarHBondContact O-N 3.26Å; S159-S163 PolarHBondContact O-OG 3.25Å |
| 160 | D | 75.8 | Confident | 72.6 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.3 | -40 | 177 | -74.4 | -23.1 | 0 | 0 | 0 | 112 | S156 V158 S164 | S156-D160 WeakPolarHBondContact O-CB 3.45Å; S156-D160 VanDerWaalsContact O-CG 3.24Å; S156-D160 PolarHBondContact O-N 3.43Å; S156-D160 VanDerWaalsContact O-N 3.15Å; V158-D160 PolarHBondContact O-N 3.3Å; D160-S164 WeakPolarHBondContact O-CB 3.29Å; D160-S164 PolarHBondContact O-N 3.15Å |
| 161 | I | 77 | Confident | 74.7 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.2 | -68.3 | 165.5 | 0 | 0 | 0 | 110.5 | V157 V158 S163 S164 V165 | V157-I161 HydrophobicContact CG1-CD1 3.95Å; V157-I161 WeakPolarHBondContact O-CD1 3.45Å; V157-I161 WeakPolarHBondContact O-CG1 3.39Å; V157-I161 PolarHBondContact O-N 3.5Å; V157-I161 VanDerWaalsContact O-N 3.14Å; V158-I161 PolarHBondContact O-N 2.99Å; I161-S163 VanDerWaalsContact C-N 3.35Å; I161-S163 PolarHBondContact O-N 3Å; I161-S164 PolarHBondContact O-N 3.29Å; I161-V165 WeakPolarHBondContact O-CG2 3.45Å; I161-V165 PolarHBondContact O-N 3.48Å |
| 162 | I | 81.8 | Confident | 76.6 | Confident | 91 Ų | 91 | 93.7 Ų | 93.7 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.3 | -66.5 | 167.8 | 0 | 0 | 0 | 110 | V158 S159 S164 V165 L166 | V158-I162 HydrophobicContact CG1-CD1 3.83Å; V158-I162 HydrophobicContact CG1-CG1 4.48Å; V158-I162 WeakPolarHBondContact O-CG1 3.26Å; V158-I162 PolarHBondContact O-N 3.45Å; S159-I162 PolarHBondContact O-N 3.11Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.63Å; I162-V165 PolarHBondContact O-N 2.99Å; I162-V165 VanDerWaalsContact O-N 3.15Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.33Å; I162-L166 PolarHBondContact O-N 3.29Å |
| 163 | S | 81.4 | Confident | 78.2 | Confident | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 178.3 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | S159 I161 Q167 | S159-S163 VanDerWaalsContact O-CB 3.3Å; S159-S163 WeakPolarHBondContact O-CB 3.39Å; S159-S163 PolarHBondContact O-N 3.26Å; S159-S163 PolarHBondContact O-OG 3.25Å; I161-S163 VanDerWaalsContact C-N 3.35Å; I161-S163 PolarHBondContact O-N 3Å; S163-Q167 WeakPolarHBondContact O-CB 3.17Å; S163-Q167 PolarHBondContact O-N 2.93Å |
| 164 | S | 82 | Confident | 79.6 | Confident | 76 Ų | 76 | 93.5 Ų | 93.5 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | D160 I161 I162 Q168 | D160-S164 WeakPolarHBondContact O-CB 3.29Å; D160-S164 PolarHBondContact O-N 3.15Å; I161-S164 PolarHBondContact O-N 3.29Å; I162-S164 VanDerWaalsContact C-N 3.33Å; I162-S164 PolarHBondContact O-N 2.63Å; S164-Q168 WeakPolarHBondContact O-CB 3.31Å; S164-Q168 PolarHBondContact O-N 2.64Å |
| 165 | V | 85 | Confident | 81.2 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 178.5 | 172 | 0 | 0 | 0 | 0 | 110.7 | I161 I162 Q167 Q168 E169 | I161-V165 WeakPolarHBondContact O-CG2 3.45Å; I161-V165 PolarHBondContact O-N 3.48Å; I162-V165 PolarHBondContact O-N 2.99Å; I162-V165 VanDerWaalsContact O-N 3.15Å; V165-Q167 VanDerWaalsContact C-N 3.34Å; V165-Q167 PolarHBondContact O-N 2.95Å; V165-Q168 PolarHBondContact O-N 2.91Å; V165-E169 PolarHBondContact O-N 3.31Å |
| 166 | L | 85.4 | Confident | 82.7 | Confident | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 177 | -67.9 | 175.8 | 0 | 0 | 0 | 112.1 | I162 E169 K170 | I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.22Å; I162-L166 WeakPolarHBondContact O-CG 3.33Å; I162-L166 PolarHBondContact O-N 3.29Å; L166-E169 PolarHBondContact O-N 3Å; L166-K170 WeakPolarHBondContact O-CB 3.46Å; L166-K170 PolarHBondContact O-N 2.97Å |
| 167 | Q | 87.4 | Confident | 84.1 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.8 | -178.5 | 61.8 | 27.3 | 0 | 0 | 111.7 | S163 V165 K170 E171 | S163-Q167 WeakPolarHBondContact O-CB 3.17Å; S163-Q167 PolarHBondContact O-N 2.93Å; V165-Q167 VanDerWaalsContact C-N 3.34Å; V165-Q167 PolarHBondContact O-N 2.95Å; Q167-K170 PolarHBondContact O-N 3.41Å; Q167-E171 PolarHBondContact NE2-OE1 2.71Å; Q167-E171 WeakPolarHBondContact O-CG 3.2Å; Q167-E171 PolarHBondContact O-N 2.9Å |
| 168 | Q | 86.9 | Confident | 85.4 | Confident | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 175.3 | -174.8 | 178.7 | 1.9 | 0 | 0 | 111.5 | S164 V165 E171 A172 | S164-Q168 WeakPolarHBondContact O-CB 3.31Å; S164-Q168 PolarHBondContact O-N 2.64Å; V165-Q168 PolarHBondContact O-N 2.91Å; Q168-E171 PolarHBondContact O-N 2.89Å; Q168-A172 WeakPolarHBondContact O-CB 3.49Å; Q168-A172 PolarHBondContact O-N 2.91Å |
| 169 | E | 89.3 | Confident | 86.6 | Confident | 85 Ų | 85 | 100.7 Ų | 100.7 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.6 | -170.7 | -176.7 | 155.8 | 0 | 0 | 111.6 | V165 L166 E171 A172 R173 | V165-E169 PolarHBondContact O-N 3.31Å; L166-E169 PolarHBondContact O-N 3Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.15Å; E169-A172 PolarHBondContact O-N 2.9Å; E169-R173 VanDerWaalsContact O-CG 3.3Å; E169-R173 WeakPolarHBondContact O-CG 3.34Å; E169-R173 PolarHBondContact O-N 3.43Å; E169-R173 IonicContact OE1-CZ 3.3Å; E169-R173 VanDerWaalsContact OE1-CZ 3.28Å; E169-R173 IonicContact OE1-NE 2.74Å; E169-R173 PolarHBondContact OE1-NE 3.41Å; E169-R173 IonicContact OE1-NH2 3.45Å; E169-R173 PolarHBondContact OE1-NH2 3.33Å |
| 170 | K | 89.9 | Confident | 87.5 | Confident | 120 Ų | 120 | 100.1 Ų | 100.1 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.7 | -172.9 | 172.5 | -171.2 | 165 | 0 | 112.5 | L166 Q167 K174 | L166-K170 WeakPolarHBondContact O-CB 3.46Å; L166-K170 PolarHBondContact O-N 2.97Å; Q167-K170 PolarHBondContact O-N 3.41Å; K170-K174 VanDerWaalsContact O-CG 3.3Å; K170-K174 WeakPolarHBondContact O-CG 3.34Å; K170-K174 PolarHBondContact O-N 3.41Å; K170-K174 VanDerWaalsContact O-N 3.13Å |
| 171 | E | 90.4 | Very high | 88.3 | Confident | 101 Ų | 101 | 100.6 Ų | 100.6 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.2 | -40 | 175 | -75.2 | 177.3 | -165.3 | 0 | 0 | 112.2 | Q167 Q168 E169 K174 I175 | Q167-E171 PolarHBondContact NE2-OE1 2.71Å; Q167-E171 WeakPolarHBondContact O-CG 3.2Å; Q167-E171 PolarHBondContact O-N 2.9Å; Q168-E171 PolarHBondContact O-N 2.89Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.15Å; E171-K174 PolarHBondContact O-N 3.47Å; E171-I175 WeakPolarHBondContact O-CG1 3.49Å; E171-I175 PolarHBondContact O-N 3.44Å; E171-I175 VanDerWaalsContact O-N 3.09Å |
| 172 | A | 91.1 | Very high | 89.1 | Confident | 43 Ų | 43 | 98.6 Ų | 98.6 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q168 E169 K174 I175 E176 | Q168-A172 WeakPolarHBondContact O-CB 3.49Å; Q168-A172 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 2.9Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 2.9Å; A172-I175 WeakPolarHBondContact O-CB 3.32Å; A172-I175 PolarHBondContact O-N 2.89Å; A172-E176 WeakPolarHBondContact O-CG 3.39Å; A172-E176 PolarHBondContact O-N 3.22Å |
| 173 | R | 91.4 | Very high | 89.6 | Confident | 143 Ų | 143 | 98.7 Ų | 98.7 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 175.6 | -71.2 | 172.2 | -177.9 | -81 | 4 | 112 | E169 I175 E176 D177 | E169-R173 VanDerWaalsContact O-CG 3.3Å; E169-R173 WeakPolarHBondContact O-CG 3.34Å; E169-R173 PolarHBondContact O-N 3.43Å; E169-R173 IonicContact OE1-CZ 3.3Å; E169-R173 VanDerWaalsContact OE1-CZ 3.28Å; E169-R173 IonicContact OE1-NE 2.74Å; E169-R173 PolarHBondContact OE1-NE 3.41Å; E169-R173 IonicContact OE1-NH2 3.45Å; E169-R173 PolarHBondContact OE1-NH2 3.33Å; R173-I175 VanDerWaalsContact C-N 3.3Å; R173-I175 PolarHBondContact O-N 3.03Å; R173-E176 WeakPolarHBondContact O-CB 3.4Å; R173-E176 PolarHBondContact O-N 3.39Å; R173-E176 VanDerWaalsContact O-N 3.15Å; R173-D177 PolarHBondContact O-N 2.97Å |
| 174 | K | 91.5 | Very high | 90.1 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 176.1 | -74.4 | 171.4 | -178.9 | 176 | 0 | 113.6 | K170 E171 A172 R178 | K170-K174 VanDerWaalsContact O-CG 3.3Å; K170-K174 WeakPolarHBondContact O-CG 3.34Å; K170-K174 PolarHBondContact O-N 3.41Å; K170-K174 VanDerWaalsContact O-N 3.13Å; E171-K174 PolarHBondContact O-N 3.47Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 2.9Å; K174-R178 VanDerWaalsContact O-CG 3.25Å; K174-R178 WeakPolarHBondContact O-CG 3.43Å; K174-R178 PolarHBondContact O-N 3.27Å; K174-R178 VanDerWaalsContact O-N 3.14Å |
| 175 | I | 92.2 | Very high | 90.6 | Very high | 87 Ų | 87 | 96.6 Ų | 96.6 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 176.9 | -68.6 | 165 | 0 | 0 | 0 | 109.9 | E171 A172 R173 R178 K179 | E171-I175 WeakPolarHBondContact O-CG1 3.49Å; E171-I175 PolarHBondContact O-N 3.44Å; E171-I175 VanDerWaalsContact O-N 3.09Å; A172-I175 WeakPolarHBondContact O-CB 3.32Å; A172-I175 PolarHBondContact O-N 2.89Å; R173-I175 VanDerWaalsContact C-N 3.3Å; R173-I175 PolarHBondContact O-N 3.03Å; I175-R178 PolarHBondContact O-N 3.24Å; I175-K179 HydrophobicContact CG2-CD 4.46Å; I175-K179 WeakPolarHBondContact O-CG 3.29Å; I175-K179 PolarHBondContact O-N 3.32Å; I175-K179 VanDerWaalsContact O-N 3.1Å |
| 176 | E | 90.9 | Very high | 91 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 175.7 | -69.8 | 172.1 | -175.6 | 0 | 0 | 111.6 | A172 R173 R178 K179 L180 | A172-E176 WeakPolarHBondContact O-CG 3.39Å; A172-E176 PolarHBondContact O-N 3.22Å; R173-E176 WeakPolarHBondContact O-CB 3.4Å; R173-E176 PolarHBondContact O-N 3.39Å; R173-E176 VanDerWaalsContact O-N 3.15Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 2.95Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.44Å; E176-K179 VanDerWaalsContact O-N 3.08Å; E176-L180 WeakPolarHBondContact O-CB 3.45Å; E176-L180 PolarHBondContact O-N 3.47Å |
| 177 | D | 90.7 | Very high | 91.4 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 176.5 | -67.2 | -24.7 | 0 | 0 | 0 | 111.8 | R173 K179 L180 L181 | R173-D177 PolarHBondContact O-N 2.97Å; D177-K179 PolarHBondContact O-N 3.28Å; D177-L180 PolarHBondContact O-N 3.41Å; D177-L181 WeakPolarHBondContact O-CB 3.3Å; D177-L181 VanDerWaalsContact O-CG 3.25Å; D177-L181 WeakPolarHBondContact O-CG 3.45Å; D177-L181 PolarHBondContact O-N 3.26Å |
| 178 | R | 92.5 | Very high | 91.8 | Very high | 177 Ų | 177 | 98.3 Ų | 98.3 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 175.7 | -75.7 | 172.5 | -178.4 | 168 | 1.4 | 112.2 | K174 I175 E176 A182 | K174-R178 VanDerWaalsContact O-CG 3.25Å; K174-R178 WeakPolarHBondContact O-CG 3.43Å; K174-R178 PolarHBondContact O-N 3.27Å; K174-R178 VanDerWaalsContact O-N 3.14Å; I175-R178 PolarHBondContact O-N 3.24Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 2.95Å; R178-A182 WeakPolarHBondContact O-CB 3.46Å; R178-A182 PolarHBondContact O-N 2.71Å |
| 179 | K | 93.1 | Very high | 92.2 | Very high | 144 Ų | 144 | 99.1 Ų | 99.1 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 176.1 | -71.1 | 173.2 | 179.3 | 177.8 | 0 | 110.8 | I175 E176 D177 A182 L183 | I175-K179 HydrophobicContact CG2-CD 4.46Å; I175-K179 WeakPolarHBondContact O-CG 3.29Å; I175-K179 PolarHBondContact O-N 3.32Å; I175-K179 VanDerWaalsContact O-N 3.1Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.44Å; E176-K179 VanDerWaalsContact O-N 3.08Å; D177-K179 PolarHBondContact O-N 3.28Å; K179-A182 PolarHBondContact O-N 2.97Å; K179-L183 PolarHBondContact O-N 3.25Å |
| 180 | L | 92 | Very high | 92.5 | Very high | 51 Ų | 51 | 101.1 Ų | 101.1 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 176.6 | 176.8 | 60.5 | 0 | 0 | 0 | 110.8 | E176 D177 A182 L183 L184 F195 | E176-L180 WeakPolarHBondContact O-CB 3.45Å; E176-L180 PolarHBondContact O-N 3.47Å; D177-L180 PolarHBondContact O-N 3.41Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.91Å; L180-L183 WeakPolarHBondContact O-CB 3.31Å; L180-L183 PolarHBondContact O-N 3.45Å; L180-L183 VanDerWaalsContact O-N 3.08Å; L180-L184 HydrophobicContact CD1-CD1 4.16Å; L180-L184 HydrophobicContact CD1-CD2 4.33Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CG-CD1 3.97Å; L180-L184 HydrophobicContact CG-CG 4.24Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.02Å; L180-F195 HydrophobicContact CD1-CE1 3.97Å; L180-F195 HydrophobicContact CD1-CE2 4.07Å; L180-F195 HydrophobicContact CD1-CZ 3.44Å; L180-F195 VanDerWaalsContact CD1-CZ 3.44Å; L180-F195 HydrophobicContact CD2-CZ 4.24Å; L180-F195 HydrophobicContact CG-CZ 4.44Å |
| 181 | L | 92.9 | Very high | 92.8 | Very high | 116 Ų | 116 | 98.6 Ų | 98.6 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -40.2 | 177.6 | -73.9 | 171.2 | 0 | 0 | 0 | 112.6 | D177 L183 L184 A185 | D177-L181 WeakPolarHBondContact O-CB 3.3Å; D177-L181 VanDerWaalsContact O-CG 3.25Å; D177-L181 WeakPolarHBondContact O-CG 3.45Å; D177-L181 PolarHBondContact O-N 3.26Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 2.91Å; L181-L184 PolarHBondContact O-N 3.03Å; L181-A185 PolarHBondContact O-N 2.96Å; L181-A185 VanDerWaalsContact O-N 3.07Å |
| 182 | A | 92.7 | Very high | 93 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R178 K179 L180 H186 | R178-A182 WeakPolarHBondContact O-CB 3.46Å; R178-A182 PolarHBondContact O-N 2.71Å; K179-A182 PolarHBondContact O-N 2.97Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.91Å; A182-H186 PolarHBondContact O-CD2 2.78Å; A182-H186 VanDerWaalsContact O-CD2 3.28Å |
| 183 | L | 92.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 176 | -175.4 | 65.1 | 0 | 0 | 0 | 111.5 | K179 L180 L181 A185 H186 F187 | K179-L183 PolarHBondContact O-N 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.31Å; L180-L183 PolarHBondContact O-N 3.45Å; L180-L183 VanDerWaalsContact O-N 3.08Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 2.91Å; L183-A185 PolarHBondContact O-N 3.15Å; L183-H186 PolarHBondContact O-N 3.37Å; L183-F187 HydrophobicContact CD1-CD1 4.49Å; L183-F187 HydrophobicContact CD1-CE1 3.68Å; L183-F187 HydrophobicContact CD1-CZ 4.29Å; L183-F187 HydrophobicContact CD2-CE1 4.02Å; L183-F187 HydrophobicContact CD2-CZ 3.76Å; L183-F187 HydrophobicContact CG-CD1 4.32Å; L183-F187 HydrophobicContact CG-CE1 3.46Å; L183-F187 VanDerWaalsContact CG-CE1 3.46Å; L183-F187 HydrophobicContact CG-CZ 3.64Å; L183-F187 WeakPolarHBondContact O-CD1 3.3Å; L183-F187 PolarHBondContact O-N 2.92Å |
| 184 | L | 93.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 98.6 Ų | 98.6 | 23% | 0.23 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.5 | -31.4 | 179 | -68.1 | 178.3 | 0 | 0 | 0 | 112.6 | L180 L181 H186 F187 L192 F195 | L180-L184 HydrophobicContact CD1-CD1 4.16Å; L180-L184 HydrophobicContact CD1-CD2 4.33Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CG-CD1 3.97Å; L180-L184 HydrophobicContact CG-CG 4.24Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.02Å; L181-L184 PolarHBondContact O-N 3.03Å; L184-H186 PolarHBondContact O-N 2.95Å; L184-F187 HydrophobicContact CD2-CD2 3.72Å; L184-F187 HydrophobicContact CD2-CE2 3.75Å; L184-F187 PolarHBondContact O-N 2.67Å; L184-L192 HydrophobicContact CD2-CD1 3.96Å; L184-F195 HydrophobicContact CD1-CE1 4.42Å; L184-F195 HydrophobicContact CD2-CD1 3.56Å; L184-F195 HydrophobicContact CD2-CE1 3.74Å; L184-F195 HydrophobicContact CD2-CG 4.24Å |
| 185 | A | 91.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L62 L181 L183 | L62-A185 HydrophobicContact CD1-CB 4.45Å; L181-A185 PolarHBondContact O-N 2.96Å; L181-A185 VanDerWaalsContact O-N 3.07Å; L183-A185 PolarHBondContact O-N 3.15Å |
| 186 | H | 93.6 | Very high | 93.7 | Very high | 164 Ų | 164 | 95.3 Ų | 95.3 | 76% | 0.759 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -0.9 | -179.3 | -72.2 | -64.4 | 0 | 0 | 0 | 114.1 | A182 L183 L184 | A182-H186 PolarHBondContact O-CD2 2.78Å; A182-H186 VanDerWaalsContact O-CD2 3.28Å; L183-H186 PolarHBondContact O-N 3.37Å; L184-H186 PolarHBondContact O-N 2.95Å |
| 187 | F | 93.5 | Very high | 94 | Very high | 56 Ų | 56 | 93.6 Ų | 93.6 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | trans | -71.1 | 143.4 | 176.8 | -78 | 0.7 | 0 | 0 | 0 | 111.9 | L183 L184 Q191 L192 F195 | L183-F187 HydrophobicContact CD1-CD1 4.49Å; L183-F187 HydrophobicContact CD1-CE1 3.68Å; L183-F187 HydrophobicContact CD1-CZ 4.29Å; L183-F187 HydrophobicContact CD2-CE1 4.02Å; L183-F187 HydrophobicContact CD2-CZ 3.76Å; L183-F187 HydrophobicContact CG-CD1 4.32Å; L183-F187 HydrophobicContact CG-CE1 3.46Å; L183-F187 VanDerWaalsContact CG-CE1 3.46Å; L183-F187 HydrophobicContact CG-CZ 3.64Å; L183-F187 WeakPolarHBondContact O-CD1 3.3Å; L183-F187 PolarHBondContact O-N 2.92Å; L184-F187 HydrophobicContact CD2-CD2 3.72Å; L184-F187 HydrophobicContact CD2-CE2 3.75Å; L184-F187 PolarHBondContact O-N 2.67Å; F187-Q191 HydrophobicContact CB-CB 3.97Å; F187-Q191 HydrophobicContact CD1-CB 4.39Å; F187-Q191 HydrophobicContact CD2-CB 4.14Å; F187-Q191 HydrophobicContact CG-CB 3.94Å; F187-L192 HydrophobicContact CB-CB 4.42Å; F187-F195 HydrophobicContact CD2-CB 4.37Å; F187-F195 HydrophobicContact CE2-CB 3.82Å; F187-F195 HydrophobicContact CE2-CD2 4.35Å; F187-F195 AromaticContact CE2-CG 3.98Å; F187-F195 HydrophobicContact CE2-CG 3.98Å | ||
| 188 | D | 95.8 | Very high | 94.2 | Very high | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 47% | 0.467 | S | S | . | . | trans | -72.4 | 168.5 | 159.2 | 65.3 | 39.5 | 0 | 0 | 0 | 110.6 | E190 Q191 L192 | D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.06Å; D188-E190 PolarHBondContact OD1-N 3.15Å; D188-Q191 VanDerWaalsContact N-OE1 3.07Å; D188-Q191 PolarHBondContact O-N 3.42Å; D188-Q191 WeakPolarHBondContact OD1-CB 3.43Å; D188-Q191 WeakPolarHBondContact OD1-CG 3.41Å; D188-Q191 PolarHBondContact OD1-N 3.36Å; D188-L192 WeakPolarHBondContact O-CB 3.31Å; D188-L192 PolarHBondContact O-N 2.96Å | ||
| 189 | E | 95.7 | Very high | 94.3 | Very high | 154 Ų | 154 | 92.8 Ų | 92.8 | 72% | 0.72 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.1 | -36.1 | -176.5 | -175 | 172.2 | -172.1 | 0 | 0 | 112.3 | L192 N193 | E189-L192 PolarHBondContact O-N 3.33Å; E189-N193 WeakPolarHBondContact O-CB 3.48Å; E189-N193 PolarHBondContact O-N 3Å |
| 190 | E | 94.9 | Very high | 94.5 | Very high | 127 Ų | 127 | 92.9 Ų | 92.9 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.6 | -42.3 | 179.7 | -158 | -164.2 | 156.8 | 0 | 0 | 111.5 | D188 N193 R194 | D188-E190 VanDerWaalsContact C-N 3.28Å; D188-E190 PolarHBondContact O-N 3.06Å; D188-E190 PolarHBondContact OD1-N 3.15Å; E190-N193 PolarHBondContact O-N 2.99Å; E190-R194 VanDerWaalsContact CG-NH1 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.33Å; E190-R194 PolarHBondContact O-N 2.91Å; E190-R194 IonicContact OE1-NH1 2.67Å; E190-R194 PolarHBondContact OE1-NH1 3.37Å; E190-R194 IonicContact OE2-NH1 3.28Å; E190-R194 PolarHBondContact OE2-NH1 3.15Å |
| 191 | Q | 95.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 92.8 Ų | 92.8 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 174.3 | -76.2 | 171 | -13.8 | 0 | 0 | 111.3 | F187 D188 R194 F195 | F187-Q191 HydrophobicContact CB-CB 3.97Å; F187-Q191 HydrophobicContact CD1-CB 4.39Å; F187-Q191 HydrophobicContact CD2-CB 4.14Å; F187-Q191 HydrophobicContact CG-CB 3.94Å; D188-Q191 VanDerWaalsContact N-OE1 3.07Å; D188-Q191 PolarHBondContact O-N 3.42Å; D188-Q191 WeakPolarHBondContact OD1-CB 3.43Å; D188-Q191 WeakPolarHBondContact OD1-CG 3.41Å; D188-Q191 PolarHBondContact OD1-N 3.36Å; Q191-R194 PolarHBondContact O-N 2.95Å; Q191-F195 WeakPolarHBondContact O-CB 3.3Å; Q191-F195 PolarHBondContact O-N 3.04Å |
| 192 | L | 94.9 | Very high | 94.8 | Very high | 62 Ų | 62 | 92.8 Ų | 92.8 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 176.8 | -176.8 | 63.3 | 0 | 0 | 0 | 110.8 | L184 F187 D188 E189 R194 F195 E196 | L184-L192 HydrophobicContact CD2-CD1 3.96Å; F187-L192 HydrophobicContact CB-CB 4.42Å; D188-L192 WeakPolarHBondContact O-CB 3.31Å; D188-L192 PolarHBondContact O-N 2.96Å; E189-L192 PolarHBondContact O-N 3.33Å; L192-R194 PolarHBondContact O-N 3.33Å; L192-F195 PolarHBondContact O-N 3.49Å; L192-E196 HydrophobicContact CD1-CG 4.42Å; L192-E196 WeakPolarHBondContact O-CB 3.44Å; L192-E196 WeakPolarHBondContact O-CG 3.43Å; L192-E196 PolarHBondContact O-N 3Å |
| 193 | N | 96.3 | Very high | 95 | Very high | 103 Ų | 103 | 93.7 Ų | 93.7 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | 177.6 | -176.8 | 32.6 | 0 | 0 | 0 | 112.5 | E189 E190 F195 E196 T197 | E189-N193 WeakPolarHBondContact O-CB 3.48Å; E189-N193 PolarHBondContact O-N 3Å; E190-N193 PolarHBondContact O-N 2.99Å; N193-F195 VanDerWaalsContact C-N 3.34Å; N193-F195 PolarHBondContact O-N 3.41Å; N193-E196 PolarHBondContact O-N 3.39Å; N193-T197 WeakPolarHBondContact O-CB 3.41Å; N193-T197 PolarHBondContact O-N 3.43Å; N193-T197 PolarHBondContact O-OG1 2.97Å |
| 194 | R | 95.6 | Very high | 95.2 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.5 | -71.7 | -168.9 | -55.4 | -101.9 | -2.9 | 112.1 | E190 Q191 L192 T197 F198 | E190-R194 VanDerWaalsContact CG-NH1 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.33Å; E190-R194 PolarHBondContact O-N 2.91Å; E190-R194 IonicContact OE1-NH1 2.67Å; E190-R194 PolarHBondContact OE1-NH1 3.37Å; E190-R194 IonicContact OE2-NH1 3.28Å; E190-R194 PolarHBondContact OE2-NH1 3.15Å; Q191-R194 PolarHBondContact O-N 2.95Å; L192-R194 PolarHBondContact O-N 3.33Å; R194-T197 PolarHBondContact O-N 2.95Å; R194-F198 WeakPolarHBondContact O-CB 3.49Å; R194-F198 PolarHBondContact O-N 2.99Å |
| 195 | F | 95 | Very high | 95.4 | Very high | 46 Ų | 46 | 96.8 Ų | 96.8 | 20% | 0.202 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 178.6 | 175.8 | -98.4 | 0 | 0 | 0 | 111.9 | L180 L184 F187 Q191 L192 N193 T197 F198 R199 | L180-F195 HydrophobicContact CD1-CE1 3.97Å; L180-F195 HydrophobicContact CD1-CE2 4.07Å; L180-F195 HydrophobicContact CD1-CZ 3.44Å; L180-F195 VanDerWaalsContact CD1-CZ 3.44Å; L180-F195 HydrophobicContact CD2-CZ 4.24Å; L180-F195 HydrophobicContact CG-CZ 4.44Å; L184-F195 HydrophobicContact CD1-CE1 4.42Å; L184-F195 HydrophobicContact CD2-CD1 3.56Å; L184-F195 HydrophobicContact CD2-CE1 3.74Å; L184-F195 HydrophobicContact CD2-CG 4.24Å; F187-F195 HydrophobicContact CD2-CB 4.37Å; F187-F195 HydrophobicContact CE2-CB 3.82Å; F187-F195 HydrophobicContact CE2-CD2 4.35Å; F187-F195 AromaticContact CE2-CG 3.98Å; F187-F195 HydrophobicContact CE2-CG 3.98Å; Q191-F195 WeakPolarHBondContact O-CB 3.3Å; Q191-F195 PolarHBondContact O-N 3.04Å; L192-F195 PolarHBondContact O-N 3.49Å; N193-F195 VanDerWaalsContact C-N 3.34Å; N193-F195 PolarHBondContact O-N 3.41Å; F195-T197 VanDerWaalsContact C-N 3.31Å; F195-T197 PolarHBondContact O-N 3.02Å; F195-F198 PolarHBondContact O-N 3.17Å; F195-R199 HydrophobicContact CE1-CB 4.48Å; F195-R199 WeakPolarHBondContact O-CB 3.4Å; F195-R199 PolarHBondContact O-N 3.45Å |
| 196 | E | 95.2 | Very high | 95.6 | Very high | 67 Ų | 67 | 97 Ų | 97 | 31% | 0.313 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176.9 | -80.6 | -164.7 | -154.3 | 0 | 0 | 112.2 | L192 N193 R199 R200 | L192-E196 HydrophobicContact CD1-CG 4.42Å; L192-E196 WeakPolarHBondContact O-CB 3.44Å; L192-E196 WeakPolarHBondContact O-CG 3.43Å; L192-E196 PolarHBondContact O-N 3Å; N193-E196 PolarHBondContact O-N 3.39Å; E196-R199 PolarHBondContact O-N 3.39Å; E196-R200 WeakPolarHBondContact O-CG 3.45Å; E196-R200 PolarHBondContact O-N 2.81Å; E196-R200 IonicContact OE2-CZ 3.77Å; E196-R200 IonicContact OE2-NH1 3.06Å; E196-R200 PolarHBondContact OE2-NH1 3.41Å; E196-R200 IonicContact OE2-NH2 3.85Å |
| 197 | T | 96.4 | Very high | 95.8 | Very high | 85 Ų | 85 | 92.8 Ų | 92.8 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 175 | -58 | 0 | 0 | 0 | 0 | 110.8 | N193 R194 F195 R199 R200 A201 | N193-T197 WeakPolarHBondContact O-CB 3.41Å; N193-T197 PolarHBondContact O-N 3.43Å; N193-T197 PolarHBondContact O-OG1 2.97Å; R194-T197 PolarHBondContact O-N 2.95Å; F195-T197 VanDerWaalsContact C-N 3.31Å; F195-T197 PolarHBondContact O-N 3.02Å; T197-R199 VanDerWaalsContact C-N 3.34Å; T197-R199 PolarHBondContact O-N 2.89Å; T197-R200 PolarHBondContact O-N 3.22Å; T197-A201 VanDerWaalsContact O-CB 3.3Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.1Å |
| 198 | F | 95.7 | Very high | 96 | Very high | 118 Ų | 118 | 91 Ų | 91 | 52% | 0.518 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.3 | 166.6 | -102.7 | 0 | 0 | 0 | 112.8 | R194 F195 A201 K233 | R194-F198 WeakPolarHBondContact O-CB 3.49Å; R194-F198 PolarHBondContact O-N 2.99Å; F195-F198 PolarHBondContact O-N 3.17Å; F198-A201 PolarHBondContact O-N 2.93Å; F198-K233 WeakPolarHBondContact O-CE 3.27Å; F198-K233 PolarHBondContact O-NZ 3.5Å |
| 199 | R | 94.4 | Very high | 96 | Very high | 131 Ų | 131 | 90.4 Ų | 90.4 | 49% | 0.494 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 179.9 | -171.7 | -179.6 | 68.3 | 153 | 2.5 | 110.8 | F195 E196 T197 K233 | F195-R199 HydrophobicContact CE1-CB 4.48Å; F195-R199 WeakPolarHBondContact O-CB 3.4Å; F195-R199 PolarHBondContact O-N 3.45Å; E196-R199 PolarHBondContact O-N 3.39Å; T197-R199 VanDerWaalsContact C-N 3.34Å; T197-R199 PolarHBondContact O-N 2.89Å; R199-K233 PolarHBondContact O-NZ 2.83Å |
| 200 | R | 95.9 | Very high | 96 | Very high | 146 Ų | 146 | 91.1 Ų | 91.1 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76.6 | -22.9 | -179.3 | -68.1 | -174.9 | 177.2 | 96.2 | -6 | 114.1 | E196 T197 T202 | E196-R200 WeakPolarHBondContact O-CG 3.45Å; E196-R200 PolarHBondContact O-N 2.81Å; E196-R200 IonicContact OE2-CZ 3.77Å; E196-R200 IonicContact OE2-NH1 3.06Å; E196-R200 PolarHBondContact OE2-NH1 3.41Å; E196-R200 IonicContact OE2-NH2 3.85Å; T197-R200 PolarHBondContact O-N 3.22Å; R200-T202 PolarHBondContact O-N 3.37Å; R200-T202 VanDerWaalsContact O-N 3.17Å |
| 201 | A | 96.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 90.3 Ų | 90.3 | 41% | 0.413 | 44% | 0.443 | S | S | . | . | trans | -58.3 | 121 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T197 F198 K233 | T197-A201 VanDerWaalsContact O-CB 3.3Å; T197-A201 WeakPolarHBondContact O-CB 3.34Å; T197-A201 PolarHBondContact O-N 3.1Å; F198-A201 PolarHBondContact O-N 2.93Å; A201-K233 WeakPolarHBondContact O-CE 3.29Å; A201-K233 PolarHBondContact O-NZ 3.08Å | ||
| 202 | T | 96.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 88.5 Ų | 88.5 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | trans | -139.3 | 158.9 | 177.2 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | R200 | R200-T202 PolarHBondContact O-N 3.37Å; R200-T202 VanDerWaalsContact O-N 3.17Å | ||
| 203 | F | 96.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 89.4 Ų | 89.4 | 34% | 0.342 | 44% | 0.438 | S | S | . | . | trans | -90.1 | 132.1 | 169.7 | -64.2 | -74.3 | 0 | 0 | 0 | 109.6 | K205 V208 A229 T232 K233 I236 | F203-K205 PolarHBondContact O-N 3.18Å; F203-V208 HydrophobicContact CB-CG2 3.55Å; F203-V208 HydrophobicContact CG-CG2 4.4Å; F203-A229 HydrophobicContact CB-CB 4.16Å; F203-A229 HydrophobicContact CD2-CB 4.35Å; F203-A229 WeakPolarHBondContact CD2-O 3.47Å; F203-T232 HydrophobicContact CD2-CG2 4.36Å; F203-T232 HydrophobicContact CE1-CG2 4.46Å; F203-T232 HydrophobicContact CE2-CG2 3.76Å; F203-T232 HydrophobicContact CZ-CG2 3.86Å; F203-K233 HydrophobicContact CE2-CB 4.02Å; F203-I236 HydrophobicContact CE1-CD1 4.2Å; F203-I236 HydrophobicContact CE2-CD1 4.34Å; F203-I236 HydrophobicContact CZ-CD1 3.47Å; F203-I236 VanDerWaalsContact CZ-CD1 3.47Å | ||
| 204 | T | 97.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 88.8 Ų | 88.8 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | -62.4 | 122.2 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | A206 V207 V208 | T204-A206 PolarHBondContact O-N 3.31Å; T204-A206 VanDerWaalsContact O-N 3.12Å; T204-V207 PolarHBondContact O-N 2.93Å; T204-V207 VanDerWaalsContact O-N 3.08Å; T204-V207 WeakPolarHBondContact OG1-CB 3.34Å; T204-V207 WeakPolarHBondContact OG1-CG2 3.49Å; T204-V208 PolarHBondContact O-N 3.08Å | ||
| 205 | K | 96.1 | Very high | 96.4 | Very high | 111 Ų | 111 | 89.6 Ų | 89.6 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.5 | -35.6 | -173.9 | -65.5 | 173.2 | -176.6 | 166.5 | 0 | 112 | F203 R209 V225 | F203-K205 PolarHBondContact O-N 3.18Å; K205-R209 VanDerWaalsContact O-CB 3.25Å; K205-R209 WeakPolarHBondContact O-CB 3.32Å; K205-R209 PolarHBondContact O-N 3.25Å; K205-V225 HydrophobicContact CB-CG1 4.06Å; K205-V225 HydrophobicContact CG-CG1 4.45Å; K205-V225 WeakPolarHBondContact O-CG1 3.48Å |
| 206 | A | 96.7 | Very high | 96.3 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T204 R210 | T204-A206 PolarHBondContact O-N 3.31Å; T204-A206 VanDerWaalsContact O-N 3.12Å; A206-R210 WeakPolarHBondContact O-CB 3.38Å; A206-R210 PolarHBondContact O-N 3.43Å |
| 207 | V | 97 | Very high | 96.2 | Very high | 77 Ų | 77 | 92.5 Ų | 92.5 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | T204 R209 R210 L211 | T204-V207 PolarHBondContact O-N 2.93Å; T204-V207 VanDerWaalsContact O-N 3.08Å; T204-V207 WeakPolarHBondContact OG1-CB 3.34Å; T204-V207 WeakPolarHBondContact OG1-CG2 3.49Å; V207-R209 VanDerWaalsContact C-N 3.34Å; V207-R209 PolarHBondContact O-N 2.93Å; V207-R210 PolarHBondContact O-N 3.33Å; V207-L211 PolarHBondContact O-N 2.95Å |
| 208 | V | 97.3 | Very high | 96 | Very high | 17 Ų | 17 | 91.9 Ų | 91.9 | 10% | 0.103 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | F203 T204 R210 L211 I212 V225 M228 A229 | F203-V208 HydrophobicContact CB-CG2 3.55Å; F203-V208 HydrophobicContact CG-CG2 4.4Å; T204-V208 PolarHBondContact O-N 3.08Å; V208-R210 PolarHBondContact O-N 3.12Å; V208-L211 PolarHBondContact O-N 2.9Å; V208-I212 HydrophobicContact CG1-CD1 3.92Å; V208-I212 HydrophobicContact CG1-CG1 4.47Å; V208-I212 VanDerWaalsContact O-CG1 3.31Å; V208-I212 WeakPolarHBondContact O-CG1 3.49Å; V208-I212 PolarHBondContact O-N 2.91Å; V208-V225 HydrophobicContact CB-CG1 4.02Å; V208-V225 HydrophobicContact CG1-CG1 3.97Å; V208-M228 HydrophobicContact CG1-CB 4.21Å; V208-M228 HydrophobicContact CG1-CG 4.19Å; V208-A229 HydrophobicContact CG2-CB 4.37Å |
| 209 | R | 97 | Very high | 95.9 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 176.2 | -178.2 | -178.4 | -58.1 | -72.9 | 3.7 | 112 | K205 V207 L211 I212 Q213 V220 V225 | K205-R209 VanDerWaalsContact O-CB 3.25Å; K205-R209 WeakPolarHBondContact O-CB 3.32Å; K205-R209 PolarHBondContact O-N 3.25Å; V207-R209 VanDerWaalsContact C-N 3.34Å; V207-R209 PolarHBondContact O-N 2.93Å; R209-L211 VanDerWaalsContact C-N 3.3Å; R209-L211 PolarHBondContact O-N 3.35Å; R209-I212 PolarHBondContact O-N 3.4Å; R209-Q213 WeakPolarHBondContact O-CB 3.48Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.11Å; R209-V220 PolarHBondContact NH1-O 3.37Å; R209-V225 HydrophobicContact CB-CG2 4.06Å; R209-V225 HydrophobicContact CG-CG2 4.42Å |
| 210 | R | 96.5 | Very high | 96 | Very high | 169 Ų | 169 | 86.4 Ų | 86.4 | 64% | 0.638 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 178.6 | -170.3 | -173.6 | -60.8 | 141.4 | 0 | 111.6 | A206 V207 V208 Q213 S214 | A206-R210 WeakPolarHBondContact O-CB 3.38Å; A206-R210 PolarHBondContact O-N 3.43Å; V207-R210 PolarHBondContact O-N 3.33Å; V208-R210 PolarHBondContact O-N 3.12Å; R210-Q213 PolarHBondContact O-N 3.25Å; R210-S214 PolarHBondContact O-N 3.29Å |
| 211 | L | 97 | Very high | 96 | Very high | 109 Ų | 109 | 82.6 Ų | 82.6 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 177.4 | -178.4 | 63.2 | 0 | 0 | 0 | 112.6 | V207 V208 R209 Q213 S214 | V207-L211 PolarHBondContact O-N 2.95Å; V208-L211 PolarHBondContact O-N 2.9Å; R209-L211 VanDerWaalsContact C-N 3.3Å; R209-L211 PolarHBondContact O-N 3.35Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 2.9Å; L211-S214 PolarHBondContact O-N 3.4Å; L211-S214 PolarHBondContact O-OG 2.91Å |
| 212 | I | 97.3 | Very high | 96 | Very high | 30 Ų | 30 | 85 Ų | 85 | 15% | 0.154 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.1 | -62.6 | 164.3 | 0 | 0 | 0 | 109.8 | V208 R209 S214 I215 A216 V220 V225 M228 | V208-I212 HydrophobicContact CG1-CD1 3.92Å; V208-I212 HydrophobicContact CG1-CG1 4.47Å; V208-I212 VanDerWaalsContact O-CG1 3.31Å; V208-I212 WeakPolarHBondContact O-CG1 3.49Å; V208-I212 PolarHBondContact O-N 2.91Å; R209-I212 PolarHBondContact O-N 3.4Å; I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 2.94Å; I212-I215 PolarHBondContact O-N 3.48Å; I212-A216 PolarHBondContact O-N 3.28Å; I212-V220 HydrophobicContact CB-CG2 4.3Å; I212-V220 HydrophobicContact CD1-CG1 4.25Å; I212-V220 HydrophobicContact CG2-CG1 4.26Å; I212-V220 HydrophobicContact CG2-CG2 3.57Å; I212-V225 HydrophobicContact CD1-CG2 4.35Å; I212-M228 HydrophobicContact CD1-CB 4.08Å; I212-M228 HydrophobicContact CD1-CG 4.1Å; I212-M228 HydrophobicContact CG1-CG 4.43Å |
| 213 | Q | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 85.4 Ų | 85.4 | 38% | 0.379 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -24.7 | -178.5 | -72.5 | 177.8 | -28.1 | 0 | 0 | 114.1 | R209 R210 L211 I215 A216 V220 | R209-Q213 WeakPolarHBondContact O-CB 3.48Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.11Å; R210-Q213 PolarHBondContact O-N 3.25Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 2.9Å; Q213-I215 VanDerWaalsContact C-N 3.3Å; Q213-A216 CarbonylContact C-O 3.6Å; Q213-A216 WeakPolarHBondContact CA-O 3.45Å; Q213-A216 CarbonylContact O-C 3.51Å; Q213-V220 HydrophobicContact CG-CG2 4.11Å |
| 214 | S | 96.7 | Very high | 96.1 | Very high | 91 Ų | 91 | 85 Ų | 85 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.4 | -24.8 | 174.6 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | R210 L211 I212 | R210-S214 PolarHBondContact O-N 3.29Å; L211-S214 PolarHBondContact O-N 3.4Å; L211-S214 PolarHBondContact O-OG 2.91Å; I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 2.94Å |
| 215 | I | 96.5 | Very high | 96.1 | Very high | 138 Ų | 138 | 80.7 Ų | 80.7 | 71% | 0.708 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -93.5 | -43.5 | 177.9 | -59.1 | 169.2 | 0 | 0 | 0 | 110.7 | I212 Q213 | I212-I215 PolarHBondContact O-N 3.48Å; Q213-I215 VanDerWaalsContact C-N 3.3Å |
| 216 | A | 94 | Very high | 96.2 | Very high | 38 Ų | 38 | 79.3 Ų | 79.3 | 31% | 0.314 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -119.7 | 109 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I212 Q213 C218 | I212-A216 PolarHBondContact O-N 3.28Å; Q213-A216 CarbonylContact C-O 3.6Å; Q213-A216 WeakPolarHBondContact CA-O 3.45Å; Q213-A216 CarbonylContact O-C 3.51Å; A216-C218 PolarHBondContact O-N 3.46Å |
| 217 | P | 91.6 | Very high | 96.3 | Very high | 137 Ų | 137 | 79.3 Ų | 79.3 | 89% | 0.89 | 45% | 0.451 | S | S | * | . | trans | -76.9 | 57.8 | -177.3 | 32.9 | -36.6 | 0 | 0 | 0 | 111.7 | ||||
| 218 | C | 93.2 | Very high | 96.3 | Very high | 72 Ų | 72 | 79.4 Ų | 79.4 | 49% | 0.486 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -127.7 | 160.9 | 176 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | A216 | A216-C218 PolarHBondContact O-N 3.46Š|
| 219 | S | 94.2 | Very high | 96.3 | Very high | 115 Ų | 115 | 79.3 Ų | 79.3 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | trans | -70.7 | 138.5 | 168.6 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 220 | V | 94.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 77.9 Ų | 77.9 | 12% | 0.115 | 46% | 0.455 | C | S | . | . | trans | -118.2 | 130.6 | -175.3 | -176 | 0 | 0 | 0 | 0 | 108.3 | R209 I212 Q213 V224 V225 | R209-V220 PolarHBondContact NH1-O 3.37Å; I212-V220 HydrophobicContact CB-CG2 4.3Å; I212-V220 HydrophobicContact CD1-CG1 4.25Å; I212-V220 HydrophobicContact CG2-CG1 4.26Å; I212-V220 HydrophobicContact CG2-CG2 3.57Å; Q213-V220 HydrophobicContact CG-CG2 4.11Å; V220-V224 HydrophobicContact CG1-CB 3.71Å; V220-V224 HydrophobicContact CG1-CG1 3.54Å; V220-V225 HydrophobicContact CG1-CG2 3.96Å | ||
| 221 | S | 96.4 | Very high | 96.4 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | trans | -70.7 | 156.4 | 176.6 | 67 | 0 | 0 | 0 | 0 | 111.6 | N223 V224 V225 | S221-N223 VanDerWaalsContact C-N 3.29Å; S221-N223 PolarHBondContact O-N 2.94Å; S221-V224 PolarHBondContact O-N 3.48Å; S221-V224 VanDerWaalsContact OG-CG2 3.31Å; S221-V224 WeakPolarHBondContact OG-CG2 3.38Å; S221-V225 PolarHBondContact O-N 3.17Å | ||
| 222 | Q | 96.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 72.4 Ų | 72.4 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 177.6 | 177.8 | 158.3 | -19.7 | 0 | 0 | 112.4 | V224 V225 I226 | Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.5Å; Q222-V225 WeakPolarHBondContact O-CA 3.32Å; Q222-V225 WeakPolarHBondContact O-CB 3.25Å; Q222-V225 PolarHBondContact O-N 3.4Å; Q222-I226 HydrophobicContact CG-CD1 3.86Å; Q222-I226 HydrophobicContact CG-CG1 4.31Å; Q222-I226 WeakPolarHBondContact O-CG1 3.14Å; Q222-I226 PolarHBondContact O-N 3.02Å |
| 223 | N | 97.5 | Very high | 96.4 | Very high | 122 Ų | 122 | 73.8 Ų | 73.8 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.9 | -38.1 | 177.7 | -63.1 | -3 | 0 | 0 | 0 | 112 | S221 I226 A227 | S221-N223 VanDerWaalsContact C-N 3.29Å; S221-N223 PolarHBondContact O-N 2.94Å; N223-I226 PolarHBondContact O-N 3Å; N223-A227 VanDerWaalsContact O-CB 3.29Å; N223-A227 WeakPolarHBondContact O-CB 3.49Å; N223-A227 PolarHBondContact O-N 2.94Å |
| 224 | V | 97.1 | Very high | 96.4 | Very high | 69 Ų | 69 | 74 Ų | 74 | 42% | 0.418 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V220 S221 Q222 A227 M228 | V220-V224 HydrophobicContact CG1-CB 3.71Å; V220-V224 HydrophobicContact CG1-CG1 3.54Å; S221-V224 PolarHBondContact O-N 3.48Å; S221-V224 VanDerWaalsContact OG-CG2 3.31Å; S221-V224 WeakPolarHBondContact OG-CG2 3.38Å; Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.5Å; V224-A227 PolarHBondContact O-N 3.29Å; V224-M228 VanDerWaalsContact O-CB 3.3Å; V224-M228 WeakPolarHBondContact O-CB 3.3Å; V224-M228 PolarHBondContact O-N 2.89Å |
| 225 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | K205 V208 R209 I212 V220 S221 Q222 M228 A229 | K205-V225 HydrophobicContact CB-CG1 4.06Å; K205-V225 HydrophobicContact CG-CG1 4.45Å; K205-V225 WeakPolarHBondContact O-CG1 3.48Å; V208-V225 HydrophobicContact CB-CG1 4.02Å; V208-V225 HydrophobicContact CG1-CG1 3.97Å; R209-V225 HydrophobicContact CB-CG2 4.06Å; R209-V225 HydrophobicContact CG-CG2 4.42Å; I212-V225 HydrophobicContact CD1-CG2 4.35Å; V220-V225 HydrophobicContact CG1-CG2 3.96Å; S221-V225 PolarHBondContact O-N 3.17Å; Q222-V225 WeakPolarHBondContact O-CA 3.32Å; Q222-V225 WeakPolarHBondContact O-CB 3.25Å; Q222-V225 PolarHBondContact O-N 3.4Å; V225-M228 PolarHBondContact O-N 3.43Å; V225-A229 WeakPolarHBondContact O-CB 3.29Å; V225-A229 PolarHBondContact O-N 3Å |
| 226 | I | 97.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 69.6 Ų | 69.6 | 43% | 0.426 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 177.3 | -66.5 | 168.7 | 0 | 0 | 0 | 110.5 | Q222 N223 M228 A229 G230 | Q222-I226 HydrophobicContact CG-CD1 3.86Å; Q222-I226 HydrophobicContact CG-CG1 4.31Å; Q222-I226 WeakPolarHBondContact O-CG1 3.14Å; Q222-I226 PolarHBondContact O-N 3.02Å; N223-I226 PolarHBondContact O-N 3Å; I226-M228 VanDerWaalsContact C-N 3.33Å; I226-M228 PolarHBondContact O-N 2.91Å; I226-A229 PolarHBondContact O-N 2.76Å; I226-G230 PolarHBondContact O-N 2.78Å |
| 227 | A | 98.2 | Very high | 96.6 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N223 V224 G230 L231 | N223-A227 VanDerWaalsContact O-CB 3.29Å; N223-A227 WeakPolarHBondContact O-CB 3.49Å; N223-A227 PolarHBondContact O-N 2.94Å; V224-A227 PolarHBondContact O-N 3.29Å; A227-G230 PolarHBondContact O-N 2.92Å; A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 PolarHBondContact O-N 3.21Å |
| 228 | M | 97.8 | Very high | 96.9 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.8 | -170.7 | 62.2 | 68.7 | 0 | 0 | 111.8 | V208 I212 V224 V225 I226 L231 T232 | V208-M228 HydrophobicContact CG1-CB 4.21Å; V208-M228 HydrophobicContact CG1-CG 4.19Å; I212-M228 HydrophobicContact CD1-CB 4.08Å; I212-M228 HydrophobicContact CD1-CG 4.1Å; I212-M228 HydrophobicContact CG1-CG 4.43Å; V224-M228 VanDerWaalsContact O-CB 3.3Å; V224-M228 WeakPolarHBondContact O-CB 3.3Å; V224-M228 PolarHBondContact O-N 2.89Å; V225-M228 PolarHBondContact O-N 3.43Å; I226-M228 VanDerWaalsContact C-N 3.33Å; I226-M228 PolarHBondContact O-N 2.91Å; M228-L231 PolarHBondContact O-N 2.6Å; M228-T232 VanDerWaalsContact O-CB 3.31Å; M228-T232 WeakPolarHBondContact O-CB 3.34Å; M228-T232 PolarHBondContact O-N 2.73Å; M228-T232 PolarHBondContact O-OG1 2.96Å |
| 229 | A | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 12% | 0.116 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F203 V208 V225 I226 T232 K233 | F203-A229 HydrophobicContact CB-CB 4.16Å; F203-A229 HydrophobicContact CD2-CB 4.35Å; F203-A229 WeakPolarHBondContact CD2-O 3.47Å; V208-A229 HydrophobicContact CG2-CB 4.37Å; V225-A229 WeakPolarHBondContact O-CB 3.29Å; V225-A229 PolarHBondContact O-N 3Å; I226-A229 PolarHBondContact O-N 2.76Å; A229-T232 PolarHBondContact O-N 3.5Å; A229-K233 PolarHBondContact O-N 2.87Å |
| 230 | G | 97.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I226 A227 T232 K233 V234 | I226-G230 PolarHBondContact O-N 2.78Å; A227-G230 PolarHBondContact O-N 2.92Å; G230-T232 VanDerWaalsContact C-N 3.3Å; G230-T232 PolarHBondContact O-N 2.93Å; G230-K233 WeakPolarHBondContact O-CB 3.34Å; G230-K233 PolarHBondContact O-N 2.98Å; G230-K233 VanDerWaalsContact O-N 3.17Å; G230-V234 WeakPolarHBondContact O-CG2 3.35Å; G230-V234 PolarHBondContact O-N 3.33Å |
| 231 | L | 97.4 | Very high | 97.4 | Very high | 116 Ų | 116 | 65.9 Ų | 65.9 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 176.6 | -178.4 | 62.2 | 0 | 0 | 0 | 111.8 | A227 M228 K233 V234 F235 | A227-L231 WeakPolarHBondContact O-CB 3.47Å; A227-L231 PolarHBondContact O-N 3.21Å; M228-L231 PolarHBondContact O-N 2.6Å; L231-K233 VanDerWaalsContact C-N 3.35Å; L231-V234 PolarHBondContact O-N 2.82Å; L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 2.99Å |
| 232 | T | 97.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | F203 M228 A229 G230 F235 I236 | F203-T232 HydrophobicContact CD2-CG2 4.36Å; F203-T232 HydrophobicContact CE1-CG2 4.46Å; F203-T232 HydrophobicContact CE2-CG2 3.76Å; F203-T232 HydrophobicContact CZ-CG2 3.86Å; M228-T232 VanDerWaalsContact O-CB 3.31Å; M228-T232 WeakPolarHBondContact O-CB 3.34Å; M228-T232 PolarHBondContact O-N 2.73Å; M228-T232 PolarHBondContact O-OG1 2.96Å; A229-T232 PolarHBondContact O-N 3.5Å; G230-T232 VanDerWaalsContact C-N 3.3Å; G230-T232 PolarHBondContact O-N 2.93Å; T232-F235 PolarHBondContact O-N 3.1Å; T232-I236 HydrophobicContact CG2-CD1 3.86Å; T232-I236 WeakPolarHBondContact O-CG1 3.43Å; T232-I236 PolarHBondContact O-N 3.42Å |
| 233 | K | 97.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.4 | -176.3 | 173.4 | 180 | 170.4 | 0 | 111.4 | F198 R199 A201 F203 A229 G230 L231 I236 G237 | F198-K233 WeakPolarHBondContact O-CE 3.27Å; F198-K233 PolarHBondContact O-NZ 3.5Å; R199-K233 PolarHBondContact O-NZ 2.83Å; A201-K233 WeakPolarHBondContact O-CE 3.29Å; A201-K233 PolarHBondContact O-NZ 3.08Å; F203-K233 HydrophobicContact CE2-CB 4.02Å; A229-K233 PolarHBondContact O-N 2.87Å; G230-K233 WeakPolarHBondContact O-CB 3.34Å; G230-K233 PolarHBondContact O-N 2.98Å; G230-K233 VanDerWaalsContact O-N 3.17Å; L231-K233 VanDerWaalsContact C-N 3.35Å; K233-I236 PolarHBondContact O-N 3.3Å; K233-G237 PolarHBondContact O-N 3.21Å |
| 234 | V | 96.6 | Very high | 97.5 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | G230 L231 I236 G237 E238 | G230-V234 WeakPolarHBondContact O-CG2 3.35Å; G230-V234 PolarHBondContact O-N 3.33Å; L231-V234 PolarHBondContact O-N 2.82Å; V234-I236 PolarHBondContact O-N 3.06Å; V234-G237 PolarHBondContact O-N 3.15Å; V234-G237 VanDerWaalsContact O-N 3.15Å; V234-E238 WeakPolarHBondContact O-CG 3.49Å; V234-E238 PolarHBondContact O-N 3.09Å |
| 235 | F | 97.2 | Very high | 97.5 | Very high | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 179.3 | 172.6 | -100.6 | 0 | 0 | 0 | 113.1 | L231 T232 G237 E238 L239 Y265 | L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 2.99Å; T232-F235 PolarHBondContact O-N 3.1Å; F235-G237 VanDerWaalsContact C-N 3.34Å; F235-E238 PolarHBondContact O-N 3.38Å; F235-L239 HydrophobicContact CE1-CD2 4.23Å; F235-L239 HydrophobicContact CZ-CD2 4.48Å; F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.91Å; F235-Y265 HydrophobicContact CZ-CD2 4.15Å; F235-Y265 HydrophobicContact CZ-CE2 4.04Å |
| 236 | I | 97.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 35% | 0.354 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69 | -35.7 | 178.1 | -72.5 | 161.2 | 0 | 0 | 0 | 111.1 | F203 T232 K233 V234 L239 V240 | F203-I236 HydrophobicContact CE1-CD1 4.2Å; F203-I236 HydrophobicContact CE2-CD1 4.34Å; F203-I236 HydrophobicContact CZ-CD1 3.47Å; F203-I236 VanDerWaalsContact CZ-CD1 3.47Å; T232-I236 HydrophobicContact CG2-CD1 3.86Å; T232-I236 WeakPolarHBondContact O-CG1 3.43Å; T232-I236 PolarHBondContact O-N 3.42Å; K233-I236 PolarHBondContact O-N 3.3Å; V234-I236 PolarHBondContact O-N 3.06Å; I236-L239 PolarHBondContact O-N 3.19Å; I236-V240 HydrophobicContact CG2-CG2 4.17Å; I236-V240 WeakPolarHBondContact O-CB 3.49Å; I236-V240 VanDerWaalsContact O-CG2 3.29Å; I236-V240 WeakPolarHBondContact O-CG2 3.34Å; I236-V240 PolarHBondContact O-N 3.16Å |
| 237 | G | 96.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.1 | -55.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K233 V234 F235 L239 V240 E241 | K233-G237 PolarHBondContact O-N 3.21Å; V234-G237 PolarHBondContact O-N 3.15Å; V234-G237 VanDerWaalsContact O-N 3.15Å; F235-G237 VanDerWaalsContact C-N 3.34Å; G237-L239 VanDerWaalsContact C-N 3.29Å; G237-L239 PolarHBondContact O-N 2.89Å; G237-V240 PolarHBondContact O-N 2.88Å; G237-E241 WeakPolarHBondContact O-CB 3.47Å; G237-E241 WeakPolarHBondContact O-CG 3.43Å; G237-E241 PolarHBondContact O-N 3.05Å |
| 238 | E | 96.7 | Very high | 97.3 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 176.6 | -66.4 | 174.9 | 172.3 | 0 | 0 | 111.9 | V234 F235 E242 L268 R272 | V234-E238 WeakPolarHBondContact O-CG 3.49Å; V234-E238 PolarHBondContact O-N 3.09Å; F235-E238 PolarHBondContact O-N 3.38Å; E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.38Å; E238-L268 HydrophobicContact CB-CD1 4.48Å; E238-R272 IonicContact OE2-CZ 2.93Å; E238-R272 IonicContact OE2-NH2 2.6Å; E238-R272 PolarHBondContact OE2-NH2 3.13Å |
| 239 | L | 98 | Very high | 97.3 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 179.4 | -177.2 | 63.1 | 0 | 0 | 0 | 112.7 | F235 I236 G237 A243 I261 A264 L268 | F235-L239 HydrophobicContact CE1-CD2 4.23Å; F235-L239 HydrophobicContact CZ-CD2 4.48Å; F235-L239 WeakPolarHBondContact O-CB 3.35Å; F235-L239 PolarHBondContact O-N 2.91Å; I236-L239 PolarHBondContact O-N 3.19Å; G237-L239 VanDerWaalsContact C-N 3.29Å; G237-L239 PolarHBondContact O-N 2.89Å; L239-A243 WeakPolarHBondContact O-CB 3.06Å; L239-A243 PolarHBondContact O-N 3.23Å; L239-I261 HydrophobicContact CD2-CG2 4.11Å; L239-I261 HydrophobicContact CG-CG2 4.39Å; L239-A264 HydrophobicContact CD1-CB 3.97Å; L239-L268 HydrophobicContact CB-CD1 4.29Å; L239-L268 HydrophobicContact CD1-CD1 4.07Å |
| 240 | V | 97.8 | Very high | 97.2 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.5 | -41.5 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I236 G237 E242 A243 L244 L256 | I236-V240 HydrophobicContact CG2-CG2 4.17Å; I236-V240 WeakPolarHBondContact O-CB 3.49Å; I236-V240 VanDerWaalsContact O-CG2 3.29Å; I236-V240 WeakPolarHBondContact O-CG2 3.34Å; I236-V240 PolarHBondContact O-N 3.16Å; G237-V240 PolarHBondContact O-N 2.88Å; V240-E242 PolarHBondContact O-N 2.84Å; V240-A243 PolarHBondContact O-N 2.87Å; V240-L244 HydrophobicContact CG1-CD1 4.14Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 2.75Å; V240-L256 HydrophobicContact CG1-CD1 4.09Å |
| 241 | E | 96.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 69.6 Ų | 69.6 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.7 | -49.4 | 174 | -74.9 | 174.8 | -168.3 | 0 | 0 | 110.8 | G237 A243 L244 N245 | G237-E241 WeakPolarHBondContact O-CB 3.47Å; G237-E241 WeakPolarHBondContact O-CG 3.43Å; G237-E241 PolarHBondContact O-N 3.05Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 3.42Å; E241-L244 PolarHBondContact O-N 3.38Å; E241-L244 VanDerWaalsContact O-N 3.17Å; E241-N245 VanDerWaalsContact O-CG 3.31Å; E241-N245 PolarHBondContact O-N 3.3Å |
| 242 | E | 97.7 | Very high | 97 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.4 | -33.2 | -180 | -169.6 | 53.8 | -147.8 | 0 | 0 | 112.6 | E238 V240 L244 N245 Y246 A264 I267 L268 | E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.38Å; V240-E242 PolarHBondContact O-N 2.84Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.43Å; E242-N245 PolarHBondContact O-N 3.31Å; E242-N245 PolarHBondContact OE2-ND2 3.47Å; E242-N245 VanDerWaalsContact OE2-ND2 3.15Å; E242-Y246 WeakPolarHBondContact O-CB 3.46Å; E242-Y246 PolarHBondContact O-N 3.04Å; E242-A264 HydrophobicContact CB-CB 4.03Å; E242-A264 HydrophobicContact CG-CB 4.08Å; E242-I267 HydrophobicContact CG-CB 4.25Å; E242-I267 HydrophobicContact CG-CG2 4.1Å; E242-L268 HydrophobicContact CB-CD1 4.15Å; E242-L268 HydrophobicContact CB-CD2 4.31Å; E242-L268 HydrophobicContact CB-CG 4.12Å; E242-L268 HydrophobicContact CG-CD2 4.4Å; E242-L268 HydrophobicContact CG-CG 4.12Å |
| 243 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L239 V240 E241 K247 L256 H260 I261 A264 | L239-A243 WeakPolarHBondContact O-CB 3.06Å; L239-A243 PolarHBondContact O-N 3.23Å; V240-A243 PolarHBondContact O-N 2.87Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 3.42Å; A243-K247 VanDerWaalsContact O-CB 3.29Å; A243-K247 WeakPolarHBondContact O-CB 3.47Å; A243-K247 PolarHBondContact O-N 3.01Å; A243-L256 HydrophobicContact CB-CD1 4.36Å; A243-L256 HydrophobicContact CB-CD2 3.84Å; A243-H260 HydrophobicContact CB-CB 4.34Å; A243-I261 HydrophobicContact CB-CD1 3.72Å; A243-A264 HydrophobicContact CB-CB 3.73Å |
| 244 | L | 97.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 68.8 Ų | 68.8 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -43.1 | 173.5 | -71.5 | 170.7 | 0 | 0 | 0 | 111.1 | V240 E241 E242 Y246 K247 E248 L256 | V240-L244 HydrophobicContact CG1-CD1 4.14Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 2.75Å; E241-L244 PolarHBondContact O-N 3.38Å; E241-L244 VanDerWaalsContact O-N 3.17Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.43Å; L244-Y246 PolarHBondContact O-N 3.4Å; L244-K247 WeakPolarHBondContact O-CB 3.3Å; L244-K247 PolarHBondContact O-N 2.85Å; L244-E248 WeakPolarHBondContact O-CB 3.49Å; L244-E248 PolarHBondContact O-N 3.08Å; L244-L256 HydrophobicContact CD2-CD1 4.36Å; L244-L256 HydrophobicContact CD2-CD2 3.96Å; L244-L256 HydrophobicContact CD2-CG 4.2Å; L244-L256 HydrophobicContact CG-CD1 4.43Å; L244-L256 HydrophobicContact CG-CD2 4.35Å |
| 245 | N | 96.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 69.9 Ų | 69.9 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.8 | -67.3 | -20.5 | 0 | 0 | 0 | 111.3 | E241 E242 K247 E248 Q249 | E241-N245 VanDerWaalsContact O-CG 3.31Å; E241-N245 PolarHBondContact O-N 3.3Å; E242-N245 PolarHBondContact O-N 3.31Å; E242-N245 PolarHBondContact OE2-ND2 3.47Å; E242-N245 VanDerWaalsContact OE2-ND2 3.15Å; N245-K247 VanDerWaalsContact C-N 3.35Å; N245-K247 PolarHBondContact O-N 3.17Å; N245-E248 PolarHBondContact O-N 2.9Å; N245-Q249 VanDerWaalsContact O-CG 3.29Å; N245-Q249 WeakPolarHBondContact O-CG 3.48Å; N245-Q249 PolarHBondContact O-N 3.35Å |
| 246 | Y | 97 | Very high | 96.7 | Very high | 61 Ų | 61 | 69.5 Ų | 69.5 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.9 | 178.1 | -108.6 | 0 | 0 | 0 | 112.5 | E242 L244 Q249 L250 H260 E263 I267 | E242-Y246 WeakPolarHBondContact O-CB 3.46Å; E242-Y246 PolarHBondContact O-N 3.04Å; L244-Y246 PolarHBondContact O-N 3.4Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Y246-L250 PolarHBondContact O-N 2.84Å; Y246-L250 VanDerWaalsContact O-N 3.11Å; Y246-H260 HydrophobicContact CD1-CB 4.4Å; Y246-E263 HydrophobicContact CD1-CB 3.89Å; Y246-E263 HydrophobicContact CD1-CG 3.99Å; Y246-E263 HydrophobicContact CD2-CG 3.8Å; Y246-E263 HydrophobicContact CE1-CB 3.71Å; Y246-E263 HydrophobicContact CE1-CG 3.76Å; Y246-E263 HydrophobicContact CE2-CB 4.46Å; Y246-E263 HydrophobicContact CE2-CG 3.6Å; Y246-E263 HydrophobicContact CG-CB 4.32Å; Y246-E263 HydrophobicContact CG-CG 3.99Å; Y246-I267 HydrophobicContact CD2-CD1 4.35Å |
| 247 | K | 97.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 70.9 Ų | 70.9 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.2 | -174.9 | -172.8 | 76.7 | 179.7 | 0 | 111.5 | A243 L244 N245 L250 G251 E252 G254 L256 | A243-K247 VanDerWaalsContact O-CB 3.29Å; A243-K247 WeakPolarHBondContact O-CB 3.47Å; A243-K247 PolarHBondContact O-N 3.01Å; L244-K247 WeakPolarHBondContact O-CB 3.3Å; L244-K247 PolarHBondContact O-N 2.85Å; N245-K247 VanDerWaalsContact C-N 3.35Å; N245-K247 PolarHBondContact O-N 3.17Å; K247-L250 PolarHBondContact O-N 3.5Å; K247-G251 PolarHBondContact O-N 3.14Å; K247-E252 HydrophobicContact CG-CB 4.03Å; K247-E252 WeakPolarHBondContact CG-O 3.48Å; K247-E252 PolarHBondContact O-N 2.99Å; K247-E252 VanDerWaalsContact O-N 3.16Å; K247-G254 PolarHBondContact NZ-O 3.49Å; K247-L256 HydrophobicContact CD-CD2 4.34Å |
| 248 | E | 96.5 | Very high | 96.8 | Very high | 151 Ų | 151 | 74.1 Ų | 74.1 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 176.7 | -175.9 | 175.3 | -165.6 | 0 | 0 | 111.5 | L244 N245 L250 G251 | L244-E248 WeakPolarHBondContact O-CB 3.49Å; L244-E248 PolarHBondContact O-N 3.08Å; N245-E248 PolarHBondContact O-N 2.9Å; E248-L250 PolarHBondContact O-N 3.06Å; E248-G251 WeakPolarHBondContact O-CA 3.32Å; E248-G251 PolarHBondContact O-N 2.84Å |
| 249 | Q | 96.2 | Very high | 96.8 | Very high | 145 Ų | 145 | 74.2 Ų | 74.2 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.6 | -33.7 | 174.6 | -71.6 | 170.8 | 46.1 | 0 | 0 | 112.7 | N245 Y246 G251 | N245-Q249 VanDerWaalsContact O-CG 3.29Å; N245-Q249 WeakPolarHBondContact O-CG 3.48Å; N245-Q249 PolarHBondContact O-N 3.35Å; Y246-Q249 PolarHBondContact O-N 3.34Å; Q249-G251 VanDerWaalsContact C-N 3.3Å |
| 250 | L | 95.9 | Very high | 96.8 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.6 | 175.9 | -165.9 | 58.9 | 0 | 0 | 0 | 112.9 | Y246 K247 E248 E252 | Y246-L250 PolarHBondContact O-N 2.84Å; Y246-L250 VanDerWaalsContact O-N 3.11Å; K247-L250 PolarHBondContact O-N 3.5Å; E248-L250 PolarHBondContact O-N 3.06Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 HydrophobicContact CB-CG 4.28Å; L250-E252 HydrophobicContact CD2-CG 3.85Å; L250-E252 VanDerWaalsContact CD2-OE1 3.27Å; L250-E252 WeakPolarHBondContact CD2-OE1 3.49Å; L250-E252 HydrophobicContact CG-CG 3.86Å |
| 251 | G | 96.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 73.3 Ų | 73.3 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 23 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K247 E248 Q249 | K247-G251 PolarHBondContact O-N 3.14Å; E248-G251 WeakPolarHBondContact O-CA 3.32Å; E248-G251 PolarHBondContact O-N 2.84Å; Q249-G251 VanDerWaalsContact C-N 3.3Å |
| 252 | E | 95.4 | Very high | 96.9 | Very high | 53 Ų | 53 | 75.2 Ų | 75.2 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | trans | -88.8 | 133.4 | -179.5 | -70.1 | -171.8 | 170 | 0 | 0 | 112 | K247 L250 K259 H260 | K247-E252 HydrophobicContact CG-CB 4.03Å; K247-E252 WeakPolarHBondContact CG-O 3.48Å; K247-E252 PolarHBondContact O-N 2.99Å; K247-E252 VanDerWaalsContact O-N 3.16Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 HydrophobicContact CB-CG 4.28Å; L250-E252 HydrophobicContact CD2-CG 3.85Å; L250-E252 VanDerWaalsContact CD2-OE1 3.27Å; L250-E252 WeakPolarHBondContact CD2-OE1 3.49Å; L250-E252 HydrophobicContact CG-CG 3.86Å; E252-K259 IonicContact OE1-NZ 2.95Å; E252-K259 PolarHBondContact OE1-NZ 2.88Å; E252-K259 WeakPolarHBondContact OE2-CE 3.4Å; E252-K259 IonicContact OE2-NZ 2.99Å; E252-K259 PolarHBondContact OE2-NZ 2.99Å; E252-H260 IonicContact OE2-CE1 2.79Å; E252-H260 PolarHBondContact OE2-CE1 3.27Å; E252-H260 VanDerWaalsContact OE2-CE1 3.3Å; E252-H260 IonicContact OE2-NE2 2.64Å; E252-H260 PolarHBondContact OE2-NE2 2.85Å | ||
| 253 | S | 93.5 | Very high | 96.9 | Very high | 118 Ų | 118 | 76 Ų | 76 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | trans | -101.8 | 157.6 | 171.6 | -171 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 254 | G | 94.7 | Very high | 96.9 | Very high | 35 Ų | 35 | 76 Ų | 76 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 105 | -169.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | K247 | K247-G254 PolarHBondContact NZ-O 3.49Š|
| 255 | P | 96.7 | Very high | 96.9 | Very high | 108 Ų | 108 | 78.6 Ų | 78.6 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -67.7 | 157.1 | -176.7 | 28.3 | -34.8 | 0 | 0 | 0 | 112.1 | K257 | P255-K257 PolarHBondContact O-N 3.44Š|
| 256 | L | 97.4 | Very high | 96.9 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 125.7 | 175.1 | -73.6 | 171.6 | 0 | 0 | 0 | 110.1 | V240 A243 L244 K247 H260 I261 | V240-L256 HydrophobicContact CG1-CD1 4.09Å; A243-L256 HydrophobicContact CB-CD1 4.36Å; A243-L256 HydrophobicContact CB-CD2 3.84Å; L244-L256 HydrophobicContact CD2-CD1 4.36Å; L244-L256 HydrophobicContact CD2-CD2 3.96Å; L244-L256 HydrophobicContact CD2-CG 4.2Å; L244-L256 HydrophobicContact CG-CD1 4.43Å; L244-L256 HydrophobicContact CG-CD2 4.35Å; K247-L256 HydrophobicContact CD-CD2 4.34Å; L256-H260 HydrophobicContact CD2-CB 4.07Å; L256-I261 HydrophobicContact CB-CD1 4.38Å; L256-I261 HydrophobicContact CD1-CD1 4.06Å |
| 257 | K | 97.5 | Very high | 96.8 | Very high | 98 Ų | 98 | 79.2 Ų | 79.2 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 155.4 | 176 | -64.8 | 173.2 | -177.4 | 168.8 | 0 | 109.2 | P255 K259 H260 I261 | P255-K257 PolarHBondContact O-N 3.44Å; K257-K259 HydrophobicContact CB-CG 3.97Å; K257-K259 PolarHBondContact O-N 3.49Å; K257-H260 PolarHBondContact N-ND1 2.89Å; K257-H260 WeakPolarHBondContact O-CB 3.48Å; K257-H260 PolarHBondContact O-N 3.4Å; K257-I261 PolarHBondContact O-N 3.19Å |
| 258 | P | 98 | Very high | 96.7 | Very high | 87 Ų | 87 | 78.2 Ų | 78.2 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54 | -28 | 177.4 | -29 | 35.8 | 0 | 0 | 0 | 114.5 | R262 | P258-R262 WeakPolarHBondContact O-CG 3.3Å; P258-R262 PolarHBondContact O-N 2.87Å; P258-R262 VanDerWaalsContact O-N 3.1Å |
| 259 | K | 97.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 175 | 65.1 | 174.7 | -176.2 | 171.8 | 0 | 113.4 | E252 K257 E263 | E252-K259 IonicContact OE1-NZ 2.95Å; E252-K259 PolarHBondContact OE1-NZ 2.88Å; E252-K259 WeakPolarHBondContact OE2-CE 3.4Å; E252-K259 IonicContact OE2-NZ 2.99Å; E252-K259 PolarHBondContact OE2-NZ 2.99Å; K257-K259 HydrophobicContact CB-CG 3.97Å; K257-K259 PolarHBondContact O-N 3.49Å; K259-E263 PolarHBondContact O-N 3.25Å |
| 260 | H | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71 | -44 | -179.9 | -52.6 | 132.1 | 0 | 0 | 0 | 110.2 | A243 Y246 E252 L256 K257 E263 A264 | A243-H260 HydrophobicContact CB-CB 4.34Å; Y246-H260 HydrophobicContact CD1-CB 4.4Å; E252-H260 IonicContact OE2-CE1 2.79Å; E252-H260 PolarHBondContact OE2-CE1 3.27Å; E252-H260 VanDerWaalsContact OE2-CE1 3.3Å; E252-H260 IonicContact OE2-NE2 2.64Å; E252-H260 PolarHBondContact OE2-NE2 2.85Å; L256-H260 HydrophobicContact CD2-CB 4.07Å; K257-H260 PolarHBondContact N-ND1 2.89Å; K257-H260 WeakPolarHBondContact O-CB 3.48Å; K257-H260 PolarHBondContact O-N 3.4Å; H260-E263 PolarHBondContact O-N 3.44Å; H260-A264 WeakPolarHBondContact O-CB 3.4Å; H260-A264 PolarHBondContact O-N 3.28Å |
| 261 | I | 98.2 | Very high | 96.1 | Very high | 56 Ų | 56 | 69 Ų | 69 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 178 | -54.6 | -61.1 | 0 | 0 | 0 | 111.8 | L239 A243 L256 K257 E263 A264 Y265 | L239-I261 HydrophobicContact CD2-CG2 4.11Å; L239-I261 HydrophobicContact CG-CG2 4.39Å; A243-I261 HydrophobicContact CB-CD1 3.72Å; L256-I261 HydrophobicContact CB-CD1 4.38Å; L256-I261 HydrophobicContact CD1-CD1 4.06Å; K257-I261 PolarHBondContact O-N 3.19Å; I261-E263 VanDerWaalsContact C-N 3.3Å; I261-E263 PolarHBondContact O-N 3.43Å; I261-A264 PolarHBondContact O-N 3.01Å; I261-Y265 WeakPolarHBondContact O-CB 3.25Å; I261-Y265 PolarHBondContact O-N 3.23Å |
| 262 | R | 98.3 | Very high | 95.6 | Very high | 168 Ų | 168 | 70.5 Ų | 70.5 | 63% | 0.634 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 178.4 | -76.3 | -171.3 | -65.5 | -97.8 | 4.6 | 112.2 | P258 R266 | P258-R262 WeakPolarHBondContact O-CG 3.3Å; P258-R262 PolarHBondContact O-N 2.87Å; P258-R262 VanDerWaalsContact O-N 3.1Å; R262-R266 PolarHBondContact O-N 3.36Å; R262-R266 VanDerWaalsContact O-N 3.15Å |
| 263 | E | 97.7 | Very high | 94.9 | Very high | 45 Ų | 45 | 75 Ų | 75 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.5 | -41.8 | 179 | -173.4 | 64.8 | 179.6 | 0 | 0 | 112.2 | Y246 K259 H260 I261 Y265 R266 I267 | Y246-E263 HydrophobicContact CD1-CB 3.89Å; Y246-E263 HydrophobicContact CD1-CG 3.99Å; Y246-E263 HydrophobicContact CD2-CG 3.8Å; Y246-E263 HydrophobicContact CE1-CB 3.71Å; Y246-E263 HydrophobicContact CE1-CG 3.76Å; Y246-E263 HydrophobicContact CE2-CB 4.46Å; Y246-E263 HydrophobicContact CE2-CG 3.6Å; Y246-E263 HydrophobicContact CG-CB 4.32Å; Y246-E263 HydrophobicContact CG-CG 3.99Å; K259-E263 PolarHBondContact O-N 3.25Å; H260-E263 PolarHBondContact O-N 3.44Å; I261-E263 VanDerWaalsContact C-N 3.3Å; I261-E263 PolarHBondContact O-N 3.43Å; E263-Y265 VanDerWaalsContact C-N 3.26Å; E263-Y265 PolarHBondContact O-N 3.36Å; E263-R266 VanDerWaalsContact CD-NE 3.26Å; E263-R266 WeakPolarHBondContact O-CA 3.25Å; E263-R266 VanDerWaalsContact O-CB 3.3Å; E263-R266 WeakPolarHBondContact O-CB 3.29Å; E263-R266 PolarHBondContact O-N 3.07Å; E263-R266 IonicContact OE1-CZ 3.77Å; E263-R266 IonicContact OE1-NE 3.2Å; E263-R266 PolarHBondContact OE1-NE 3.36Å; E263-R266 IonicContact OE1-NH2 2.63Å; E263-R266 PolarHBondContact OE1-NH2 3.45Å; E263-R266 IonicContact OE2-CZ 2.64Å; E263-R266 IonicContact OE2-NE 3.99Å; E263-R266 PolarHBondContact OE2-NE 3.25Å; E263-I267 HydrophobicContact CG-CD1 4.07Å; E263-I267 HydrophobicContact CG-CG1 4.5Å; E263-I267 WeakPolarHBondContact O-CG1 3.32Å; E263-I267 PolarHBondContact O-N 2.74Å |
| 264 | A | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.8 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L239 E242 A243 H260 I261 R266 I267 L268 | L239-A264 HydrophobicContact CD1-CB 3.97Å; E242-A264 HydrophobicContact CB-CB 4.03Å; E242-A264 HydrophobicContact CG-CB 4.08Å; A243-A264 HydrophobicContact CB-CB 3.73Å; H260-A264 WeakPolarHBondContact O-CB 3.4Å; H260-A264 PolarHBondContact O-N 3.28Å; I261-A264 PolarHBondContact O-N 3.01Å; A264-R266 VanDerWaalsContact C-N 3.31Å; A264-R266 PolarHBondContact O-N 3.45Å; A264-I267 PolarHBondContact O-N 2.7Å; A264-L268 WeakPolarHBondContact O-CB 3.37Å; A264-L268 WeakPolarHBondContact O-CG 3.45Å; A264-L268 PolarHBondContact O-N 3.21Å |
| 265 | Y | 97.3 | Very high | 92 | Very high | 127 Ų | 127 | 77.8 Ų | 77.8 | 50% | 0.498 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 174.7 | -176.6 | -99.3 | 0 | 0 | 0 | 112.2 | F235 I261 E263 S269 | F235-Y265 HydrophobicContact CZ-CD2 4.15Å; F235-Y265 HydrophobicContact CZ-CE2 4.04Å; I261-Y265 WeakPolarHBondContact O-CB 3.25Å; I261-Y265 PolarHBondContact O-N 3.23Å; E263-Y265 VanDerWaalsContact C-N 3.26Å; E263-Y265 PolarHBondContact O-N 3.36Å; Y265-S269 WeakPolarHBondContact O-CB 3.36Å; Y265-S269 PolarHBondContact O-N 3.47Å; Y265-S269 PolarHBondContact O-OG 3.23Å |
| 266 | R | 97.1 | Very high | 90.3 | Very high | 117 Ų | 117 | 77.3 Ų | 77.3 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.5 | -170.7 | -170.1 | 71.2 | 76 | -4.5 | 110.9 | R262 E263 A264 S269 D270 | R262-R266 PolarHBondContact O-N 3.36Å; R262-R266 VanDerWaalsContact O-N 3.15Å; E263-R266 VanDerWaalsContact CD-NE 3.26Å; E263-R266 WeakPolarHBondContact O-CA 3.25Å; E263-R266 VanDerWaalsContact O-CB 3.3Å; E263-R266 WeakPolarHBondContact O-CB 3.29Å; E263-R266 PolarHBondContact O-N 3.07Å; E263-R266 IonicContact OE1-CZ 3.77Å; E263-R266 IonicContact OE1-NE 3.2Å; E263-R266 PolarHBondContact OE1-NE 3.36Å; E263-R266 IonicContact OE1-NH2 2.63Å; E263-R266 PolarHBondContact OE1-NH2 3.45Å; E263-R266 IonicContact OE2-CZ 2.64Å; E263-R266 IonicContact OE2-NE 3.99Å; E263-R266 PolarHBondContact OE2-NE 3.25Å; A264-R266 VanDerWaalsContact C-N 3.31Å; A264-R266 PolarHBondContact O-N 3.45Å; R266-S269 PolarHBondContact O-N 3.44Å; R266-D270 IonicContact NH1-OD2 2.78Å; R266-D270 PolarHBondContact NH1-OD2 2.97Å; R266-D270 VanDerWaalsContact O-CG 3.32Å; R266-D270 PolarHBondContact O-N 2.86Å |
| 267 | I | 95.3 | Very high | 88.4 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.4 | -54.6 | 179.8 | -65.5 | 165.9 | 0 | 0 | 0 | 110.3 | E242 Y246 E263 A264 S269 D270 E271 | E242-I267 HydrophobicContact CG-CB 4.25Å; E242-I267 HydrophobicContact CG-CG2 4.1Å; Y246-I267 HydrophobicContact CD2-CD1 4.35Å; E263-I267 HydrophobicContact CG-CD1 4.07Å; E263-I267 HydrophobicContact CG-CG1 4.5Å; E263-I267 WeakPolarHBondContact O-CG1 3.32Å; E263-I267 PolarHBondContact O-N 2.74Å; A264-I267 PolarHBondContact O-N 2.7Å; I267-S269 VanDerWaalsContact C-N 3.27Å; I267-S269 PolarHBondContact O-N 3.39Å; I267-D270 PolarHBondContact O-N 3.46Å; I267-E271 HydrophobicContact CG2-CG 4.45Å; I267-E271 WeakPolarHBondContact CG2-OE1 3.42Å; I267-E271 WeakPolarHBondContact O-CG 3.5Å; I267-E271 PolarHBondContact O-N 3.43Å |
| 268 | L | 95.1 | Very high | 86.7 | Confident | 14 Ų | 14 | 83.5 Ų | 83.5 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.4 | -36 | 179 | -70.9 | 172.7 | 0 | 0 | 0 | 112.9 | E238 L239 E242 A264 D270 R272 | E238-L268 HydrophobicContact CB-CD1 4.48Å; L239-L268 HydrophobicContact CB-CD1 4.29Å; L239-L268 HydrophobicContact CD1-CD1 4.07Å; E242-L268 HydrophobicContact CB-CD1 4.15Å; E242-L268 HydrophobicContact CB-CD2 4.31Å; E242-L268 HydrophobicContact CB-CG 4.12Å; E242-L268 HydrophobicContact CG-CD2 4.4Å; E242-L268 HydrophobicContact CG-CG 4.12Å; A264-L268 WeakPolarHBondContact O-CB 3.37Å; A264-L268 WeakPolarHBondContact O-CG 3.45Å; A264-L268 PolarHBondContact O-N 3.21Å; L268-D270 VanDerWaalsContact C-N 3.33Å; L268-R272 WeakPolarHBondContact O-CB 3.1Å; L268-R272 VanDerWaalsContact O-CG 3.29Å; L268-R272 WeakPolarHBondContact O-CG 3.16Å; L268-R272 PolarHBondContact O-N 3.02Å |
| 269 | S | 93.7 | Very high | 85.2 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 16% | 0.161 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.1 | -30.8 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | Y265 R266 I267 R273 | Y265-S269 WeakPolarHBondContact O-CB 3.36Å; Y265-S269 PolarHBondContact O-N 3.47Å; Y265-S269 PolarHBondContact O-OG 3.23Å; R266-S269 PolarHBondContact O-N 3.44Å; I267-S269 VanDerWaalsContact C-N 3.27Å; I267-S269 PolarHBondContact O-N 3.39Å; S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 3.38Å; S269-R273 PolarHBondContact O-NE 2.79Å; S269-R273 PolarHBondContact O-NH2 2.93Å |
| 270 | D | 92.7 | Very high | 83.9 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 32% | 0.316 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76 | -42.3 | 175.9 | -70.3 | -24 | 0 | 0 | 0 | 110.6 | R266 I267 L268 R273 C274 | R266-D270 IonicContact NH1-OD2 2.78Å; R266-D270 PolarHBondContact NH1-OD2 2.97Å; R266-D270 VanDerWaalsContact O-CG 3.32Å; R266-D270 PolarHBondContact O-N 2.86Å; I267-D270 PolarHBondContact O-N 3.46Å; L268-D270 VanDerWaalsContact C-N 3.33Å; D270-R273 PolarHBondContact O-N 2.97Å; D270-R273 IonicContact OD1-CZ 3.09Å; D270-R273 IonicContact OD1-NH1 3.17Å; D270-R273 PolarHBondContact OD1-NH1 3.01Å; D270-R273 VanDerWaalsContact OD1-NH1 3.17Å; D270-R273 IonicContact OD1-NH2 2.93Å; D270-R273 PolarHBondContact OD1-NH2 2.96Å; D270-C274 PolarHBondContact O-N 3.07Å; D270-C274 VanDerWaalsContact O-N 3.17Å |
| 271 | E | 89.9 | Confident | 82.8 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 176.5 | -71.5 | 177.5 | 177.3 | 0 | 0 | 112.3 | I267 R273 C274 C275 | I267-E271 HydrophobicContact CG2-CG 4.45Å; I267-E271 WeakPolarHBondContact CG2-OE1 3.42Å; I267-E271 WeakPolarHBondContact O-CG 3.5Å; I267-E271 PolarHBondContact O-N 3.43Å; E271-R273 PolarHBondContact O-N 2.89Å; E271-C274 PolarHBondContact O-N 2.86Å; E271-C275 PolarHBondContact O-N 3.06Å |
| 272 | R | 86.5 | Confident | 81.9 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -28.2 | 178.2 | -69.9 | -174.9 | -170.8 | 117.7 | -4.4 | 112.7 | E238 L268 T276 | E238-R272 IonicContact OE2-CZ 2.93Å; E238-R272 IonicContact OE2-NH2 2.6Å; E238-R272 PolarHBondContact OE2-NH2 3.13Å; L268-R272 WeakPolarHBondContact O-CB 3.1Å; L268-R272 VanDerWaalsContact O-CG 3.29Å; L268-R272 WeakPolarHBondContact O-CG 3.16Å; L268-R272 PolarHBondContact O-N 3.02Å; R272-T276 WeakPolarHBondContact O-CG2 3.44Å |
| 273 | R | 80.3 | Confident | 80.7 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.1 | -36.8 | 174.9 | -84.2 | 179.8 | -90.9 | 150.5 | -4 | 112.4 | S269 D270 E271 C275 T276 | S269-R273 WeakPolarHBondContact O-CG 3.43Å; S269-R273 PolarHBondContact O-N 3.38Å; S269-R273 PolarHBondContact O-NE 2.79Å; S269-R273 PolarHBondContact O-NH2 2.93Å; D270-R273 PolarHBondContact O-N 2.97Å; D270-R273 IonicContact OD1-CZ 3.09Å; D270-R273 IonicContact OD1-NH1 3.17Å; D270-R273 PolarHBondContact OD1-NH1 3.01Å; D270-R273 VanDerWaalsContact OD1-NH1 3.17Å; D270-R273 IonicContact OD1-NH2 2.93Å; D270-R273 PolarHBondContact OD1-NH2 2.96Å; E271-R273 PolarHBondContact O-N 2.89Å; R273-C275 VanDerWaalsContact C-N 3.29Å; R273-C275 PolarHBondContact O-N 3.09Å; R273-T276 PolarHBondContact O-N 3.18Å; R273-T276 PolarHBondContact O-OG1 3.43Å |
| 274 | C | 65 | Low | 78.9 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.1 | -30.9 | 179.6 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | D270 E271 T276 | D270-C274 PolarHBondContact O-N 3.07Å; D270-C274 VanDerWaalsContact O-N 3.17Å; E271-C274 PolarHBondContact O-N 2.86Å; C274-T276 VanDerWaalsContact C-N 3.32Å; C274-T276 PolarHBondContact O-N 3.21Å |
| 275 | C | 62.4 | Low | 77.9 | Confident | 114 Ų | 114 | 110.4 Ų | 110.4 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -2.6 | -178.5 | -61.8 | 0 | 0 | 0 | 0 | 114.1 | E271 R273 | E271-C275 PolarHBondContact O-N 3.06Å; R273-C275 VanDerWaalsContact C-N 3.29Å; R273-C275 PolarHBondContact O-N 3.09Å |
| 276 | T | 61.1 | Low | 76.9 | Confident | 99 Ų | 99 | 109.5 Ų | 109.5 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 14.6 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | R272 R273 C274 T278 | R272-T276 WeakPolarHBondContact O-CG2 3.44Å; R273-T276 PolarHBondContact O-N 3.18Å; R273-T276 PolarHBondContact O-OG1 3.43Å; C274-T276 VanDerWaalsContact C-N 3.32Å; C274-T276 PolarHBondContact O-N 3.21Å; T276-T278 PolarHBondContact O-N 3.37Å |
| 277 | E | 58 | Low | 75.8 | Confident | 168 Ų | 168 | 109.1 Ų | 109.1 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | trans | -63 | 88.4 | 164.8 | -64 | -89.8 | 153.9 | 0 | 0 | 107.9 | P279 | E277-P279 WeakPolarHBondContact O-CD 3.47Š| ||
| 278 | T | 62.1 | Low | 74.6 | Confident | 118 Ų | 118 | 113.8 Ų | 113.8 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.8 | 173.3 | 48.7 | 0 | 0 | 0 | 0 | 107.4 | T276 E280 | T276-T278 PolarHBondContact O-N 3.37Å; T278-E280 PolarHBondContact O-N 3.07Å |
| 279 | P | 65 | Low | 73.3 | Confident | 125 Ų | 125 | 120 Ų | 120 | 81% | 0.812 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.1 | 171.1 | 23.5 | -30.8 | 0 | 0 | 0 | 107.2 | E277 N281 | E277-P279 WeakPolarHBondContact O-CD 3.47Å; P279-N281 PolarHBondContact O-N 3.17Å; P279-N281 VanDerWaalsContact O-N 3.14Å |
| 280 | E | 70.3 | Confident | 72 | Confident | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 125.5 | 174.3 | -72.2 | -168.6 | 155.4 | 0 | 0 | 108.1 | T278 P282 | T278-E280 PolarHBondContact O-N 3.07Å; E280-P282 VanDerWaalsContact O-CD 3.26Å; E280-P282 WeakPolarHBondContact O-CD 3.48Å; E280-P282 VanDerWaalsContact O-N 3.12Å |
| 281 | N | 75.7 | Confident | 70.5 | Confident | 96 Ų | 96 | 131.3 Ų | 131.3 | 51% | 0.513 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 117.1 | -178.7 | -179 | -1.6 | 0 | 0 | 0 | 108.6 | P279 L283 L284 | P279-N281 PolarHBondContact O-N 3.17Å; P279-N281 VanDerWaalsContact O-N 3.14Å; N281-L283 PolarHBondContact O-N 3.1Å; N281-L283 PolarHBondContact OD1-N 3.31Å; N281-L283 VanDerWaalsContact OD1-N 3.15Å; N281-L284 PolarHBondContact O-N 2.97Å |
| 282 | P | 78.8 | Confident | 69 | Low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 2.2 | -177.5 | 28.4 | -35.1 | 0 | 0 | 0 | 113.8 | E280 | E280-P282 VanDerWaalsContact O-CD 3.26Å; E280-P282 WeakPolarHBondContact O-CD 3.48Å; E280-P282 VanDerWaalsContact O-N 3.12Å |
| 283 | L | 73.4 | Confident | 67.6 | Low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 18.2 | -179.7 | -56.6 | -170 | 0 | 0 | 0 | 114.6 | N281 | N281-L283 PolarHBondContact O-N 3.1Å; N281-L283 PolarHBondContact OD1-N 3.31Å; N281-L283 VanDerWaalsContact OD1-N 3.15Å |
| 284 | L | 58.6 | Low | 66.4 | Low | 217 Ų | 217 | 135.3 Ų | 135.3 | 100% | 1.136 | 77% | 0.766 | S | S | * | * | trans | -109.3 | 0 | 164.5 | -75.7 | 173.5 | 0 | 0 | 0 | 111.5 | N281 | N281-L284 PolarHBondContact O-N 2.97Š|
Retrieved 284 of 284 residues in 41.3 ms
(Link to these results)