| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.7 | Very low | 43.5 | Very low | 236 Ų | 236 | 160 Ų | 160 | 100% | 1.163 | 82% | 0.823 | S | S | * | * | 0 | 113.9 | 0 | -70 | 177.5 | -157.4 | 0 | 0 | 107.5 | |||||
| 2 | W | 39.7 | Very low | 42.8 | Very low | 265 Ų | 265 | 159 Ų | 159 | 100% | 1.004 | 82% | 0.82 | S | S | * | * | trans | -156.4 | 133.7 | 141.8 | -87.6 | 2.5 | 0 | 0 | 0 | 105.7 | ||||
| 3 | A | 39.3 | Very low | 43 | Very low | 97 Ų | 97 | 159.1 Ų | 159.1 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -76.1 | 139.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | S | 42.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 87.4 | 145.9 | 81.1 | -156.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 5 | R | 40.3 | Very low | 42 | Very low | 213 Ų | 213 | 153.7 Ų | 153.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 87.4 | 142 | 169 | -61.7 | -172.4 | 156.3 | -179.4 | -5.3 | 117.3 | ||||
| 6 | D | 38.8 | Very low | 41.5 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 64% | 0.642 | 82% | 0.823 | S | S | * | * | cis | -168.4 | 156 | -8.1 | -92.5 | -31 | 0 | 0 | 0 | 107.1 | ||||
| 7 | H | 41.1 | Very low | 41.6 | Very low | 182 Ų | 182 | 147 Ų | 147 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 59.3 | 122 | 146.7 | -79.6 | -17.5 | 0 | 0 | 0 | 125.2 | ||||
| 8 | L | 43.1 | Very low | 42.1 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | -53.9 | 163.5 | 150.3 | -107.2 | 147.7 | 0 | 0 | 0 | 113.3 | E10 | L8-E10 HydrophobicContact CD2-CG 4.39Š| ||
| 9 | P | 53.6 | Low | 42.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | -143.8 | 147.4 | 92.6 | 34.9 | -17 | 0 | 0 | 0 | 116.4 | |||||
| 10 | E | 46.5 | Very low | 41.9 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | trans | -59.8 | 157.9 | 154.9 | -86.5 | -81.2 | 145.7 | 0 | 0 | 111.8 | L8 | L8-E10 HydrophobicContact CD2-CG 4.39Š| ||
| 11 | P | 52.2 | Low | 42 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | trans | -117.8 | 127.9 | 145.8 | 32.5 | -22.1 | 0 | 0 | 0 | 112.8 | ||||
| 12 | D | 34.3 | Very low | 42.2 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 146.4 | 175.9 | -84.5 | -47.4 | 0 | 0 | 0 | 116.1 | ||||
| 13 | L | 45.7 | Very low | 41.8 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 35.7 | 122.1 | 132.9 | -124.7 | 73.8 | 0 | 0 | 0 | 120.8 | ||||
| 14 | G | 33.4 | Very low | 41.9 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -148.4 | 102.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | D | 38.1 | Very low | 41.6 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -57.3 | 142.3 | 169.1 | -90.1 | -46.1 | 0 | 0 | 0 | 113.3 | ||||
| 16 | A | 34.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -171.1 | 123.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 17 | A | 42.3 | Very low | 41.2 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 162.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 18 | P | 51.6 | Low | 40.9 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -96.1 | 153.1 | 176.2 | 37.1 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 19 | P | 47.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -138.2 | 146.3 | 143.9 | 35.5 | -21.2 | 0 | 0 | 0 | 113 | ||||
| 20 | G | 31.3 | Very low | 40 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 151.3 | 75.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | S | 45.4 | Very low | 40 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -87 | 134.9 | 154.7 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | P | 44.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -122.3 | 159.8 | 143.9 | 34.3 | -21.4 | 0 | 0 | 0 | 108.1 | ||||
| 23 | S | 32.7 | Very low | 39.1 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | cis | -171.6 | 137.2 | 0.1 | 165.6 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 24 | S | 41.5 | Very low | 38.4 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | trans | -48.1 | 146.8 | 160 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 25 | F | 34.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 139 Ų | 139 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | -162.4 | 120.4 | 128.1 | -91.8 | -66.8 | 0 | 0 | 0 | 109.7 | |||||
| 26 | W | 33.8 | Very low | 38.1 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -91.2 | 152.3 | 173.5 | -88.1 | 67.5 | 0 | 0 | 0 | 110.6 | ||||
| 27 | T | 38.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | 69.7 | 126.5 | 144.5 | 44.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 28 | S | 33.2 | Very low | 37.8 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -156.1 | 120.2 | 135.1 | 52.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 29 | G | 32.5 | Very low | 37 | Very low | 72 Ų | 72 | 149.4 Ų | 149.4 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | 107.7 | 83.1 | 38.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 30 | L | 46.6 | Very low | 36.5 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -65 | 154 | 168.3 | -83 | 161.7 | 0 | 0 | 0 | 110.3 | ||||
| 31 | P | 45.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | trans | -128.8 | 137.1 | 134.5 | 29.9 | -15.3 | 0 | 0 | 0 | 113.5 | ||||
| 32 | R | 36.1 | Very low | 36.1 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -82.7 | 120.4 | 173.3 | 173.5 | -172.5 | -97.6 | -132.8 | -2.9 | 108.4 | ||||
| 33 | Q | 32.6 | Very low | 35.8 | Very low | 197 Ų | 197 | 167 Ų | 167 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -104.6 | 128.2 | 172.9 | -160.4 | 170.2 | 3.2 | 0 | 0 | 110.3 | ||||
| 34 | A | 31.5 | Very low | 35.8 | Very low | 78 Ų | 78 | 166.2 Ų | 166.2 | 65% | 0.645 | 85% | 0.848 | S | S | * | * | trans | -114.3 | 148.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 35 | R | 33.1 | Very low | 35.5 | Very low | 248 Ų | 248 | 167.9 Ų | 167.9 | 94% | 0.936 | 86% | 0.859 | S | S | * | * | trans | 75.8 | 122.7 | 157 | -61.4 | 179.8 | 178.1 | -174 | 0.4 | 118.4 | ||||
| 36 | S | 31.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 164.2 Ų | 164.2 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | -155.4 | 142.6 | 111.1 | 67.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 37 | K | 39.5 | Very low | 37.2 | Very low | 216 Ų | 216 | 158.8 Ų | 158.8 | 94% | 0.939 | 85% | 0.849 | S | S | * | * | trans | -103.7 | 121.8 | 169.3 | -74.8 | 178.9 | 176.1 | 179.4 | 0 | 106.4 | ||||
| 38 | S | 29.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | -124.1 | 119.1 | 164.4 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | R | 36.1 | Very low | 37.5 | Very low | 248 Ų | 248 | 157.3 Ų | 157.3 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | trans | -65 | 137.9 | 169 | -73.5 | 174.1 | 170.2 | -173.2 | -3.1 | 109.2 | ||||
| 40 | Q | 35.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 159.7 Ų | 159.7 | 94% | 0.935 | 85% | 0.848 | S | S | * | * | trans | -140.7 | 129.1 | 146.6 | -113 | 178.3 | -33.4 | 0 | 0 | 109.6 | ||||
| 41 | R | 34.7 | Very low | 37.6 | Very low | 246 Ų | 246 | 157 Ų | 157 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | trans | -111.5 | 125.2 | 178.8 | -162 | -174.2 | -159.7 | -141.9 | 6.2 | 105.3 | ||||
| 42 | S | 34.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -137.4 | 126.7 | 166.6 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 43 | R | 38 | Very low | 38.4 | Very low | 254 Ų | 254 | 152.7 Ų | 152.7 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | trans | -83.9 | 143.8 | 178.2 | -123.5 | 178.5 | 179.6 | -152.3 | -0.2 | 109 | ||||
| 44 | G | 31.7 | Very low | 39.3 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -172.8 | 129.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 45 | S | 35.8 | Very low | 40 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -78.1 | 175.3 | -161.6 | -61.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 46 | P | 60.6 | Low | 40.9 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -95.9 | 179.7 | -160.5 | 40.1 | -33.5 | 0 | 0 | 0 | 113.9 | ||||
| 47 | P | 43.7 | Very low | 41.7 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -145.2 | 153.3 | 116.8 | 35.3 | -18.7 | 0 | 0 | 0 | 117 | |||||
| 48 | S | 32.7 | Very low | 42 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 58.2 | 124.4 | 144 | 69.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 49 | S | 45 | Very low | 43.1 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -39.8 | 137.7 | 158.8 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 50 | C | 33.5 | Very low | 43.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | -162.2 | 115.3 | 128.3 | -97.3 | 0 | 0 | 0 | 0 | 108 | P52 | C50-P52 WeakPolarHBondContact O-CD 3.35Š| |||
| 51 | V | 47.2 | Very low | 44.4 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | trans | -85.6 | 130.9 | 170.4 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | Y53 | V51-Y53 HydrophobicContact CG1-CD1 3.69Å; V51-Y53 HydrophobicContact CG1-CG 4.34Å | ||
| 52 | P | 45.5 | Very low | 45.3 | Very low | 91 Ų | 91 | 123.5 Ų | 123.5 | 59% | 0.591 | 71% | 0.709 | S | S | * | * | trans | -120.9 | 97 | 141.3 | 28.2 | -13.7 | 0 | 0 | 0 | 108.5 | C50 K54 | C50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-K54 VanDerWaalsContact C-N 3.32Å; P52-K54 PolarHBondContact O-N 3.21Å | ||
| 53 | Y | 52.4 | Low | 46.2 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 92.3 | 170.2 | 56.8 | -83.6 | 0 | 0 | 0 | 106.3 | V51 | V51-Y53 HydrophobicContact CG1-CD1 3.69Å; V51-Y53 HydrophobicContact CG1-CG 4.34Å |
| 54 | K | 51.5 | Low | 47 | Very low | 186 Ų | 186 | 115 Ų | 115 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.3 | -4.8 | 157.1 | -101.6 | 163.3 | -173.1 | -168.5 | 0 | 115.1 | P52 | P52-K54 VanDerWaalsContact C-N 3.32Å; P52-K54 PolarHBondContact O-N 3.21Å |
| 55 | V | 46.7 | Very low | 48 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 66% | 0.661 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -91.3 | -19.8 | 176.5 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | A57 | V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 2.94Å |
| 56 | H | 51.8 | Low | 49.1 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.9 | -15.5 | -175.7 | -67.5 | -60.8 | 0 | 0 | 0 | 115.3 | T60 | H56-T60 WeakPolarHBondContact O-CG2 3.27Å; H56-T60 PolarHBondContact O-N 3.2Å; H56-T60 PolarHBondContact O-OG1 2.86Å |
| 57 | A | 48.9 | Very low | 49.5 | Very low | 65 Ų | 65 | 109.9 Ų | 109.9 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.3 | -32 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | V55 T60 F61 | V55-A57 VanDerWaalsContact C-N 3.34Å; V55-A57 PolarHBondContact O-N 2.94Å; A57-T60 PolarHBondContact O-OG1 3.38Å; A57-T60 VanDerWaalsContact O-OG1 3.14Å; A57-F61 WeakPolarHBondContact O-CD2 3.41Å |
| 58 | L | 45.8 | Very low | 50.7 | Low | 140 Ų | 140 | 110 Ų | 110 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.9 | -34.2 | 177.5 | -69 | 173.8 | 0 | 0 | 0 | 112.1 | T60 F61 E62 | L58-T60 VanDerWaalsContact C-N 3.35Å; L58-T60 PolarHBondContact O-N 2.97Å; L58-F61 PolarHBondContact O-N 3.41Å; L58-E62 PolarHBondContact O-N 2.87Å; L58-E62 VanDerWaalsContact O-N 3.09Å |
| 59 | A | 52.5 | Low | 52.7 | Low | 48 Ų | 48 | 107.7 Ų | 107.7 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.4 | -31.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C63 | A59-C63 WeakPolarHBondContact O-CB 3.47Å; A59-C63 PolarHBondContact O-N 2.9Å; A59-C63 VanDerWaalsContact O-N 3.11Å |
| 60 | T | 50 | Low | 54.2 | Low | 74 Ų | 74 | 105 Ų | 105 | 45% | 0.454 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.4 | -34.3 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 112 | H56 A57 L58 L64 | H56-T60 WeakPolarHBondContact O-CG2 3.27Å; H56-T60 PolarHBondContact O-N 3.2Å; H56-T60 PolarHBondContact O-OG1 2.86Å; A57-T60 PolarHBondContact O-OG1 3.38Å; A57-T60 VanDerWaalsContact O-OG1 3.14Å; L58-T60 VanDerWaalsContact C-N 3.35Å; L58-T60 PolarHBondContact O-N 2.97Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 WeakPolarHBondContact O-CD1 3.06Å; T60-L64 WeakPolarHBondContact O-CG 3.45Å; T60-L64 PolarHBondContact O-N 3.27Å; T60-L64 VanDerWaalsContact O-N 3.09Å |
| 61 | F | 50.5 | Low | 56.7 | Low | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.4 | -40.4 | 175.4 | -92.2 | -84 | 0 | 0 | 0 | 112.7 | A57 L58 L64 A65 | A57-F61 WeakPolarHBondContact O-CD2 3.41Å; L58-F61 PolarHBondContact O-N 3.41Å; F61-L64 PolarHBondContact O-N 2.89Å; F61-A65 WeakPolarHBondContact O-CB 3.48Å; F61-A65 PolarHBondContact O-N 2.89Å |
| 62 | E | 53.5 | Low | 58.5 | Low | 143 Ų | 143 | 105.7 Ų | 105.7 | 67% | 0.668 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.8 | -42.1 | 173.9 | -76.4 | -177 | 163 | 0 | 0 | 111.8 | L58 L64 A65 T66 | L58-E62 PolarHBondContact O-N 2.87Å; L58-E62 VanDerWaalsContact O-N 3.09Å; E62-L64 VanDerWaalsContact C-N 3.35Å; E62-L64 PolarHBondContact O-N 3.14Å; E62-A65 PolarHBondContact O-N 3.3Å; E62-T66 WeakPolarHBondContact O-CG2 3.15Å; E62-T66 PolarHBondContact O-N 2.95Å; E62-T66 PolarHBondContact O-OG1 3.3Å |
| 63 | C | 53.4 | Low | 60.4 | Low | 86 Ų | 86 | 108.8 Ų | 108.8 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -36.6 | 174.9 | -98.7 | 0 | 0 | 0 | 0 | 113.6 | A59 T66 S67 | A59-C63 WeakPolarHBondContact O-CB 3.47Å; A59-C63 PolarHBondContact O-N 2.9Å; A59-C63 VanDerWaalsContact O-N 3.11Å; C63-T66 WeakPolarHBondContact CA-OG1 3.43Å; C63-T66 PolarHBondContact O-OG1 3.45Å; C63-T66 VanDerWaalsContact O-OG1 3.1Å; C63-S67 WeakPolarHBondContact O-CB 3.46Å; C63-S67 PolarHBondContact O-N 3.04Å; C63-S67 PolarHBondContact O-OG 3.35Å |
| 64 | L | 54.4 | Low | 62.2 | Low | 111 Ų | 111 | 105.6 Ų | 105.6 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.3 | -37.4 | 176.2 | -82.8 | 156.1 | 0 | 0 | 0 | 111.6 | T60 F61 E62 S67 H68 | T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 WeakPolarHBondContact O-CD1 3.06Å; T60-L64 WeakPolarHBondContact O-CG 3.45Å; T60-L64 PolarHBondContact O-N 3.27Å; T60-L64 VanDerWaalsContact O-N 3.09Å; F61-L64 PolarHBondContact O-N 2.89Å; E62-L64 VanDerWaalsContact C-N 3.35Å; E62-L64 PolarHBondContact O-N 3.14Å; L64-S67 WeakPolarHBondContact CA-OG 2.79Å; L64-S67 PolarHBondContact O-OG 3.09Å; L64-H68 WeakPolarHBondContact O-CB 2.73Å; L64-H68 PolarHBondContact O-N 3.21Å |
| 65 | A | 53.3 | Low | 64 | Low | 64 Ų | 64 | 102.2 Ų | 102.2 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F61 E62 A69 | F61-A65 WeakPolarHBondContact O-CB 3.48Å; F61-A65 PolarHBondContact O-N 2.89Å; E62-A65 PolarHBondContact O-N 3.3Å; A65-A69 VanDerWaalsContact O-CB 3.28Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.82Å |
| 66 | T | 59 | Low | 66 | Low | 87 Ų | 87 | 100.6 Ų | 100.6 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | E62 C63 S70 | E62-T66 WeakPolarHBondContact O-CG2 3.15Å; E62-T66 PolarHBondContact O-N 2.95Å; E62-T66 PolarHBondContact O-OG1 3.3Å; C63-T66 WeakPolarHBondContact CA-OG1 3.43Å; C63-T66 PolarHBondContact O-OG1 3.45Å; C63-T66 VanDerWaalsContact O-OG1 3.1Å; T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.89Å; T66-S70 PolarHBondContact O-OG 3.45Å; T66-S70 VanDerWaalsContact O-OG 3.09Å |
| 67 | S | 68.8 | Low | 67.5 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.4 | -33.6 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | C63 L64 S70 R71 | C63-S67 WeakPolarHBondContact O-CB 3.46Å; C63-S67 PolarHBondContact O-N 3.04Å; C63-S67 PolarHBondContact O-OG 3.35Å; L64-S67 WeakPolarHBondContact CA-OG 2.79Å; L64-S67 PolarHBondContact O-OG 3.09Å; S67-S70 WeakPolarHBondContact CA-OG 3.17Å; S67-S70 PolarHBondContact O-OG 3.13Å; S67-R71 VanDerWaalsContact O-CB 3.22Å; S67-R71 WeakPolarHBondContact O-CB 3.45Å; S67-R71 PolarHBondContact O-N 3.47Å |
| 68 | H | 69.2 | Low | 69.3 | Low | 119 Ų | 119 | 100.9 Ų | 100.9 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.6 | -44 | 173.9 | -169.6 | -164.9 | 0 | 0 | 0 | 111.3 | L64 R71 L72 | L64-H68 WeakPolarHBondContact O-CB 2.73Å; L64-H68 PolarHBondContact O-N 3.21Å; H68-R71 PolarHBondContact O-N 2.92Å; H68-L72 WeakPolarHBondContact O-CG 3.29Å; H68-L72 PolarHBondContact O-N 2.97Å |
| 69 | A | 73.1 | Confident | 71.3 | Confident | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A65 L72 W73 | A65-A69 VanDerWaalsContact O-CB 3.28Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.82Å; A69-L72 PolarHBondContact O-N 3.05Å; A69-W73 WeakPolarHBondContact O-CB 3.34Å; A69-W73 PolarHBondContact O-N 3.06Å |
| 70 | S | 78.1 | Confident | 72.7 | Confident | 49 Ų | 49 | 103.6 Ų | 103.6 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 175.5 | 70.4 | 0 | 0 | 0 | 0 | 111.7 | T66 S67 W73 E74 | T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.89Å; T66-S70 PolarHBondContact O-OG 3.45Å; T66-S70 VanDerWaalsContact O-OG 3.09Å; S67-S70 WeakPolarHBondContact CA-OG 3.17Å; S67-S70 PolarHBondContact O-OG 3.13Å; S70-W73 WeakPolarHBondContact O-CB 3.32Å; S70-W73 PolarHBondContact O-N 3.24Å; S70-E74 WeakPolarHBondContact O-CB 3.22Å; S70-E74 VanDerWaalsContact O-CG 3.27Å; S70-E74 WeakPolarHBondContact O-CG 3.28Å; S70-E74 PolarHBondContact O-N 3.24Å |
| 71 | R | 84.4 | Confident | 74.1 | Confident | 165 Ų | 165 | 102.3 Ų | 102.3 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -40 | 177.9 | -168.9 | 177 | -174.5 | -162.6 | 0.5 | 112.4 | S67 H68 W73 E74 Q75 | S67-R71 VanDerWaalsContact O-CB 3.22Å; S67-R71 WeakPolarHBondContact O-CB 3.45Å; S67-R71 PolarHBondContact O-N 3.47Å; H68-R71 PolarHBondContact O-N 2.92Å; R71-W73 VanDerWaalsContact C-N 3.33Å; R71-E74 PolarHBondContact O-N 3.04Å; R71-Q75 WeakPolarHBondContact O-CB 3.48Å; R71-Q75 VanDerWaalsContact O-CG 3.28Å; R71-Q75 WeakPolarHBondContact O-CG 3.44Å; R71-Q75 PolarHBondContact O-N 3.35Å |
| 72 | L | 86.8 | Confident | 75.3 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 173.8 | -71.9 | 171.5 | 0 | 0 | 0 | 111.4 | H68 A69 Q75 L76 | H68-L72 WeakPolarHBondContact O-CG 3.29Å; H68-L72 PolarHBondContact O-N 2.97Å; A69-L72 PolarHBondContact O-N 3.05Å; L72-Q75 PolarHBondContact O-N 3.16Å; L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 PolarHBondContact O-N 3.25Å |
| 73 | W | 85.3 | Confident | 76.2 | Confident | 156 Ų | 156 | 97.9 Ų | 97.9 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 174.8 | -174.9 | -110.5 | 0 | 0 | 0 | 112 | A69 S70 R71 Q75 L76 Q77 | A69-W73 WeakPolarHBondContact O-CB 3.34Å; A69-W73 PolarHBondContact O-N 3.06Å; S70-W73 WeakPolarHBondContact O-CB 3.32Å; S70-W73 PolarHBondContact O-N 3.24Å; R71-W73 VanDerWaalsContact C-N 3.33Å; W73-Q75 PolarHBondContact O-N 2.64Å; W73-L76 HydrophobicContact CE3-CD2 4.05Å; W73-L76 HydrophobicContact CZ3-CD2 3.87Å; W73-L76 PolarHBondContact O-N 2.83Å; W73-Q77 VanDerWaalsContact CZ2-NE2 3.3Å; W73-Q77 VanDerWaalsContact O-CG 3.28Å; W73-Q77 WeakPolarHBondContact O-CG 3.26Å; W73-Q77 PolarHBondContact O-N 2.77Å |
| 74 | E | 89.1 | Confident | 77 | Confident | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 173.7 | -72.6 | 158.4 | -170.2 | 0 | 0 | 111.9 | S70 R71 L76 Q77 Q78 | S70-E74 WeakPolarHBondContact O-CB 3.22Å; S70-E74 VanDerWaalsContact O-CG 3.27Å; S70-E74 WeakPolarHBondContact O-CG 3.28Å; S70-E74 PolarHBondContact O-N 3.24Å; R71-E74 PolarHBondContact O-N 3.04Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.91Å; E74-Q77 PolarHBondContact O-N 3.24Å; E74-Q78 WeakPolarHBondContact O-CB 3.3Å; E74-Q78 PolarHBondContact O-N 2.86Å |
| 75 | Q | 88.8 | Confident | 77.6 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.5 | -76.2 | 178.8 | -68.6 | 0 | 0 | 112.4 | R71 L72 W73 Q78 F79 | R71-Q75 WeakPolarHBondContact O-CB 3.48Å; R71-Q75 VanDerWaalsContact O-CG 3.28Å; R71-Q75 WeakPolarHBondContact O-CG 3.44Å; R71-Q75 PolarHBondContact O-N 3.35Å; L72-Q75 PolarHBondContact O-N 3.16Å; W73-Q75 PolarHBondContact O-N 2.64Å; Q75-Q78 PolarHBondContact O-N 2.88Å; Q75-F79 WeakPolarHBondContact O-CB 3.42Å; Q75-F79 PolarHBondContact O-N 2.9Å |
| 76 | L | 88.9 | Confident | 78.4 | Confident | 75 Ų | 75 | 102.2 Ų | 102.2 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 175.9 | -175.3 | 66.9 | 0 | 0 | 0 | 110.8 | L72 W73 E74 Q78 F79 W80 | L72-L76 WeakPolarHBondContact O-CB 3.26Å; L72-L76 PolarHBondContact O-N 3.25Å; W73-L76 HydrophobicContact CE3-CD2 4.05Å; W73-L76 HydrophobicContact CZ3-CD2 3.87Å; W73-L76 PolarHBondContact O-N 2.83Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.91Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.88Å; L76-F79 WeakPolarHBondContact O-CB 3.21Å; L76-F79 PolarHBondContact O-N 3.4Å; L76-W80 VanDerWaalsContact O-CD1 3.22Å; L76-W80 PolarHBondContact O-N 2.66Å |
| 77 | Q | 84.5 | Confident | 79 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.4 | -70.5 | -66 | -38.8 | 0 | 0 | 111.4 | W73 E74 W80 A81 | W73-Q77 VanDerWaalsContact CZ2-NE2 3.3Å; W73-Q77 VanDerWaalsContact O-CG 3.28Å; W73-Q77 WeakPolarHBondContact O-CG 3.26Å; W73-Q77 PolarHBondContact O-N 2.77Å; E74-Q77 PolarHBondContact O-N 3.24Å; Q77-W80 PolarHBondContact O-N 3.06Å; Q77-A81 WeakPolarHBondContact O-CB 3.38Å; Q77-A81 PolarHBondContact O-N 3.36Å |
| 78 | Q | 86.2 | Confident | 78.9 | Confident | 110 Ų | 110 | 109.1 Ų | 109.1 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.9 | -168.1 | 61.5 | 43.2 | 0 | 0 | 111.9 | E74 Q75 L76 W80 A81 D82 | E74-Q78 WeakPolarHBondContact O-CB 3.3Å; E74-Q78 PolarHBondContact O-N 2.86Å; Q75-Q78 PolarHBondContact O-N 2.88Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 2.88Å; Q78-W80 PolarHBondContact O-N 3.41Å; Q78-A81 WeakPolarHBondContact O-CB 3.5Å; Q78-A81 PolarHBondContact O-N 2.69Å; Q78-D82 PolarHBondContact NE2-OD2 2.8Å; Q78-D82 WeakPolarHBondContact O-CB 3.38Å; Q78-D82 PolarHBondContact O-N 2.74Å |
| 79 | F | 86.8 | Confident | 78.8 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.5 | 178.6 | -90 | 0 | 0 | 0 | 111.8 | Q75 L76 A81 D82 H83 I84 | Q75-F79 WeakPolarHBondContact O-CB 3.42Å; Q75-F79 PolarHBondContact O-N 2.9Å; L76-F79 WeakPolarHBondContact O-CB 3.21Å; L76-F79 PolarHBondContact O-N 3.4Å; F79-A81 VanDerWaalsContact C-N 3.33Å; F79-A81 PolarHBondContact O-N 3Å; F79-D82 PolarHBondContact O-N 2.96Å; F79-H83 AromaticContact CD2-CD2 3.12Å; F79-H83 WeakPolarHBondContact CD2-CD2 3.3Å; F79-H83 AromaticContact CD2-NE2 3.56Å; F79-H83 HydrophobicContact CE1-CB 4.34Å; F79-H83 HydrophobicContact CE2-CB 4.47Å; F79-H83 AromaticContact CE2-CD2 3.23Å; F79-H83 WeakPolarHBondContact CE2-CD2 3.5Å; F79-H83 AromaticContact CE2-CG 3.84Å; F79-H83 AromaticContact CE2-NE2 3.59Å; F79-H83 AromaticContact CG-CD2 3.66Å; F79-H83 HydrophobicContact CZ-CB 4.24Å; F79-H83 AromaticContact CZ-CD2 3.85Å; F79-H83 VanDerWaalsContact O-CB 3.3Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-CD2 3.1Å; F79-H83 PolarHBondContact O-N 2.75Å; F79-I84 HydrophobicContact CE1-CD1 4.48Å |
| 80 | W | 81.9 | Confident | 79 | Confident | 137 Ų | 137 | 108.8 Ų | 108.8 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176 | -87.3 | 75.8 | 0 | 0 | 0 | 112 | L76 Q77 Q78 D82 I84 S85 | L76-W80 VanDerWaalsContact O-CD1 3.22Å; L76-W80 PolarHBondContact O-N 2.66Å; Q77-W80 PolarHBondContact O-N 3.06Å; Q78-W80 PolarHBondContact O-N 3.41Å; W80-D82 VanDerWaalsContact C-N 3.33Å; W80-D82 PolarHBondContact O-N 3.35Å; W80-I84 HydrophobicContact CD2-CB 4.46Å; W80-I84 HydrophobicContact CD2-CD1 3.41Å; W80-I84 VanDerWaalsContact CD2-CD1 3.41Å; W80-I84 HydrophobicContact CD2-CG1 4.48Å; W80-I84 HydrophobicContact CE3-CB 3.92Å; W80-I84 HydrophobicContact CE3-CD1 3.54Å; W80-I84 HydrophobicContact CE3-CG1 4.32Å; W80-I84 HydrophobicContact CE3-CG2 3.77Å; W80-I84 HydrophobicContact CG-CD1 3.94Å; W80-I84 HydrophobicContact CH2-CD1 3.97Å; W80-I84 HydrophobicContact CZ2-CD1 3.86Å; W80-I84 HydrophobicContact CZ3-CB 4.35Å; W80-I84 HydrophobicContact CZ3-CD1 3.82Å; W80-I84 HydrophobicContact CZ3-CG2 3.73Å; W80-I84 PolarHBondContact O-N 2.84Å; W80-S85 PolarHBondContact O-N 3.05Å; W80-S85 VanDerWaalsContact O-N 3.08Å; W80-S85 PolarHBondContact O-OG 2.79Å |
| 81 | A | 80.3 | Confident | 78.8 | Confident | 47 Ų | 47 | 117.7 Ų | 117.7 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.8 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q77 Q78 F79 S85 | Q77-A81 WeakPolarHBondContact O-CB 3.38Å; Q77-A81 PolarHBondContact O-N 3.36Å; Q78-A81 WeakPolarHBondContact O-CB 3.5Å; Q78-A81 PolarHBondContact O-N 2.69Å; F79-A81 VanDerWaalsContact C-N 3.33Å; F79-A81 PolarHBondContact O-N 3Å; A81-S85 VanDerWaalsContact C-OG 3.29Å; A81-S85 WeakPolarHBondContact CA-OG 3.15Å; A81-S85 PolarHBondContact O-OG 3.48Å |
| 82 | D | 76.8 | Confident | 78.3 | Confident | 73 Ų | 73 | 121.2 Ų | 121.2 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -84.5 | -31.9 | -173.3 | -70.2 | -36.4 | 0 | 0 | 0 | 113.7 | Q78 F79 W80 R86 | Q78-D82 PolarHBondContact NE2-OD2 2.8Å; Q78-D82 WeakPolarHBondContact O-CB 3.38Å; Q78-D82 PolarHBondContact O-N 2.74Å; F79-D82 PolarHBondContact O-N 2.96Å; W80-D82 VanDerWaalsContact C-N 3.33Å; W80-D82 PolarHBondContact O-N 3.35Å; D82-R86 WeakPolarHBondContact O-CD 3.27Å; D82-R86 PolarHBondContact O-NE 3.18Å |
| 83 | H | 72 | Confident | 77.8 | Confident | 126 Ų | 126 | 122.3 Ų | 122.3 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -108.4 | -30.8 | -171 | -63.8 | -73.2 | 0 | 0 | 0 | 115 | F79 | F79-H83 AromaticContact CD2-CD2 3.12Å; F79-H83 WeakPolarHBondContact CD2-CD2 3.3Å; F79-H83 AromaticContact CD2-NE2 3.56Å; F79-H83 HydrophobicContact CE1-CB 4.34Å; F79-H83 HydrophobicContact CE2-CB 4.47Å; F79-H83 AromaticContact CE2-CD2 3.23Å; F79-H83 WeakPolarHBondContact CE2-CD2 3.5Å; F79-H83 AromaticContact CE2-CG 3.84Å; F79-H83 AromaticContact CE2-NE2 3.59Å; F79-H83 AromaticContact CG-CD2 3.66Å; F79-H83 HydrophobicContact CZ-CB 4.24Å; F79-H83 AromaticContact CZ-CD2 3.85Å; F79-H83 VanDerWaalsContact O-CB 3.3Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-CD2 3.1Å; F79-H83 PolarHBondContact O-N 2.75Å |
| 84 | I | 70 | Confident | 77.4 | Confident | 87 Ų | 87 | 120.6 Ų | 120.6 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | -36.9 | -169.4 | -60.6 | 168.5 | 0 | 0 | 0 | 111.5 | F79 W80 R86 | F79-I84 HydrophobicContact CE1-CD1 4.48Å; W80-I84 HydrophobicContact CD2-CB 4.46Å; W80-I84 HydrophobicContact CD2-CD1 3.41Å; W80-I84 VanDerWaalsContact CD2-CD1 3.41Å; W80-I84 HydrophobicContact CD2-CG1 4.48Å; W80-I84 HydrophobicContact CE3-CB 3.92Å; W80-I84 HydrophobicContact CE3-CD1 3.54Å; W80-I84 HydrophobicContact CE3-CG1 4.32Å; W80-I84 HydrophobicContact CE3-CG2 3.77Å; W80-I84 HydrophobicContact CG-CD1 3.94Å; W80-I84 HydrophobicContact CH2-CD1 3.97Å; W80-I84 HydrophobicContact CZ2-CD1 3.86Å; W80-I84 HydrophobicContact CZ3-CB 4.35Å; W80-I84 HydrophobicContact CZ3-CD1 3.82Å; W80-I84 HydrophobicContact CZ3-CG2 3.73Å; W80-I84 PolarHBondContact O-N 2.84Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.19Å |
| 85 | S | 66.3 | Low | 76.7 | Confident | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -83.6 | -0.8 | 177.3 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | W80 A81 P87 | W80-S85 PolarHBondContact O-N 3.05Å; W80-S85 VanDerWaalsContact O-N 3.08Å; W80-S85 PolarHBondContact O-OG 2.79Å; A81-S85 VanDerWaalsContact C-OG 3.29Å; A81-S85 WeakPolarHBondContact CA-OG 3.15Å; A81-S85 PolarHBondContact O-OG 3.48Å; S85-P87 WeakPolarHBondContact O-CD 3.43Å |
| 86 | R | 71.1 | Confident | 76.1 | Confident | 183 Ų | 183 | 127.9 Ų | 127.9 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -64.4 | 121.4 | 167.7 | -83.9 | -175.6 | -177.9 | -104.7 | -2.7 | 107.9 | D82 I84 F88 | D82-R86 WeakPolarHBondContact O-CD 3.27Å; D82-R86 PolarHBondContact O-NE 3.18Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 3.19Å; R86-F88 PolarHBondContact O-N 3.39Å |
| 87 | P | 71.6 | Confident | 75.3 | Confident | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 65% | 0.65 | S | S | * | * | trans | -57.9 | 114.1 | 177.8 | 21.1 | -30.3 | 0 | 0 | 0 | 108.2 | S85 S89 | S85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-S89 VanDerWaalsContact C-N 3.26Å; P87-S89 PolarHBondContact O-N 3.44Å; P87-S89 PolarHBondContact O-OG 3.44Å | ||
| 88 | F | 65.5 | Low | 74.3 | Confident | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | trans | -55.9 | 96.9 | 173.4 | 179 | -106 | 0 | 0 | 0 | 107.3 | R86 P90 | R86-F88 PolarHBondContact O-N 3.39Å; F88-P90 HydrophobicContact CD1-CG 4.01Å; F88-P90 HydrophobicContact CE1-CB 3.96Å; F88-P90 HydrophobicContact CE1-CG 3.59Å; F88-P90 HydrophobicContact CZ-CB 3.97Å; F88-P90 HydrophobicContact CZ-CG 4.14Å; F88-P90 WeakPolarHBondContact O-CD 3.24Å | ||
| 89 | S | 68 | Low | 72.7 | Confident | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | trans | -111.9 | 74.3 | -178.4 | -59.3 | 0 | 0 | 0 | 0 | 105.8 | P87 R91 | P87-S89 VanDerWaalsContact C-N 3.26Å; P87-S89 PolarHBondContact O-N 3.44Å; P87-S89 PolarHBondContact O-OG 3.44Å; S89-R91 PolarHBondContact O-N 2.81Å | ||
| 90 | P | 76.6 | Confident | 71.5 | Confident | 84 Ų | 84 | 138.1 Ų | 138.1 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 120.2 | 177 | 24.5 | -31.8 | 0 | 0 | 0 | 106.4 | F88 R92 | F88-P90 HydrophobicContact CD1-CG 4.01Å; F88-P90 HydrophobicContact CE1-CB 3.96Å; F88-P90 HydrophobicContact CE1-CG 3.59Å; F88-P90 HydrophobicContact CZ-CB 3.97Å; F88-P90 HydrophobicContact CZ-CG 4.14Å; F88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-R92 PolarHBondContact O-N 3.21Å |
| 91 | R | 74.9 | Confident | 70.5 | Confident | 236 Ų | 236 | 138.1 Ų | 138.1 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.2 | 176.3 | -71.1 | -175 | 173.6 | -166.1 | -1.6 | 107 | S89 P93 | S89-R91 PolarHBondContact O-N 2.81Å; R91-P93 VanDerWaalsContact O-CD 3.31Å; R91-P93 WeakPolarHBondContact O-CD 3.49Å |
| 92 | R | 74.1 | Confident | 70 | Confident | 239 Ų | 239 | 137.8 Ų | 137.8 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 118.8 | 175.5 | -74.4 | -174.7 | 179 | 155 | 0.3 | 107.2 | P90 | P90-R92 PolarHBondContact O-N 3.21Š|
| 93 | P | 75.4 | Confident | 69.7 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.6 | 176.4 | 19.5 | -28.2 | 0 | 0 | 0 | 108 | R91 L95 | R91-P93 VanDerWaalsContact O-CD 3.31Å; R91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-L95 PolarHBondContact O-N 3.18Å |
| 94 | P | 77.9 | Confident | 69.5 | Low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.6 | -177.8 | 21.5 | -32.1 | 0 | 0 | 0 | 109.6 | R96 | P94-R96 PolarHBondContact O-N 3.27Š|
| 95 | L | 74 | Confident | 69.6 | Low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | trans | -61.5 | 113.5 | -179.4 | -166.5 | 73.6 | 0 | 0 | 0 | 107.9 | P93 R97 | P93-L95 PolarHBondContact O-N 3.18Å; L95-R97 PolarHBondContact O-N 2.88Å; L95-R97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | R | 75.3 | Confident | 70.4 | Confident | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 71% | 0.71 | S | S | * | * | trans | -59.8 | 118.8 | 177.2 | -69.1 | -175 | 177.1 | -173 | -0.6 | 107.7 | P94 M98 | P94-R96 PolarHBondContact O-N 3.27Å; R96-M98 PolarHBondContact O-N 2.85Å | ||
| 97 | R | 72.3 | Confident | 71 | Confident | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -65.7 | -16.8 | -177.7 | -82.1 | -174.6 | 143.1 | -173.2 | -6.9 | 114.1 | L95 | L95-R97 PolarHBondContact O-N 2.88Å; L95-R97 VanDerWaalsContact O-N 3.13Å |
| 98 | M | 64.3 | Low | 71.8 | Confident | 161 Ų | 161 | 139 Ų | 139 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | trans | -142.5 | 118.7 | 169.9 | -58 | -173.1 | 79.8 | 0 | 0 | 106.8 | R96 S100 | R96-M98 PolarHBondContact O-N 2.85Å; M98-S100 VanDerWaalsContact C-N 3.26Å; M98-S100 PolarHBondContact O-N 3.24Å | ||
| 99 | S | 52.8 | Low | 72.7 | Confident | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | trans | -57.5 | 104.8 | 147.3 | 26.2 | 0 | 0 | 0 | 0 | 104.8 | L101 | S99-L101 PolarHBondContact O-N 2.79Š| ||
| 100 | S | 60.8 | Low | 73.3 | Confident | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | -55.6 | 91.1 | 164.6 | 53 | 0 | 0 | 0 | 0 | 105.5 | M98 S102 | M98-S100 VanDerWaalsContact C-N 3.26Å; M98-S100 PolarHBondContact O-N 3.24Å; S100-S102 PolarHBondContact O-N 3.41Å | ||
| 101 | L | 60.9 | Low | 73.7 | Confident | 136 Ų | 136 | 136.6 Ų | 136.6 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | -62.3 | 96.8 | 171.1 | -85.1 | 169.8 | 0 | 0 | 0 | 103.1 | S99 T103 Y105 | S99-L101 PolarHBondContact O-N 2.79Å; L101-T103 PolarHBondContact O-N 2.83Å; L101-Y105 HydrophobicContact CD2-CE2 4.14Å | ||
| 102 | S | 68.9 | Low | 74.1 | Confident | 41 Ų | 41 | 128.7 Ų | 128.7 | 29% | 0.287 | 64% | 0.642 | S | S | . | * | trans | -59 | 133.2 | 179.7 | -172.8 | 0 | 0 | 0 | 0 | 106.9 | S100 F104 Y105 | S100-S102 PolarHBondContact O-N 3.41Å; S102-F104 PolarHBondContact O-N 3.27Å; S102-F104 WeakPolarHBondContact OG-CD2 3.48Å; S102-F104 WeakPolarHBondContact OG-CE2 3.48Å; S102-F104 WeakPolarHBondContact OG-CG 3.32Å; S102-F104 VanDerWaalsContact OG-CZ 3.29Å; S102-F104 WeakPolarHBondContact OG-CZ 3.46Å; S102-Y105 WeakPolarHBondContact O-CD2 3.42Å | ||
| 103 | T | 71.6 | Confident | 74.5 | Confident | 104 Ų | 104 | 121.4 Ų | 121.4 | 64% | 0.638 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -59.3 | -1 | 178.2 | 20.7 | 0 | 0 | 0 | 0 | 113 | L101 Y105 L106 | L101-T103 PolarHBondContact O-N 2.83Å; T103-Y105 PolarHBondContact O-N 2.95Å; T103-Y105 VanDerWaalsContact O-N 3.09Å; T103-L106 HydrophobicContact CG2-CD1 3.98Å; T103-L106 WeakPolarHBondContact O-CB 3.47Å; T103-L106 PolarHBondContact O-N 3.43Å |
| 104 | F | 67.1 | Low | 74.8 | Confident | 81 Ų | 81 | 120.2 Ų | 120.2 | 36% | 0.355 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -55.1 | -21.8 | 173.5 | -55.8 | -40 | 0 | 0 | 0 | 115 | S102 L106 L107 R112 L116 | S102-F104 PolarHBondContact O-N 3.27Å; S102-F104 WeakPolarHBondContact OG-CD2 3.48Å; S102-F104 WeakPolarHBondContact OG-CE2 3.48Å; S102-F104 WeakPolarHBondContact OG-CG 3.32Å; S102-F104 VanDerWaalsContact OG-CZ 3.29Å; S102-F104 WeakPolarHBondContact OG-CZ 3.46Å; F104-L106 PolarHBondContact O-N 2.96Å; F104-L107 HydrophobicContact CD1-CD1 4Å; F104-L107 PolarHBondContact O-N 3.29Å; F104-R112 PolarHBondContact O-NE 2.93Å; F104-R112 PolarHBondContact O-NH2 3.4Å; F104-L116 HydrophobicContact CB-CD1 3.96Å; F104-L116 HydrophobicContact CD1-CD1 3.61Å; F104-L116 HydrophobicContact CD2-CD1 3.16Å; F104-L116 HydrophobicContact CE1-CD1 3.83Å; F104-L116 HydrophobicContact CE2-CD1 3.43Å; F104-L116 VanDerWaalsContact CE2-CD1 3.43Å; F104-L116 HydrophobicContact CE2-CD2 4.3Å; F104-L116 HydrophobicContact CG-CD1 3.3Å; F104-L116 HydrophobicContact CZ-CD1 3.78Å; F104-L116 HydrophobicContact CZ-CD2 4.36Å |
| 105 | Y | 71.7 | Confident | 74.8 | Confident | 165 Ų | 165 | 120.3 Ų | 120.3 | 65% | 0.647 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -68.8 | -20.9 | 173.7 | -66.3 | -75.9 | 0 | 0 | 0 | 113.5 | L101 S102 T103 R112 | L101-Y105 HydrophobicContact CD2-CE2 4.14Å; S102-Y105 WeakPolarHBondContact O-CD2 3.42Å; T103-Y105 PolarHBondContact O-N 2.95Å; T103-Y105 VanDerWaalsContact O-N 3.09Å; Y105-R112 VanDerWaalsContact C-NH2 3.34Å; Y105-R112 VanDerWaalsContact CA-NH2 3.35Å; Y105-R112 PolarHBondContact O-NH2 3Å |
| 106 | L | 84.4 | Confident | 74.9 | Confident | 147 Ų | 147 | 116 Ų | 116 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -80.9 | -18.7 | 175.2 | -61.6 | 174.7 | 0 | 0 | 0 | 112.9 | T103 F104 | T103-L106 HydrophobicContact CG2-CD1 3.98Å; T103-L106 WeakPolarHBondContact O-CB 3.47Å; T103-L106 PolarHBondContact O-N 3.43Å; F104-L106 PolarHBondContact O-N 2.96Å |
| 107 | L | 83.7 | Confident | 74.8 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 33% | 0.325 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -77.4 | 144.9 | 176.9 | -64.3 | 172.9 | 0 | 0 | 0 | 110.7 | F104 T111 R112 | F104-L107 HydrophobicContact CD1-CD1 4Å; F104-L107 PolarHBondContact O-N 3.29Å; L107-T111 HydrophobicContact CD2-CG2 4.47Å; L107-R112 PolarHBondContact O-NH2 3.37Å |
| 108 | D | 88.8 | Confident | 74.8 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 66% | 0.658 | 54% | 0.544 | S | S | * | . | trans | -53.4 | 148.9 | 171.4 | -73.8 | -13.1 | 0 | 0 | 0 | 111.5 | N110 T111 R112 | D108-N110 PolarHBondContact O-N 3.04Å; D108-T111 PolarHBondContact O-N 2.98Å; D108-T111 VanDerWaalsContact O-N 3.14Å; D108-R112 WeakPolarHBondContact O-CB 3.47Å; D108-R112 PolarHBondContact O-N 3.42Å | ||
| 109 | H | 82.7 | Confident | 75.2 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 57% | 0.569 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -53.6 | -42.7 | -178.5 | -179.1 | 80.2 | 0 | 0 | 0 | 112.3 | R112 Q113 | H109-R112 PolarHBondContact O-N 3.13Å; H109-Q113 WeakPolarHBondContact O-CB 3.22Å; H109-Q113 VanDerWaalsContact O-CG 3.27Å; H109-Q113 WeakPolarHBondContact O-CG 3.31Å; H109-Q113 PolarHBondContact O-N 3.28Å |
| 110 | N | 81.9 | Confident | 75.9 | Confident | 130 Ų | 130 | 102 Ų | 102 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | -179.7 | -69.7 | -32.9 | 0 | 0 | 0 | 112.2 | D108 R112 Q113 A114 | D108-N110 PolarHBondContact O-N 3.04Å; N110-R112 VanDerWaalsContact C-N 3.34Å; N110-Q113 PolarHBondContact O-N 3.13Å; N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 3.08Å |
| 111 | T | 84.6 | Confident | 76.8 | Confident | 53 Ų | 53 | 100.2 Ų | 100.2 | 33% | 0.325 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.7 | -42.9 | 0 | 0 | 0 | 0 | 110.6 | L107 D108 Q113 A114 E115 | L107-T111 HydrophobicContact CD2-CG2 4.47Å; D108-T111 PolarHBondContact O-N 2.98Å; D108-T111 VanDerWaalsContact O-N 3.14Å; T111-Q113 PolarHBondContact O-N 2.97Å; T111-A114 PolarHBondContact O-N 3.23Å; T111-E115 WeakPolarHBondContact O-CG 3.38Å; T111-E115 PolarHBondContact O-N 3.17Å |
| 112 | R | 84 | Confident | 77.9 | Confident | 69 Ų | 69 | 95.4 Ų | 95.4 | 26% | 0.26 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.8 | -168.6 | -174.6 | -56 | 160.6 | 12.7 | 112.3 | F104 Y105 L107 D108 H109 N110 L116 G117 | F104-R112 PolarHBondContact O-NE 2.93Å; F104-R112 PolarHBondContact O-NH2 3.4Å; Y105-R112 VanDerWaalsContact C-NH2 3.34Å; Y105-R112 VanDerWaalsContact CA-NH2 3.35Å; Y105-R112 PolarHBondContact O-NH2 3Å; L107-R112 PolarHBondContact O-NH2 3.37Å; D108-R112 WeakPolarHBondContact O-CB 3.47Å; D108-R112 PolarHBondContact O-N 3.42Å; H109-R112 PolarHBondContact O-N 3.13Å; N110-R112 VanDerWaalsContact C-N 3.34Å; R112-L116 CarbonylContact O-C 3.59Å; R112-L116 WeakPolarHBondContact O-CA 3.07Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 2.99Å; R112-G117 PolarHBondContact O-N 2.89Å |
| 113 | Q | 82.1 | Confident | 78.8 | Confident | 87 Ų | 87 | 97 Ų | 97 | 41% | 0.407 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.4 | -32.6 | 177.2 | -69.8 | -57.6 | -39.5 | 0 | 0 | 112.8 | H109 N110 T111 G117 | H109-Q113 WeakPolarHBondContact O-CB 3.22Å; H109-Q113 VanDerWaalsContact O-CG 3.27Å; H109-Q113 WeakPolarHBondContact O-CG 3.31Å; H109-Q113 PolarHBondContact O-N 3.28Å; N110-Q113 PolarHBondContact O-N 3.13Å; T111-Q113 PolarHBondContact O-N 2.97Å; Q113-G117 WeakPolarHBondContact O-CA 3.42Å; Q113-G117 PolarHBondContact O-N 3.41Å |
| 114 | A | 80.4 | Confident | 79.7 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.3 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N110 T111 | N110-A114 WeakPolarHBondContact O-CB 3.43Å; N110-A114 PolarHBondContact O-N 3.08Å; T111-A114 PolarHBondContact O-N 3.23Å |
| 115 | E | 79.7 | Confident | 80.7 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -86.2 | -36.7 | -175.9 | -66.1 | 179.3 | -179.7 | 0 | 0 | 113.1 | T111 | T111-E115 WeakPolarHBondContact O-CG 3.38Å; T111-E115 PolarHBondContact O-N 3.17Å |
| 116 | L | 74.9 | Confident | 81.6 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 41% | 0.414 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -131 | -0.1 | -170.4 | -57.4 | 169.4 | 0 | 0 | 0 | 113.2 | F104 R112 | F104-L116 HydrophobicContact CB-CD1 3.96Å; F104-L116 HydrophobicContact CD1-CD1 3.61Å; F104-L116 HydrophobicContact CD2-CD1 3.16Å; F104-L116 HydrophobicContact CE1-CD1 3.83Å; F104-L116 HydrophobicContact CE2-CD1 3.43Å; F104-L116 VanDerWaalsContact CE2-CD1 3.43Å; F104-L116 HydrophobicContact CE2-CD2 4.3Å; F104-L116 HydrophobicContact CG-CD1 3.3Å; F104-L116 HydrophobicContact CZ-CD1 3.78Å; F104-L116 HydrophobicContact CZ-CD2 4.36Å; R112-L116 CarbonylContact O-C 3.59Å; R112-L116 WeakPolarHBondContact O-CA 3.07Å; R112-L116 WeakPolarHBondContact O-CB 3.43Å; R112-L116 PolarHBondContact O-N 2.99Å |
| 117 | G | 73.1 | Confident | 81.9 | Confident | 14 Ų | 14 | 97.6 Ų | 97.6 | 14% | 0.144 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -66.4 | 155.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R112 Q113 A119 | R112-G117 PolarHBondContact O-N 2.89Å; Q113-G117 WeakPolarHBondContact O-CA 3.42Å; Q113-G117 PolarHBondContact O-N 3.41Å; G117-A119 PolarHBondContact O-N 3.45Å |
| 118 | L | 73 | Confident | 81.8 | Confident | 140 Ų | 140 | 99.8 Ų | 99.8 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -74 | 26.4 | 179.6 | -81.3 | 72.8 | 0 | 0 | 0 | 112.7 | Y120 | L118-Y120 HydrophobicContact CB-CD2 4.21Å; L118-Y120 HydrophobicContact CB-CE2 3.95Å; L118-Y120 HydrophobicContact CG-CD2 4.49Å; L118-Y120 HydrophobicContact CG-CE2 3.79Å; L118-Y120 WeakPolarHBondContact O-CD2 3.3Å; L118-Y120 PolarHBondContact O-N 3.46Å |
| 119 | A | 72.4 | Confident | 81.5 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | trans | -76.8 | 54.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | G117 G121 | G117-A119 PolarHBondContact O-N 3.45Å; A119-G121 PolarHBondContact O-N 3.06Å | ||
| 120 | Y | 67.9 | Low | 81.8 | Confident | 185 Ų | 185 | 100.4 Ų | 100.4 | 73% | 0.725 | 54% | 0.542 | S | S | * | . | trans | -67.5 | -4.4 | 178.8 | -61.3 | -65.6 | 0 | 0 | 0 | 113.3 | L118 | L118-Y120 HydrophobicContact CB-CD2 4.21Å; L118-Y120 HydrophobicContact CB-CE2 3.95Å; L118-Y120 HydrophobicContact CG-CD2 4.49Å; L118-Y120 HydrophobicContact CG-CE2 3.79Å; L118-Y120 WeakPolarHBondContact O-CD2 3.3Å; L118-Y120 PolarHBondContact O-N 3.46Å | ||
| 121 | G | 79.4 | Confident | 82.1 | Confident | 65 Ų | 65 | 95.4 Ų | 95.4 | 67% | 0.67 | 52% | 0.519 | S | S | * | . | trans | 67.6 | -162.5 | -173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A119 | A119-G121 PolarHBondContact O-N 3.06Š| ||
| 122 | A | 83.5 | Confident | 82.5 | Confident | 34 Ų | 34 | 94.7 Ų | 94.7 | 28% | 0.281 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -64.7 | 139.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R124 V133 | A122-R124 PolarHBondContact O-N 3.27Å; A122-V133 HydrophobicContact CB-CG1 3.49Å; A122-V133 VanDerWaalsContact CB-CG1 3.49Å |
| 123 | P | 89.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | trans | -51.4 | 127.2 | -179.8 | -26.5 | 32.5 | 0 | 0 | 0 | 111.9 | V133 F134 W139 | P123-V133 WeakPolarHBondContact O-CA 3.28Å; P123-F134 HydrophobicContact CB-CB 3.95Å; P123-F134 HydrophobicContact CG-CB 4.22Å; P123-F134 HydrophobicContact CG-CD1 4.39Å; P123-F134 PolarHBondContact O-N 3.26Å; P123-W139 HydrophobicContact CB-CH2 4.23Å | ||
| 124 | R | 88.5 | Confident | 83.3 | Confident | 164 Ų | 164 | 91.2 Ų | 91.2 | 62% | 0.619 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142 | 179.7 | -74.2 | -179.2 | 159.1 | 145.5 | -3.1 | 110.6 | A122 F132 V133 E142 | A122-R124 PolarHBondContact O-N 3.27Å; R124-F132 CarbonylContact C-O 3.54Å; R124-F132 VanDerWaalsContact CA-O 3.22Å; R124-F132 WeakPolarHBondContact CA-O 3.43Å; R124-V133 HydrophobicContact CG-CG1 4.36Å; R124-V133 HydrophobicContact CG-CG2 3.98Å; R124-E142 IonicContact CZ-OE1 3.21Å; R124-E142 IonicContact CZ-OE2 3.91Å; R124-E142 IonicContact NE-OE1 3.06Å; R124-E142 PolarHBondContact NE-OE1 3.02Å; R124-E142 IonicContact NE-OE2 3.16Å; R124-E142 PolarHBondContact NE-OE2 3.26Å; R124-E142 VanDerWaalsContact NE-OE2 3.16Å; R124-E142 IonicContact NH2-OE1 2.64Å; R124-E142 PolarHBondContact NH2-OE1 3.28Å |
| 125 | M | 89.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 94 Ų | 94 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143 | 176.3 | -178.3 | 174.4 | 59 | 0 | 0 | 109.7 | L127 A131 F132 W139 | M125-L127 HydrophobicContact CE-CD1 3.52Å; M125-L127 HydrophobicContact CE-CG 4.07Å; M125-L127 HydrophobicContact CG-CG 4.2Å; M125-L127 HydrophobicContact SD-CD1 4.12Å; M125-L127 HydrophobicContact SD-CD2 4.37Å; M125-L127 HydrophobicContact SD-CG 4.16Å; M125-A131 CarbonylContact O-C 3.44Å; M125-F132 PolarHBondContact N-O 3.18Å; M125-F132 PolarHBondContact O-N 2.97Å; M125-W139 HydrophobicContact CB-CE3 4.41Å; M125-W139 HydrophobicContact CB-CH2 3.89Å; M125-W139 HydrophobicContact CB-CZ3 3.69Å; M125-W139 HydrophobicContact CE-CD2 4.34Å; M125-W139 HydrophobicContact CE-CE3 4.43Å; M125-W139 HydrophobicContact CE-CZ2 4.43Å |
| 126 | R | 90.7 | Very high | 84 | Confident | 188 Ų | 188 | 92.4 Ų | 92.4 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122 | 174.3 | -64.6 | -178 | 70.8 | -163.9 | 1.1 | 109.6 | Q130 A131 | R126-Q130 CarbonylContact C-O 3.53Å; R126-Q130 VanDerWaalsContact CA-O 3.28Å; R126-Q130 WeakPolarHBondContact CA-O 3.4Å; R126-A131 HydrophobicContact CG-CB 4.22Å |
| 127 | L | 89.9 | Confident | 84.6 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.4 | 174.1 | -66.1 | 172.7 | 0 | 0 | 0 | 108.1 | M125 N129 Q130 F132 | M125-L127 HydrophobicContact CE-CD1 3.52Å; M125-L127 HydrophobicContact CE-CG 4.07Å; M125-L127 HydrophobicContact CG-CG 4.2Å; M125-L127 HydrophobicContact SD-CD1 4.12Å; M125-L127 HydrophobicContact SD-CD2 4.37Å; M125-L127 HydrophobicContact SD-CG 4.16Å; L127-N129 VanDerWaalsContact C-N 3.31Å; L127-N129 PolarHBondContact O-N 3.15Å; L127-Q130 PolarHBondContact N-O 3.45Å; L127-Q130 PolarHBondContact O-N 3.44Å; L127-F132 HydrophobicContact CB-CE2 3.98Å |
| 128 | S | 81.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 100 Ų | 100 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 50.9 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | Q130 | S128-Q130 PolarHBondContact O-N 2.89Š|
| 129 | N | 84.2 | Confident | 86.4 | Confident | 153 Ų | 153 | 99.3 Ų | 99.3 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 4.8 | -177.7 | -62.5 | -16.3 | 0 | 0 | 0 | 116.9 | L127 | L127-N129 VanDerWaalsContact C-N 3.31Å; L127-N129 PolarHBondContact O-N 3.15Å |
| 130 | Q | 87.7 | Confident | 87.1 | Confident | 106 Ų | 106 | 97.9 Ų | 97.9 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.2 | 172.4 | -64 | -178.2 | -4.5 | 0 | 0 | 109.7 | R126 L127 S128 F132 | R126-Q130 CarbonylContact C-O 3.53Å; R126-Q130 VanDerWaalsContact CA-O 3.28Å; R126-Q130 WeakPolarHBondContact CA-O 3.4Å; L127-Q130 PolarHBondContact N-O 3.45Å; L127-Q130 PolarHBondContact O-N 3.44Å; S128-Q130 PolarHBondContact O-N 2.89Å; Q130-F132 HydrophobicContact CB-CE2 3.78Å; Q130-F132 HydrophobicContact CB-CZ 4.11Å |
| 131 | A | 89.6 | Confident | 88.1 | Confident | 25 Ų | 25 | 93.4 Ų | 93.4 | 21% | 0.207 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M125 R126 T141 E142 | M125-A131 CarbonylContact O-C 3.44Å; R126-A131 HydrophobicContact CG-CB 4.22Å; A131-T141 CarbonylContact O-C 3.58Å; A131-E142 HydrophobicContact CB-CB 3.82Å; A131-E142 HydrophobicContact CB-CG 4.48Å; A131-E142 WeakPolarHBondContact O-CB 3.31Å; A131-E142 PolarHBondContact O-N 2.75Å |
| 132 | F | 91.8 | Very high | 88.1 | Confident | 38 Ų | 38 | 94 Ų | 94 | 17% | 0.167 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139 | 178.5 | -62.8 | -96 | 0 | 0 | 0 | 109.1 | R124 M125 L127 Q130 W139 T140 T141 | R124-F132 CarbonylContact C-O 3.54Å; R124-F132 VanDerWaalsContact CA-O 3.22Å; R124-F132 WeakPolarHBondContact CA-O 3.43Å; M125-F132 PolarHBondContact N-O 3.18Å; M125-F132 PolarHBondContact O-N 2.97Å; L127-F132 HydrophobicContact CB-CE2 3.98Å; Q130-F132 HydrophobicContact CB-CE2 3.78Å; Q130-F132 HydrophobicContact CB-CZ 4.11Å; F132-W139 HydrophobicContact CB-CE3 3.83Å; F132-W139 HydrophobicContact CB-CZ3 4.46Å; F132-T140 CarbonylContact C-O 3.55Å; F132-T140 WeakPolarHBondContact CA-O 3.35Å; F132-T141 HydrophobicContact CD1-CG2 3.76Å; F132-T141 HydrophobicContact CE1-CG2 3.3Å; F132-T141 HydrophobicContact CZ-CG2 3.93Å |
| 133 | V | 93.5 | Very high | 87.6 | Confident | 3 Ų | 3 | 94.5 Ų | 94.5 | 2% | 0.018 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.7 | 172.4 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | A122 P123 R124 R135 T140 E142 | A122-V133 HydrophobicContact CB-CG1 3.49Å; A122-V133 VanDerWaalsContact CB-CG1 3.49Å; P123-V133 WeakPolarHBondContact O-CA 3.28Å; R124-V133 HydrophobicContact CG-CG1 4.36Å; R124-V133 HydrophobicContact CG-CG2 3.98Å; V133-R135 HydrophobicContact CB-CG 4.44Å; V133-R135 HydrophobicContact CG1-CG 3.97Å; V133-R135 PolarHBondContact O-N 3.34Å; V133-T140 PolarHBondContact N-O 3.04Å; V133-T140 PolarHBondContact O-N 3.41Å; V133-T140 PolarHBondContact O-OG1 2.98Å; V133-E142 HydrophobicContact CG2-CB 3.81Å; V133-E142 VanDerWaalsContact CG2-CD 3.44Å; V133-E142 HydrophobicContact CG2-CG 3.94Å |
| 134 | F | 90.1 | Very high | 85.9 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114.2 | 173.8 | -174.2 | -103.4 | 0 | 0 | 0 | 110.6 | P123 G137 R138 W139 | P123-F134 HydrophobicContact CB-CB 3.95Å; P123-F134 HydrophobicContact CG-CB 4.22Å; P123-F134 HydrophobicContact CG-CD1 4.39Å; P123-F134 PolarHBondContact O-N 3.26Å; F134-G137 VanDerWaalsContact CZ-CA 3.43Å; F134-R138 WeakPolarHBondContact CA-O 3.35Å; F134-W139 HydrophobicContact CB-CD2 4.31Å; F134-W139 HydrophobicContact CB-CE3 4.05Å; F134-W139 HydrophobicContact CB-CH2 4.23Å; F134-W139 HydrophobicContact CB-CZ2 4.46Å; F134-W139 HydrophobicContact CB-CZ3 4.01Å; F134-W139 HydrophobicContact CD2-CD2 4.22Å; F134-W139 HydrophobicContact CD2-CG 4.4Å |
| 135 | R | 89.3 | Confident | 84.1 | Confident | 147 Ų | 147 | 96 Ų | 96 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.8 | 179.5 | -60.3 | -175 | -175.6 | -86.6 | 1.2 | 109.4 | V133 G137 R138 | V133-R135 HydrophobicContact CB-CG 4.44Å; V133-R135 HydrophobicContact CG1-CG 3.97Å; V133-R135 PolarHBondContact O-N 3.34Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.46Å; R135-R138 PolarHBondContact N-O 2.93Å; R135-R138 PolarHBondContact O-N 3.45Å; R135-R138 VanDerWaalsContact O-N 3.13Å; R135-R138 VanDerWaalsContact O-O 3.06Å |
| 136 | G | 84.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 90% | 0.897 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R138 | G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 3.24Å |
| 137 | G | 89.2 | Confident | 80.3 | Confident | 56 Ų | 56 | 98.9 Ų | 98.9 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 3.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F134 R135 | F134-G137 VanDerWaalsContact CZ-CA 3.43Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.46Å |
| 138 | R | 90.4 | Very high | 78.4 | Confident | 197 Ų | 197 | 100.6 Ų | 100.6 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.8 | -177.5 | -66.8 | 179.2 | 178 | -102 | 0.2 | 112.1 | F134 R135 G136 | F134-R138 WeakPolarHBondContact CA-O 3.35Å; R135-R138 PolarHBondContact N-O 2.93Å; R135-R138 PolarHBondContact O-N 3.45Å; R135-R138 VanDerWaalsContact O-N 3.13Å; R135-R138 VanDerWaalsContact O-O 3.06Å; G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 3.24Å |
| 139 | W | 92.1 | Very high | 76.5 | Confident | 126 Ų | 126 | 107 Ų | 107 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.5 | 171 | -69.1 | 100.1 | 0 | 0 | 0 | 110.1 | P123 M125 F132 F134 | P123-W139 HydrophobicContact CB-CH2 4.23Å; M125-W139 HydrophobicContact CB-CE3 4.41Å; M125-W139 HydrophobicContact CB-CH2 3.89Å; M125-W139 HydrophobicContact CB-CZ3 3.69Å; M125-W139 HydrophobicContact CE-CD2 4.34Å; M125-W139 HydrophobicContact CE-CE3 4.43Å; M125-W139 HydrophobicContact CE-CZ2 4.43Å; F132-W139 HydrophobicContact CB-CE3 3.83Å; F132-W139 HydrophobicContact CB-CZ3 4.46Å; F134-W139 HydrophobicContact CB-CD2 4.31Å; F134-W139 HydrophobicContact CB-CE3 4.05Å; F134-W139 HydrophobicContact CB-CH2 4.23Å; F134-W139 HydrophobicContact CB-CZ2 4.46Å; F134-W139 HydrophobicContact CB-CZ3 4.01Å; F134-W139 HydrophobicContact CD2-CD2 4.22Å; F134-W139 HydrophobicContact CD2-CG 4.4Å |
| 140 | T | 88.6 | Confident | 74.5 | Confident | 60 Ų | 60 | 102.6 Ų | 102.6 | 37% | 0.368 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.4 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | F132 V133 E142 | F132-T140 CarbonylContact C-O 3.55Å; F132-T140 WeakPolarHBondContact CA-O 3.35Å; V133-T140 PolarHBondContact N-O 3.04Å; V133-T140 PolarHBondContact O-N 3.41Å; V133-T140 PolarHBondContact O-OG1 2.98Å; T140-E142 PolarHBondContact O-N 2.94Å |
| 141 | T | 88.4 | Confident | 72.8 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 56% | 0.564 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.7 | 177.6 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | A131 F132 G143 | A131-T141 CarbonylContact O-C 3.58Å; F132-T141 HydrophobicContact CD1-CG2 3.76Å; F132-T141 HydrophobicContact CE1-CG2 3.3Å; F132-T141 HydrophobicContact CZ-CG2 3.93Å; T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.93Å |
| 142 | E | 79 | Confident | 70.9 | Confident | 76 Ų | 76 | 107 Ų | 107 | 36% | 0.355 | 58% | 0.581 | S | S | . | * | trans | -79.4 | 80.8 | 174.1 | -169.4 | 164.8 | -141.7 | 0 | 0 | 108.9 | R124 A131 V133 T140 | R124-E142 IonicContact CZ-OE1 3.21Å; R124-E142 IonicContact CZ-OE2 3.91Å; R124-E142 IonicContact NE-OE1 3.06Å; R124-E142 PolarHBondContact NE-OE1 3.02Å; R124-E142 IonicContact NE-OE2 3.16Å; R124-E142 PolarHBondContact NE-OE2 3.26Å; R124-E142 VanDerWaalsContact NE-OE2 3.16Å; R124-E142 IonicContact NH2-OE1 2.64Å; R124-E142 PolarHBondContact NH2-OE1 3.28Å; A131-E142 HydrophobicContact CB-CB 3.82Å; A131-E142 HydrophobicContact CB-CG 4.48Å; A131-E142 WeakPolarHBondContact O-CB 3.31Å; A131-E142 PolarHBondContact O-N 2.75Å; V133-E142 HydrophobicContact CG2-CB 3.81Å; V133-E142 VanDerWaalsContact CG2-CD 3.44Å; V133-E142 HydrophobicContact CG2-CG 3.94Å; T140-E142 PolarHBondContact O-N 2.94Å | ||
| 143 | G | 72.5 | Confident | 68.7 | Low | 45 Ų | 45 | 111.7 Ų | 111.7 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | trans | -95.2 | 149.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T141 L145 | T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.93Å; G143-L145 PolarHBondContact O-N 3Å | ||
| 144 | P | 54.6 | Low | 66.6 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 92% | 0.922 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -66.4 | 7 | -178.6 | -18 | 30.9 | 0 | 0 | 0 | 116.2 | ||
| 145 | L | 49.6 | Very low | 64.6 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | trans | -130.6 | 51.9 | -165.4 | -145.9 | 77.4 | 0 | 0 | 0 | 112.3 | G143 R147 | G143-L145 PolarHBondContact O-N 3Å; L145-R147 PolarHBondContact O-N 2.93Å | ||
| 146 | A | 50 | Low | 62.7 | Low | 101 Ų | 101 | 117.3 Ų | 117.3 | 84% | 0.835 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -80.8 | 13.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 147 | R | 50.5 | Low | 61.2 | Low | 215 Ų | 215 | 116.2 Ų | 116.2 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -137 | 126.8 | 168.1 | -64.6 | -166.5 | -176.5 | 127.7 | 0.5 | 108.9 | L145 | L145-R147 PolarHBondContact O-N 2.93Š|
| 148 | T | 50.4 | Low | 59.7 | Low | 126 Ų | 126 | 116.7 Ų | 116.7 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 66.5 | 110.9 | 175.5 | 38 | 0 | 0 | 0 | 0 | 117.5 | ||
| 149 | R | 41.5 | Very low | 58.2 | Low | 241 Ų | 241 | 109.9 Ų | 109.9 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | trans | 91.8 | 87.8 | 148.5 | -143.1 | 175.4 | -171.6 | 178.8 | 1.5 | 118 | ||||
| 150 | S | 41.9 | Very low | 56.6 | Low | 62 Ų | 62 | 112.3 Ų | 112.3 | 43% | 0.434 | 62% | 0.618 | S | S | . | * | 145.2 | 118.4 | 114.1 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | L152 | S150-L152 PolarHBondContact O-N 2.59Å; S150-L152 PolarHBondContact OG-N 3.38Å | |||
| 151 | P | 52.7 | Low | 55.4 | Low | 116 Ų | 116 | 117.1 Ų | 117.1 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -75.5 | -0.7 | 169 | -7.5 | 24.2 | 0 | 0 | 0 | 114 | ||
| 152 | L | 49.1 | Very low | 54.4 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -90 | -29.7 | -163.4 | -77.1 | 146.5 | 0 | 0 | 0 | 114.7 | S150 | S150-L152 PolarHBondContact O-N 2.59Å; S150-L152 PolarHBondContact OG-N 3.38Å |
| 153 | L | 45.9 | Very low | 54.2 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -87.6 | -23.2 | -174.9 | -64.5 | 176.6 | 0 | 0 | 0 | 113.9 | R155 T156 | L153-R155 VanDerWaalsContact C-N 3.33Å; L153-T156 PolarHBondContact O-OG1 3.42Å |
| 154 | S | 48.2 | Very low | 54.2 | Low | 96 Ų | 96 | 117.5 Ų | 117.5 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.9 | -19.5 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 113 | S158 | S154-S158 WeakPolarHBondContact O-CB 3.32Å; S154-S158 PolarHBondContact O-N 2.89Å; S154-S158 PolarHBondContact O-OG 3.37Å |
| 155 | R | 47.7 | Very low | 55.1 | Low | 175 Ų | 175 | 117.3 Ų | 117.3 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.5 | -31.3 | -178.9 | -173.8 | 151.9 | 64.1 | 161.3 | 0.5 | 113 | L153 S158 S159 | L153-R155 VanDerWaalsContact C-N 3.33Å; R155-S158 WeakPolarHBondContact CA-OG 3.28Å; R155-S158 PolarHBondContact O-OG 3.04Å; R155-S158 VanDerWaalsContact O-OG 3.1Å; R155-S159 VanDerWaalsContact O-CB 3.32Å; R155-S159 WeakPolarHBondContact O-CB 3.46Å; R155-S159 PolarHBondContact O-N 3.24Å |
| 156 | T | 50.6 | Low | 56.6 | Low | 77 Ų | 77 | 117.4 Ų | 117.4 | 47% | 0.472 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.1 | -46.7 | -176.3 | 58 | 0 | 0 | 0 | 0 | 111.9 | L153 S158 S159 W160 | L153-T156 PolarHBondContact O-OG1 3.42Å; T156-S158 VanDerWaalsContact C-N 3.34Å; T156-S158 PolarHBondContact O-N 3.21Å; T156-S159 PolarHBondContact O-N 2.98Å; T156-S159 PolarHBondContact O-OG 3.49Å; T156-W160 PolarHBondContact O-N 3Å |
| 157 | A | 52.5 | Low | 58 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -32.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K161 | A157-K161 PolarHBondContact O-N 2.92Å |
| 158 | S | 58.1 | Low | 59.6 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.9 | -36 | 171.2 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | S154 R155 T156 W160 K161 A162 | S154-S158 WeakPolarHBondContact O-CB 3.32Å; S154-S158 PolarHBondContact O-N 2.89Å; S154-S158 PolarHBondContact O-OG 3.37Å; R155-S158 WeakPolarHBondContact CA-OG 3.28Å; R155-S158 PolarHBondContact O-OG 3.04Å; R155-S158 VanDerWaalsContact O-OG 3.1Å; T156-S158 VanDerWaalsContact C-N 3.34Å; T156-S158 PolarHBondContact O-N 3.21Å; S158-W160 PolarHBondContact O-N 3.39Å; S158-K161 PolarHBondContact O-N 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.31Å; S158-A162 PolarHBondContact O-N 2.93Å |
| 159 | S | 59.2 | Low | 61.4 | Low | 53 Ų | 53 | 109.4 Ų | 109.4 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 177 | 78.9 | 0 | 0 | 0 | 0 | 112.7 | R155 T156 A162 Q163 | R155-S159 VanDerWaalsContact O-CB 3.32Å; R155-S159 WeakPolarHBondContact O-CB 3.46Å; R155-S159 PolarHBondContact O-N 3.24Å; T156-S159 PolarHBondContact O-N 2.98Å; T156-S159 PolarHBondContact O-OG 3.49Å; S159-A162 PolarHBondContact O-N 3.48Å; S159-Q163 VanDerWaalsContact O-CB 3.26Å; S159-Q163 WeakPolarHBondContact O-CB 3.47Å; S159-Q163 PolarHBondContact O-N 3.46Å |
| 160 | W | 56.5 | Low | 63.8 | Low | 178 Ų | 178 | 102.6 Ų | 102.6 | 67% | 0.674 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 177.5 | -70.6 | 109.7 | 0 | 0 | 0 | 112.4 | T156 S158 Q163 V164 | T156-W160 PolarHBondContact O-N 3Å; S158-W160 PolarHBondContact O-N 3.39Å; W160-Q163 PolarHBondContact O-N 3.08Å; W160-V164 VanDerWaalsContact O-CG2 3.3Å; W160-V164 WeakPolarHBondContact O-CG2 3.31Å; W160-V164 PolarHBondContact O-N 3.16Å |
| 161 | K | 64.4 | Low | 66.2 | Low | 160 Ų | 160 | 103.1 Ų | 103.1 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.8 | -37.7 | 174.7 | -68.1 | -150 | -179.6 | -169.1 | 0 | 112.3 | A157 S158 Q165 | A157-K161 PolarHBondContact O-N 2.92Å; S158-K161 PolarHBondContact O-N 3.3Å; K161-Q165 WeakPolarHBondContact O-CB 3.4Å; K161-Q165 WeakPolarHBondContact O-CG 3.41Å; K161-Q165 PolarHBondContact O-N 3.01Å |
| 162 | A | 68.3 | Low | 68.2 | Low | 39 Ų | 39 | 102.8 Ų | 102.8 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S158 S159 Q165 Q166 | S158-A162 WeakPolarHBondContact O-CB 3.31Å; S158-A162 PolarHBondContact O-N 2.93Å; S159-A162 PolarHBondContact O-N 3.48Å; A162-Q165 PolarHBondContact O-N 3.48Å; A162-Q166 WeakPolarHBondContact O-CB 3.17Å; A162-Q166 VanDerWaalsContact O-CG 3.26Å; A162-Q166 WeakPolarHBondContact O-CG 3.38Å; A162-Q166 PolarHBondContact O-N 3.24Å |
| 163 | Q | 73.2 | Confident | 70.4 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 177.6 | -170.8 | 134.4 | -18.5 | 0 | 0 | 112.2 | S159 W160 Q165 Q166 T167 | S159-Q163 VanDerWaalsContact O-CB 3.26Å; S159-Q163 WeakPolarHBondContact O-CB 3.47Å; S159-Q163 PolarHBondContact O-N 3.46Å; W160-Q163 PolarHBondContact O-N 3.08Å; Q163-Q165 VanDerWaalsContact C-N 3.28Å; Q163-Q165 PolarHBondContact O-N 3.41Å; Q163-Q166 PolarHBondContact O-N 3.33Å; Q163-T167 WeakPolarHBondContact O-CG2 3.49Å; Q163-T167 PolarHBondContact O-N 3.4Å; Q163-T167 PolarHBondContact O-OG1 2.86Å |
| 164 | V | 73.8 | Confident | 72.7 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -31.6 | 173.6 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | W160 T167 K168 | W160-V164 VanDerWaalsContact O-CG2 3.3Å; W160-V164 WeakPolarHBondContact O-CG2 3.31Å; W160-V164 PolarHBondContact O-N 3.16Å; V164-T167 WeakPolarHBondContact CA-OG1 3.38Å; V164-T167 PolarHBondContact O-OG1 3Å; V164-K168 HydrophobicContact CG1-CD 4.36Å; V164-K168 WeakPolarHBondContact O-CD 3.3Å; V164-K168 VanDerWaalsContact O-CG 3.22Å; V164-K168 WeakPolarHBondContact O-CG 3.48Å; V164-K168 PolarHBondContact O-N 3.23Å |
| 165 | Q | 72.9 | Confident | 75 | Confident | 138 Ų | 138 | 102 Ų | 102 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.6 | -37.5 | 172.6 | -79.2 | 179.3 | -31.2 | 0 | 0 | 112.3 | K161 A162 Q163 K168 S169 | K161-Q165 WeakPolarHBondContact O-CB 3.4Å; K161-Q165 WeakPolarHBondContact O-CG 3.41Å; K161-Q165 PolarHBondContact O-N 3.01Å; A162-Q165 PolarHBondContact O-N 3.48Å; Q163-Q165 VanDerWaalsContact C-N 3.28Å; Q163-Q165 PolarHBondContact O-N 3.41Å; Q165-K168 PolarHBondContact O-N 2.9Å; Q165-S169 VanDerWaalsContact O-CB 3.3Å; Q165-S169 WeakPolarHBondContact O-CB 3.23Å; Q165-S169 PolarHBondContact O-N 2.91Å |
| 166 | Q | 80.6 | Confident | 77.4 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 175.6 | -78.4 | 175.6 | 1.5 | 0 | 0 | 111.4 | A162 Q163 S169 Q170 | A162-Q166 WeakPolarHBondContact O-CB 3.17Å; A162-Q166 VanDerWaalsContact O-CG 3.26Å; A162-Q166 WeakPolarHBondContact O-CG 3.38Å; A162-Q166 PolarHBondContact O-N 3.24Å; Q163-Q166 PolarHBondContact O-N 3.33Å; Q166-S169 PolarHBondContact O-N 3.4Å; Q166-Q170 WeakPolarHBondContact O-CB 3.35Å; Q166-Q170 PolarHBondContact O-N 2.9Å |
| 167 | T | 80.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 98.6 Ų | 98.6 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 112 | Q163 V164 Q170 V171 | Q163-T167 WeakPolarHBondContact O-CG2 3.49Å; Q163-T167 PolarHBondContact O-N 3.4Å; Q163-T167 PolarHBondContact O-OG1 2.86Å; V164-T167 WeakPolarHBondContact CA-OG1 3.38Å; V164-T167 PolarHBondContact O-OG1 3Å; T167-Q170 WeakPolarHBondContact O-CB 3.12Å; T167-Q170 PolarHBondContact O-N 2.86Å; T167-V171 WeakPolarHBondContact O-CG2 3.4Å; T167-V171 PolarHBondContact O-N 2.83Å |
| 168 | K | 84.3 | Confident | 81.8 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 173.7 | -72.3 | 173.7 | -177.7 | -173.9 | 0 | 112.2 | V164 Q165 Q170 V171 L172 | V164-K168 HydrophobicContact CG1-CD 4.36Å; V164-K168 WeakPolarHBondContact O-CD 3.3Å; V164-K168 VanDerWaalsContact O-CG 3.22Å; V164-K168 WeakPolarHBondContact O-CG 3.48Å; V164-K168 PolarHBondContact O-N 3.23Å; Q165-K168 PolarHBondContact O-N 2.9Å; K168-Q170 VanDerWaalsContact C-N 3.28Å; K168-Q170 PolarHBondContact O-N 3.39Å; K168-V171 PolarHBondContact O-N 3.44Å; K168-L172 WeakPolarHBondContact O-CG 3.35Å; K168-L172 PolarHBondContact O-N 2.93Å; K168-L172 VanDerWaalsContact O-N 3.08Å |
| 169 | S | 86.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | Q165 Q166 L173 | Q165-S169 VanDerWaalsContact O-CB 3.3Å; Q165-S169 WeakPolarHBondContact O-CB 3.23Å; Q165-S169 PolarHBondContact O-N 2.91Å; Q166-S169 PolarHBondContact O-N 3.4Å; S169-L173 WeakPolarHBondContact O-CB 3.37Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.14Å; S169-L173 PolarHBondContact O-N 2.61Å |
| 170 | Q | 92.4 | Very high | 85.6 | Confident | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 177.4 | -177.1 | 61.7 | 25.8 | 0 | 0 | 111.5 | Q166 T167 K168 L172 L173 E174 | Q166-Q170 WeakPolarHBondContact O-CB 3.35Å; Q166-Q170 PolarHBondContact O-N 2.9Å; T167-Q170 WeakPolarHBondContact O-CB 3.12Å; T167-Q170 PolarHBondContact O-N 2.86Å; K168-Q170 VanDerWaalsContact C-N 3.28Å; K168-Q170 PolarHBondContact O-N 3.39Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; Q170-L172 PolarHBondContact O-N 2.9Å; Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.12Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; Q170-E174 PolarHBondContact NE2-OE1 2.92Å; Q170-E174 WeakPolarHBondContact O-CG 3.33Å; Q170-E174 PolarHBondContact O-N 3.28Å |
| 171 | V | 92.6 | Very high | 87.6 | Confident | 73 Ų | 73 | 103.2 Ų | 103.2 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | T167 K168 L173 E174 E175 | T167-V171 WeakPolarHBondContact O-CG2 3.4Å; T167-V171 PolarHBondContact O-N 2.83Å; K168-V171 PolarHBondContact O-N 3.44Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 2.71Å; V171-E174 PolarHBondContact O-N 3.32Å; V171-E175 WeakPolarHBondContact O-CG 3.36Å; V171-E175 PolarHBondContact O-N 3.1Å |
| 172 | L | 95.3 | Very high | 89.2 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -33.1 | 177.1 | -70.1 | 173.1 | 0 | 0 | 0 | 113 | K168 Q170 N176 | K168-L172 WeakPolarHBondContact O-CG 3.35Å; K168-L172 PolarHBondContact O-N 2.93Å; K168-L172 VanDerWaalsContact O-N 3.08Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; Q170-L172 PolarHBondContact O-N 2.9Å; L172-N176 VanDerWaalsContact O-CB 3.27Å; L172-N176 WeakPolarHBondContact O-CB 3.24Å; L172-N176 PolarHBondContact O-N 3.4Å |
| 173 | L | 95.6 | Very high | 90.7 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 175.1 | -76.7 | 169.2 | 0 | 0 | 0 | 111.8 | S169 Q170 V171 N176 N177 | S169-L173 WeakPolarHBondContact O-CB 3.37Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.14Å; S169-L173 PolarHBondContact O-N 2.61Å; Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.12Å; Q170-L173 VanDerWaalsContact O-N 3.13Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 2.71Å; L173-N176 PolarHBondContact O-N 2.87Å; L173-N177 WeakPolarHBondContact O-CB 3.1Å; L173-N177 PolarHBondContact O-N 2.76Å |
| 174 | E | 94.4 | Very high | 91.8 | Very high | 110 Ų | 110 | 104.9 Ų | 104.9 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 176.4 | -72 | 169.5 | -165.8 | 0 | 0 | 111.4 | Q170 V171 N176 N177 Y178 | Q170-E174 PolarHBondContact NE2-OE1 2.92Å; Q170-E174 WeakPolarHBondContact O-CG 3.33Å; Q170-E174 PolarHBondContact O-N 3.28Å; V171-E174 PolarHBondContact O-N 3.32Å; E174-N176 VanDerWaalsContact C-N 3.33Å; E174-N176 PolarHBondContact O-N 3.06Å; E174-N177 PolarHBondContact O-N 3.39Å; E174-Y178 PolarHBondContact O-N 2.8Å |
| 175 | E | 96.1 | Very high | 93 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 173 | -71.2 | 179.5 | 173.3 | 0 | 0 | 111.6 | V171 N177 Y178 L179 | V171-E175 WeakPolarHBondContact O-CG 3.36Å; V171-E175 PolarHBondContact O-N 3.1Å; E175-N177 VanDerWaalsContact C-N 3.33Å; E175-N177 PolarHBondContact O-N 3.03Å; E175-Y178 PolarHBondContact O-N 2.95Å; E175-L179 WeakPolarHBondContact O-CG 2.91Å; E175-L179 PolarHBondContact O-N 3.45Å |
| 176 | N | 97.7 | Very high | 94.2 | Very high | 76 Ų | 76 | 104.5 Ų | 104.5 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.2 | -166.7 | -98.3 | 0 | 0 | 0 | 112.3 | L172 L173 E174 K180 | L172-N176 VanDerWaalsContact O-CB 3.27Å; L172-N176 WeakPolarHBondContact O-CB 3.24Å; L172-N176 PolarHBondContact O-N 3.4Å; L173-N176 PolarHBondContact O-N 2.87Å; E174-N176 VanDerWaalsContact C-N 3.33Å; E174-N176 PolarHBondContact O-N 3.06Å; N176-K180 WeakPolarHBondContact O-CG 3.46Å; N176-K180 PolarHBondContact O-N 3.08Å; N176-K180 WeakPolarHBondContact OD1-CE 3.44Å; N176-K180 PolarHBondContact OD1-NZ 3.27Å; N176-K180 VanDerWaalsContact OD1-NZ 3.17Å |
| 177 | N | 97.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -46 | 175.9 | -169.1 | -61.6 | 0 | 0 | 0 | 111.1 | L173 E174 E175 L179 K180 L181 | L173-N177 WeakPolarHBondContact O-CB 3.1Å; L173-N177 PolarHBondContact O-N 2.76Å; E174-N177 PolarHBondContact O-N 3.39Å; E175-N177 VanDerWaalsContact C-N 3.33Å; E175-N177 PolarHBondContact O-N 3.03Å; N177-L179 VanDerWaalsContact C-N 3.35Å; N177-L179 PolarHBondContact O-N 3.38Å; N177-K180 WeakPolarHBondContact O-CB 3.15Å; N177-K180 PolarHBondContact O-N 3.34Å; N177-L181 PolarHBondContact O-N 2.94Å |
| 178 | Y | 98.2 | Very high | 96 | Very high | 142 Ų | 142 | 104.6 Ų | 104.6 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.7 | -46.3 | 176.3 | -179 | -104 | 0 | 0 | 0 | 112.1 | E174 E175 K180 L181 Q182 | E174-Y178 PolarHBondContact O-N 2.8Å; E175-Y178 PolarHBondContact O-N 2.95Å; Y178-K180 VanDerWaalsContact C-N 3.35Å; Y178-K180 PolarHBondContact O-N 3.45Å; Y178-L181 PolarHBondContact O-N 3.48Å; Y178-Q182 HydrophobicContact CD1-CG 4.29Å; Y178-Q182 HydrophobicContact CE1-CG 3.9Å; Y178-Q182 HydrophobicContact CE2-CG 4.45Å; Y178-Q182 WeakPolarHBondContact O-CG 3.31Å; Y178-Q182 PolarHBondContact O-N 3.34Å; Y178-Q182 PolarHBondContact OH-NE2 3.19Å; Y178-Q182 VanDerWaalsContact OH-NE2 3.12Å |
| 179 | L | 98.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.1 | -71.4 | 172.2 | 0 | 0 | 0 | 112.5 | E175 N177 Q182 Q183 | E175-L179 WeakPolarHBondContact O-CG 2.91Å; E175-L179 PolarHBondContact O-N 3.45Å; N177-L179 VanDerWaalsContact C-N 3.35Å; N177-L179 PolarHBondContact O-N 3.38Å; L179-Q182 PolarHBondContact O-N 2.9Å; L179-Q183 PolarHBondContact O-N 2.92Å |
| 180 | K | 98.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 105.9 Ų | 105.9 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 174.7 | -78.8 | 173.6 | 176.9 | 168 | 0 | 111.4 | N176 N177 Y178 Q182 Q183 E184 | N176-K180 WeakPolarHBondContact O-CG 3.46Å; N176-K180 PolarHBondContact O-N 3.08Å; N176-K180 WeakPolarHBondContact OD1-CE 3.44Å; N176-K180 PolarHBondContact OD1-NZ 3.27Å; N176-K180 VanDerWaalsContact OD1-NZ 3.17Å; N177-K180 WeakPolarHBondContact O-CB 3.15Å; N177-K180 PolarHBondContact O-N 3.34Å; Y178-K180 VanDerWaalsContact C-N 3.35Å; Y178-K180 PolarHBondContact O-N 3.45Å; K180-Q182 VanDerWaalsContact C-N 3.33Å; K180-Q182 PolarHBondContact O-N 3.33Å; K180-Q183 PolarHBondContact O-N 2.98Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; K180-E184 WeakPolarHBondContact O-CG 3.28Å; K180-E184 PolarHBondContact O-N 3.47Å |
| 181 | L | 98.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 105.1 Ų | 105.1 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 178.6 | -172.7 | 131.1 | 0 | 0 | 0 | 112 | N177 Y178 Q183 E184 L185 | N177-L181 PolarHBondContact O-N 2.94Å; Y178-L181 PolarHBondContact O-N 3.48Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.98Å; L181-E184 PolarHBondContact O-N 2.89Å; L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 3.31Å |
| 182 | Q | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 106.3 Ų | 106.3 | 42% | 0.416 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 172.5 | -74.9 | -173 | -45 | 0 | 0 | 112.2 | Y178 L179 K180 L186 | Y178-Q182 HydrophobicContact CD1-CG 4.29Å; Y178-Q182 HydrophobicContact CE1-CG 3.9Å; Y178-Q182 HydrophobicContact CE2-CG 4.45Å; Y178-Q182 WeakPolarHBondContact O-CG 3.31Å; Y178-Q182 PolarHBondContact O-N 3.34Å; Y178-Q182 PolarHBondContact OH-NE2 3.19Å; Y178-Q182 VanDerWaalsContact OH-NE2 3.12Å; L179-Q182 PolarHBondContact O-N 2.9Å; K180-Q182 VanDerWaalsContact C-N 3.33Å; K180-Q182 PolarHBondContact O-N 3.33Å; Q182-L186 WeakPolarHBondContact O-CB 3.45Å; Q182-L186 PolarHBondContact O-N 2.93Å |
| 183 | Q | 98.1 | Very high | 97.9 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.2 | -44.5 | 178.1 | -175.2 | 177 | 0.7 | 0 | 0 | 111.7 | L179 K180 L181 L186 M187 | L179-Q183 PolarHBondContact O-N 2.92Å; K180-Q183 PolarHBondContact O-N 2.98Å; K180-Q183 VanDerWaalsContact O-N 3.15Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 2.98Å; Q183-L186 PolarHBondContact O-N 3.3Å; Q183-M187 VanDerWaalsContact O-CG 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.38Å; Q183-M187 PolarHBondContact O-N 2.85Å |
| 184 | E | 98.1 | Very high | 98 | Very high | 123 Ų | 123 | 104 Ų | 104 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -48.3 | 176.6 | -74.1 | 174.1 | -177.6 | 0 | 0 | 111.2 | K180 L181 L186 M187 D188 | K180-E184 WeakPolarHBondContact O-CG 3.28Å; K180-E184 PolarHBondContact O-N 3.47Å; L181-E184 PolarHBondContact O-N 2.89Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.46Å; E184-M187 PolarHBondContact O-N 3.35Å; E184-D188 PolarHBondContact O-N 3.31Å |
| 185 | L | 98.5 | Very high | 98.1 | Very high | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.9 | 179.5 | 64.8 | 0 | 0 | 0 | 112 | L181 D188 M189 | L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 3.31Å; L185-D188 PolarHBondContact O-N 2.9Å; L185-M189 HydrophobicContact CD1-CG 4.34Å; L185-M189 HydrophobicContact CD1-SD 4.48Å; L185-M189 HydrophobicContact CG-CG 4.49Å; L185-M189 HydrophobicContact CG-SD 4.24Å; L185-M189 WeakPolarHBondContact O-CB 3.47Å; L185-M189 VanDerWaalsContact O-CG 3.28Å; L185-M189 WeakPolarHBondContact O-CG 3.39Å; L185-M189 PolarHBondContact O-N 2.81Å |
| 186 | L | 98.7 | Very high | 98.1 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 178.5 | -178.8 | 62.1 | 0 | 0 | 0 | 111.3 | Q182 Q183 E184 M189 M190 | Q182-L186 WeakPolarHBondContact O-CB 3.45Å; Q182-L186 PolarHBondContact O-N 2.93Å; Q183-L186 PolarHBondContact O-N 3.3Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.46Å; L186-M189 PolarHBondContact O-N 3.14Å; L186-M190 HydrophobicContact CD1-CG 4.34Å; L186-M190 HydrophobicContact CD1-SD 4.38Å; L186-M190 HydrophobicContact CG-SD 4.21Å; L186-M190 WeakPolarHBondContact O-CB 3.38Å; L186-M190 VanDerWaalsContact O-CG 3.28Å; L186-M190 WeakPolarHBondContact O-CG 3.42Å; L186-M190 PolarHBondContact O-N 2.64Å |
| 187 | M | 98.8 | Very high | 98 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 50% | 0.502 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 175.6 | -71.6 | -56.6 | -57.4 | 0 | 0 | 110.8 | Q183 E184 M189 M190 T191 | Q183-M187 VanDerWaalsContact O-CG 3.3Å; Q183-M187 WeakPolarHBondContact O-CG 3.38Å; Q183-M187 PolarHBondContact O-N 2.85Å; E184-M187 PolarHBondContact O-N 3.35Å; M187-M189 PolarHBondContact O-N 2.81Å; M187-M190 PolarHBondContact O-N 2.93Å; M187-T191 WeakPolarHBondContact O-CB 3.44Å; M187-T191 PolarHBondContact O-N 2.91Å; M187-T191 PolarHBondContact O-OG1 3.37Å |
| 188 | D | 98.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 103 Ų | 103 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 177.8 | -76.2 | -10.9 | 0 | 0 | 0 | 111.7 | E184 L185 M190 T191 E192 | E184-D188 PolarHBondContact O-N 3.31Å; L185-D188 PolarHBondContact O-N 2.9Å; D188-M190 PolarHBondContact O-N 2.83Å; D188-T191 PolarHBondContact O-N 3.43Å; D188-E192 WeakPolarHBondContact O-CB 3.49Å; D188-E192 PolarHBondContact O-N 2.9Å |
| 189 | M | 98.7 | Very high | 97.7 | Very high | 111 Ų | 111 | 100.7 Ų | 100.7 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177 | -75.9 | -176.2 | 64.1 | 0 | 0 | 112.5 | L185 L186 M187 A193 | L185-M189 HydrophobicContact CD1-CG 4.34Å; L185-M189 HydrophobicContact CD1-SD 4.48Å; L185-M189 HydrophobicContact CG-CG 4.49Å; L185-M189 HydrophobicContact CG-SD 4.24Å; L185-M189 WeakPolarHBondContact O-CB 3.47Å; L185-M189 VanDerWaalsContact O-CG 3.28Å; L185-M189 WeakPolarHBondContact O-CG 3.39Å; L185-M189 PolarHBondContact O-N 2.81Å; L186-M189 PolarHBondContact O-N 3.14Å; M187-M189 PolarHBondContact O-N 2.81Å; M189-A193 VanDerWaalsContact O-CB 3.31Å; M189-A193 WeakPolarHBondContact O-CB 3.48Å; M189-A193 PolarHBondContact O-N 3.22Å |
| 190 | M | 98.4 | Very high | 97.4 | Very high | 111 Ų | 111 | 101.2 Ų | 101.2 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 176.9 | -71.9 | -178.2 | 73.4 | 0 | 0 | 111.6 | L186 M187 D188 A193 M194 | L186-M190 HydrophobicContact CD1-CG 4.34Å; L186-M190 HydrophobicContact CD1-SD 4.38Å; L186-M190 HydrophobicContact CG-SD 4.21Å; L186-M190 WeakPolarHBondContact O-CB 3.38Å; L186-M190 VanDerWaalsContact O-CG 3.28Å; L186-M190 WeakPolarHBondContact O-CG 3.42Å; L186-M190 PolarHBondContact O-N 2.64Å; M187-M190 PolarHBondContact O-N 2.93Å; D188-M190 PolarHBondContact O-N 2.83Å; M190-A193 PolarHBondContact O-N 2.79Å; M190-M194 WeakPolarHBondContact O-CB 3.48Å; M190-M194 PolarHBondContact O-N 2.94Å |
| 191 | T | 98.3 | Very high | 97 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.4 | -40.5 | 0 | 0 | 0 | 0 | 110.6 | M187 D188 M194 A195 | M187-T191 WeakPolarHBondContact O-CB 3.44Å; M187-T191 PolarHBondContact O-N 2.91Å; M187-T191 PolarHBondContact O-OG1 3.37Å; D188-T191 PolarHBondContact O-N 3.43Å; T191-M194 PolarHBondContact O-N 3.47Å; T191-A195 WeakPolarHBondContact O-CB 3.28Å; T191-A195 PolarHBondContact O-N 3.48Å |
| 192 | E | 97.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 102.6 Ų | 102.6 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 173.6 | -175.4 | 178 | -160.7 | 0 | 0 | 111.8 | D188 M194 A195 R196 | D188-E192 WeakPolarHBondContact O-CB 3.49Å; D188-E192 PolarHBondContact O-N 2.9Å; E192-M194 VanDerWaalsContact C-N 3.29Å; E192-M194 PolarHBondContact O-N 3.24Å; E192-A195 PolarHBondContact O-N 3.36Å; E192-R196 VanDerWaalsContact CD-NH2 3.26Å; E192-R196 HydrophobicContact CG-CG 4.49Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 VanDerWaalsContact O-CG 3.31Å; E192-R196 WeakPolarHBondContact O-CG 3.27Å; E192-R196 PolarHBondContact O-N 3.11Å; E192-R196 IonicContact OE1-CZ 3.63Å; E192-R196 IonicContact OE1-NE 2.61Å; E192-R196 PolarHBondContact OE1-NE 3.46Å; E192-R196 IonicContact OE1-NH2 3.31Å; E192-R196 PolarHBondContact OE1-NH2 2.92Å; E192-R196 IonicContact OE2-NH2 3.2Å |
| 193 | A | 97.9 | Very high | 95.6 | Very high | 56 Ų | 56 | 105.2 Ų | 105.2 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M189 M190 R196 M197 | M189-A193 VanDerWaalsContact O-CB 3.31Å; M189-A193 WeakPolarHBondContact O-CB 3.48Å; M189-A193 PolarHBondContact O-N 3.22Å; M190-A193 PolarHBondContact O-N 2.79Å; A193-R196 PolarHBondContact O-N 3.37Å; A193-M197 WeakPolarHBondContact O-CB 3.28Å; A193-M197 PolarHBondContact O-N 3.26Å |
| 194 | M | 97.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 106 Ų | 106 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.1 | -172.2 | 174.9 | -67.9 | 0 | 0 | 111.9 | M190 T191 E192 R196 M197 H198 | M190-M194 WeakPolarHBondContact O-CB 3.48Å; M190-M194 PolarHBondContact O-N 2.94Å; T191-M194 PolarHBondContact O-N 3.47Å; E192-M194 VanDerWaalsContact C-N 3.29Å; E192-M194 PolarHBondContact O-N 3.24Å; M194-R196 PolarHBondContact O-N 2.96Å; M194-M197 HydrophobicContact CG-CE 4.35Å; M194-M197 PolarHBondContact O-N 2.93Å; M194-H198 PolarHBondContact O-CD2 3.06Å; M194-H198 PolarHBondContact O-N 3.43Å |
| 195 | A | 97.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 104.9 Ų | 104.9 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T191 E192 H198 L199 | T191-A195 WeakPolarHBondContact O-CB 3.28Å; T191-A195 PolarHBondContact O-N 3.48Å; E192-A195 PolarHBondContact O-N 3.36Å; A195-H198 PolarHBondContact O-N 3.18Å; A195-L199 PolarHBondContact O-N 3.01Å |
| 196 | R | 96.5 | Very high | 90.6 | Very high | 150 Ų | 150 | 104.9 Ų | 104.9 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 175.6 | -71.2 | 172.6 | -179.8 | -177.3 | 0.1 | 111.6 | E192 A193 M194 L199 L200 | E192-R196 VanDerWaalsContact CD-NH2 3.26Å; E192-R196 HydrophobicContact CG-CG 4.49Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 VanDerWaalsContact O-CG 3.31Å; E192-R196 WeakPolarHBondContact O-CG 3.27Å; E192-R196 PolarHBondContact O-N 3.11Å; E192-R196 IonicContact OE1-CZ 3.63Å; E192-R196 IonicContact OE1-NE 2.61Å; E192-R196 PolarHBondContact OE1-NE 3.46Å; E192-R196 IonicContact OE1-NH2 3.31Å; E192-R196 PolarHBondContact OE1-NH2 2.92Å; E192-R196 IonicContact OE2-NH2 3.2Å; A193-R196 PolarHBondContact O-N 3.37Å; M194-R196 PolarHBondContact O-N 2.96Å; R196-L199 PolarHBondContact O-N 3.01Å; R196-L200 WeakPolarHBondContact O-CG 3.47Å; R196-L200 PolarHBondContact O-N 3.46Å |
| 197 | M | 95.9 | Very high | 88.5 | Confident | 89 Ų | 89 | 106.4 Ų | 106.4 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 175.2 | -179.5 | -171.9 | 73.6 | 0 | 0 | 111 | A193 M194 L199 L200 E201 | A193-M197 WeakPolarHBondContact O-CB 3.28Å; A193-M197 PolarHBondContact O-N 3.26Å; M194-M197 HydrophobicContact CG-CE 4.35Å; M194-M197 PolarHBondContact O-N 2.93Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 2.95Å; M197-L200 CarbonylContact O-C 3.57Å; M197-L200 WeakPolarHBondContact O-CB 3.36Å; M197-L200 PolarHBondContact O-N 3.48Å; M197-L200 VanDerWaalsContact O-N 3.08Å; M197-E201 HydrophobicContact CG-CG 4.46Å; M197-E201 WeakPolarHBondContact O-CG 3.49Å; M197-E201 PolarHBondContact O-N 3.04Å |
| 198 | H | 95.1 | Very high | 86.3 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 38% | 0.384 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -35.2 | 178 | -73.9 | -49 | 0 | 0 | 0 | 113.5 | M194 A195 E201 K202 | M194-H198 PolarHBondContact O-CD2 3.06Å; M194-H198 PolarHBondContact O-N 3.43Å; A195-H198 PolarHBondContact O-N 3.18Å; H198-E201 IonicContact CE1-OE2 3.69Å; H198-E201 IonicContact CG-OE2 3.87Å; H198-E201 IonicContact ND1-OE2 2.86Å; H198-E201 PolarHBondContact ND1-OE2 3.48Å; H198-K202 VanDerWaalsContact O-CG 3.31Å; H198-K202 WeakPolarHBondContact O-CG 3.36Å; H198-K202 PolarHBondContact O-N 3.5Å |
| 199 | L | 93.7 | Very high | 84.2 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 173.4 | -177.2 | 67 | 0 | 0 | 0 | 111.3 | A195 R196 M197 K202 K203 | A195-L199 PolarHBondContact O-N 3.01Å; R196-L199 PolarHBondContact O-N 3.01Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 2.95Å; L199-K202 PolarHBondContact O-N 3.05Å; L199-K203 WeakPolarHBondContact O-CG 3.48Å; L199-K203 PolarHBondContact O-N 2.84Å |
| 200 | L | 92.6 | Very high | 82.2 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.6 | -41.1 | 176.2 | -69.4 | 173.9 | 0 | 0 | 0 | 111.8 | R196 M197 K202 K203 L204 | R196-L200 WeakPolarHBondContact O-CG 3.47Å; R196-L200 PolarHBondContact O-N 3.46Å; M197-L200 CarbonylContact O-C 3.57Å; M197-L200 WeakPolarHBondContact O-CB 3.36Å; M197-L200 PolarHBondContact O-N 3.48Å; M197-L200 VanDerWaalsContact O-N 3.08Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.33Å; L200-K203 PolarHBondContact O-N 3.23Å; L200-K203 VanDerWaalsContact O-N 3.1Å; L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.15Å; L200-L204 PolarHBondContact O-N 2.91Å |
| 201 | E | 88.4 | Confident | 80.4 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 172.7 | -74.2 | 174.9 | 162.9 | 0 | 0 | 111.2 | M197 H198 N205 | M197-E201 HydrophobicContact CG-CG 4.46Å; M197-E201 WeakPolarHBondContact O-CG 3.49Å; M197-E201 PolarHBondContact O-N 3.04Å; H198-E201 IonicContact CE1-OE2 3.69Å; H198-E201 IonicContact CG-OE2 3.87Å; H198-E201 IonicContact ND1-OE2 2.86Å; H198-E201 PolarHBondContact ND1-OE2 3.48Å; E201-N205 WeakPolarHBondContact O-CB 3.36Å; E201-N205 VanDerWaalsContact O-CG 3.27Å; E201-N205 PolarHBondContact O-N 3.41Å; E201-N205 PolarHBondContact O-ND2 2.99Å |
| 202 | K | 86.9 | Confident | 78.6 | Confident | 161 Ų | 161 | 101 Ų | 101 | 70% | 0.7 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -33.5 | 175.3 | -71.8 | 174.6 | -179 | -179.5 | 0 | 113.2 | H198 L199 L200 N205 | H198-K202 VanDerWaalsContact O-CG 3.31Å; H198-K202 WeakPolarHBondContact O-CG 3.36Å; H198-K202 PolarHBondContact O-N 3.5Å; L199-K202 PolarHBondContact O-N 3.05Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.33Å; K202-N205 CarbonylContact O-C 3.44Å; K202-N205 VanDerWaalsContact O-O 3.05Å |
| 203 | K | 80.9 | Confident | 76.9 | Confident | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.5 | -36.2 | 177 | -72.5 | 179.3 | 178.7 | -176.5 | 0 | 112.8 | L199 L200 | L199-K203 WeakPolarHBondContact O-CG 3.48Å; L199-K203 PolarHBondContact O-N 2.84Å; L200-K203 PolarHBondContact O-N 3.23Å; L200-K203 VanDerWaalsContact O-N 3.1Å |
| 204 | L | 73.8 | Confident | 75.2 | Confident | 149 Ų | 149 | 98.7 Ų | 98.7 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -82.7 | -21.7 | 178.7 | -169.9 | 76.2 | 0 | 0 | 0 | 112.4 | L200 P206 | L200-L204 VanDerWaalsContact O-CB 3.31Å; L200-L204 WeakPolarHBondContact O-CB 3.15Å; L200-L204 PolarHBondContact O-N 2.91Å; L204-P206 WeakPolarHBondContact O-CD 3.4Å |
| 205 | N | 59 | Low | 73.8 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | trans | -98.5 | 70.4 | 162.6 | -62 | -53.5 | 0 | 0 | 0 | 109.2 | E201 K202 E207 | E201-N205 WeakPolarHBondContact O-CB 3.36Å; E201-N205 VanDerWaalsContact O-CG 3.27Å; E201-N205 PolarHBondContact O-N 3.41Å; E201-N205 PolarHBondContact O-ND2 2.99Å; K202-N205 CarbonylContact O-C 3.44Å; K202-N205 VanDerWaalsContact O-O 3.05Å; N205-E207 PolarHBondContact O-N 2.84Å | ||
| 206 | P | 57.3 | Low | 72.5 | Confident | 100 Ų | 100 | 100.7 Ų | 100.7 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | trans | -68.9 | 81.2 | 166.1 | 32.6 | -32.7 | 0 | 0 | 0 | 106.6 | L204 | L204-P206 WeakPolarHBondContact O-CD 3.4Š| ||
| 207 | E | 54.2 | Low | 71.2 | Confident | 135 Ų | 135 | 101.9 Ų | 101.9 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | trans | 55.1 | 112.9 | 176.5 | -57.5 | -80.6 | 135.5 | 0 | 0 | 112.3 | N205 T209 | N205-E207 PolarHBondContact O-N 2.84Å; E207-T209 HydrophobicContact CB-CG2 3.26Å; E207-T209 HydrophobicContact CG-CG2 3.83Å; E207-T209 PolarHBondContact O-N 3.5Å; E207-T209 PolarHBondContact O-OG1 2.98Å | ||
| 208 | V | 52.9 | Low | 70.2 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 81% | 0.806 | 55% | 0.547 | S | S | * | . | trans | -64.3 | 75.5 | 139.6 | 178.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 209 | T | 53.9 | Low | 69.2 | Low | 47 Ų | 47 | 107.7 Ų | 107.7 | 29% | 0.288 | 56% | 0.559 | S | S | . | * | trans | -63.8 | 125.9 | -171.4 | 12.5 | 0 | 0 | 0 | 0 | 103.6 | E207 T211 A212 | E207-T209 HydrophobicContact CB-CG2 3.26Å; E207-T209 HydrophobicContact CG-CG2 3.83Å; E207-T209 PolarHBondContact O-N 3.5Å; E207-T209 PolarHBondContact O-OG1 2.98Å; T209-T211 VanDerWaalsContact CB-OG1 3.24Å; T209-T211 WeakPolarHBondContact CB-OG1 3.45Å; T209-T211 WeakPolarHBondContact CG2-OG1 3.41Å; T209-T211 PolarHBondContact O-N 2.99Å; T209-A212 PolarHBondContact O-N 3.03Å | ||
| 210 | P | 58.3 | Low | 68.3 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54 | -19.7 | 172.4 | 20.2 | -30.6 | 0 | 0 | 0 | 111.2 | A214 | P210-A214 WeakPolarHBondContact O-CB 3.43Å; P210-A214 PolarHBondContact O-N 2.97Å |
| 211 | T | 59.2 | Low | 67.3 | Low | 68 Ų | 68 | 109 Ų | 109 | 42% | 0.417 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -33.9 | 169.8 | 16.5 | 0 | 0 | 0 | 0 | 115.1 | T209 R215 | T209-T211 VanDerWaalsContact CB-OG1 3.24Å; T209-T211 WeakPolarHBondContact CB-OG1 3.45Å; T209-T211 WeakPolarHBondContact CG2-OG1 3.41Å; T209-T211 PolarHBondContact O-N 2.99Å; T211-R215 WeakPolarHBondContact O-CB 3.22Å; T211-R215 WeakPolarHBondContact O-CG 3.21Å; T211-R215 PolarHBondContact O-N 3.43Å |
| 212 | A | 61.5 | Low | 66.4 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.3 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T209 R215 A216 | T209-A212 PolarHBondContact O-N 3.03Å; A212-R215 PolarHBondContact O-N 3.28Å; A212-A216 PolarHBondContact O-N 3.05Å |
| 213 | A | 61.4 | Low | 65.5 | Low | 54 Ų | 54 | 114.9 Ų | 114.9 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | A216 W217 | A213-A216 PolarHBondContact O-N 3.5Å; A213-W217 PolarHBondContact O-N 3.33Å |
| 214 | A | 63.2 | Low | 64.4 | Low | 51 Ų | 51 | 116.3 Ų | 116.3 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P210 A216 W217 Q218 | P210-A214 WeakPolarHBondContact O-CB 3.43Å; P210-A214 PolarHBondContact O-N 2.97Å; A214-A216 VanDerWaalsContact C-N 3.35Å; A214-W217 PolarHBondContact O-N 3.44Å; A214-Q218 WeakPolarHBondContact O-CB 3.35Å; A214-Q218 PolarHBondContact O-N 3.32Å |
| 215 | R | 68.4 | Low | 63.7 | Low | 161 Ų | 161 | 112.4 Ų | 112.4 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.8 | -37.6 | 174.1 | -74.5 | 177.1 | -143.5 | -135.1 | 9.8 | 111.7 | T211 A212 R219 | T211-R215 WeakPolarHBondContact O-CB 3.22Å; T211-R215 WeakPolarHBondContact O-CG 3.21Å; T211-R215 PolarHBondContact O-N 3.43Å; A212-R215 PolarHBondContact O-N 3.28Å; R215-R219 WeakPolarHBondContact O-CG 3.33Å; R215-R219 PolarHBondContact O-N 3.09Å |
| 216 | A | 68.8 | Low | 63.7 | Low | 47 Ų | 47 | 111 Ų | 111 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A212 A213 A214 R219 K220 | A212-A216 PolarHBondContact O-N 3.05Å; A213-A216 PolarHBondContact O-N 3.5Å; A214-A216 VanDerWaalsContact C-N 3.35Å; A216-R219 PolarHBondContact O-N 3.02Å; A216-K220 WeakPolarHBondContact O-CB 3.45Å; A216-K220 PolarHBondContact O-N 3.1Å |
| 217 | W | 69.8 | Low | 63.5 | Low | 174 Ų | 174 | 110.2 Ų | 110.2 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.1 | -45.3 | 173.4 | -107.6 | 96.2 | 0 | 0 | 0 | 112.6 | A213 A214 R219 K220 M221 | A213-W217 PolarHBondContact O-N 3.33Å; A214-W217 PolarHBondContact O-N 3.44Å; W217-R219 PolarHBondContact O-N 3.01Å; W217-K220 WeakPolarHBondContact O-CB 3.42Å; W217-K220 PolarHBondContact O-N 2.87Å; W217-M221 HydrophobicContact CE3-CG 4.12Å; W217-M221 HydrophobicContact CE3-SD 4.38Å; W217-M221 HydrophobicContact CZ3-CG 4.43Å; W217-M221 HydrophobicContact CZ3-SD 4.1Å; W217-M221 WeakPolarHBondContact O-CG 3.33Å; W217-M221 PolarHBondContact O-N 3.01Å |
| 218 | Q | 75.8 | Confident | 63.3 | Low | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.4 | -43 | 176.2 | -83.3 | -129.8 | -34.6 | 0 | 0 | 113 | A214 K220 M221 R222 | A214-Q218 WeakPolarHBondContact O-CB 3.35Å; A214-Q218 PolarHBondContact O-N 3.32Å; Q218-K220 VanDerWaalsContact C-N 3.29Å; Q218-K220 PolarHBondContact O-N 3.42Å; Q218-M221 PolarHBondContact O-N 2.96Å; Q218-R222 PolarHBondContact O-N 3.11Å |
| 219 | R | 73.4 | Confident | 63.1 | Low | 170 Ų | 170 | 105.3 Ų | 105.3 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -39 | 174.8 | -74.2 | -169.5 | -129.8 | 112.6 | -3.4 | 111.6 | R215 A216 W217 R222 K223 | R215-R219 WeakPolarHBondContact O-CG 3.33Å; R215-R219 PolarHBondContact O-N 3.09Å; A216-R219 PolarHBondContact O-N 3.02Å; W217-R219 PolarHBondContact O-N 3.01Å; R219-R222 PolarHBondContact O-N 2.81Å; R219-K223 WeakPolarHBondContact O-CB 3.18Å; R219-K223 PolarHBondContact O-N 3.09Å |
| 220 | K | 74.9 | Confident | 63 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.7 | -38.9 | 176.7 | -162.9 | 174 | -176.3 | 178.7 | 0 | 112 | A216 W217 Q218 K223 R224 | A216-K220 WeakPolarHBondContact O-CB 3.45Å; A216-K220 PolarHBondContact O-N 3.1Å; W217-K220 WeakPolarHBondContact O-CB 3.42Å; W217-K220 PolarHBondContact O-N 2.87Å; Q218-K220 VanDerWaalsContact C-N 3.29Å; Q218-K220 PolarHBondContact O-N 3.42Å; K220-K223 PolarHBondContact O-N 3.27Å; K220-R224 PolarHBondContact O-N 3.29Å |
| 221 | M | 70.5 | Confident | 62.2 | Low | 107 Ų | 107 | 107.5 Ų | 107.5 | 53% | 0.527 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.7 | -41.9 | 176 | -68 | -63 | -83.5 | 0 | 0 | 112.5 | W217 Q218 K223 R224 A225 | W217-M221 HydrophobicContact CE3-CG 4.12Å; W217-M221 HydrophobicContact CE3-SD 4.38Å; W217-M221 HydrophobicContact CZ3-CG 4.43Å; W217-M221 HydrophobicContact CZ3-SD 4.1Å; W217-M221 WeakPolarHBondContact O-CG 3.33Å; W217-M221 PolarHBondContact O-N 3.01Å; Q218-M221 PolarHBondContact O-N 2.96Å; M221-K223 VanDerWaalsContact C-N 3.29Å; M221-K223 PolarHBondContact O-N 3.35Å; M221-R224 PolarHBondContact O-N 2.97Å; M221-R224 VanDerWaalsContact O-N 3.11Å; M221-A225 PolarHBondContact O-N 3.19Å |
| 222 | R | 70 | Confident | 61.4 | Low | 191 Ų | 191 | 111.7 Ų | 111.7 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.2 | -35.5 | 174.3 | -71.4 | -170.9 | -178.5 | -128.6 | 2.1 | 112.6 | Q218 R219 R224 A225 G226 | Q218-R222 PolarHBondContact O-N 3.11Å; R219-R222 PolarHBondContact O-N 2.81Å; R222-R224 VanDerWaalsContact C-N 3.29Å; R222-R224 PolarHBondContact O-N 3.03Å; R222-A225 PolarHBondContact O-N 3.46Å; R222-G226 PolarHBondContact O-N 3.22Å |
| 223 | K | 67.8 | Low | 60.4 | Low | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.8 | -27.3 | 175.4 | -162.2 | 167.3 | -174.9 | 176.3 | 0 | 113 | R219 K220 M221 | R219-K223 WeakPolarHBondContact O-CB 3.18Å; R219-K223 PolarHBondContact O-N 3.09Å; K220-K223 PolarHBondContact O-N 3.27Å; M221-K223 VanDerWaalsContact C-N 3.29Å; M221-K223 PolarHBondContact O-N 3.35Å |
| 224 | R | 59.2 | Low | 59.6 | Low | 175 Ų | 175 | 121.8 Ų | 121.8 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -78.8 | -36.3 | 172.5 | -71.2 | -177.3 | 174.7 | -146.8 | -3.4 | 112.4 | K220 M221 R222 A227 | K220-R224 PolarHBondContact O-N 3.29Å; M221-R224 PolarHBondContact O-N 2.97Å; M221-R224 VanDerWaalsContact O-N 3.11Å; R222-R224 VanDerWaalsContact C-N 3.29Å; R222-R224 PolarHBondContact O-N 3.03Å; R224-A227 PolarHBondContact O-N 3.09Å |
| 225 | A | 58.3 | Low | 58.5 | Low | 67 Ų | 67 | 127.1 Ų | 127.1 | 55% | 0.554 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M221 R222 A227 S228 | M221-A225 PolarHBondContact O-N 3.19Å; R222-A225 PolarHBondContact O-N 3.46Å; A225-A227 VanDerWaalsContact C-N 3.26Å; A225-A227 PolarHBondContact O-N 2.98Å; A225-S228 PolarHBondContact O-N 3.34Å; A225-S228 PolarHBondContact O-OG 3.14Å |
| 226 | G | 58.2 | Low | 57.5 | Low | 69 Ų | 69 | 124.9 Ų | 124.9 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -14.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R222 | R222-G226 PolarHBondContact O-N 3.22Š|
| 227 | A | 54.3 | Low | 55.9 | Low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -6.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R224 A225 | R224-A227 PolarHBondContact O-N 3.09Å; A225-A227 VanDerWaalsContact C-N 3.26Å; A225-A227 PolarHBondContact O-N 2.98Å |
| 228 | S | 50.4 | Low | 54.3 | Low | 87 Ų | 87 | 125.7 Ų | 125.7 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -100.4 | 13.6 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | A225 G230 | A225-S228 PolarHBondContact O-N 3.34Å; A225-S228 PolarHBondContact O-OG 3.14Å; S228-G230 VanDerWaalsContact C-N 3.3Å |
| 229 | G | 47.7 | Very low | 52.6 | Low | 78 Ų | 78 | 127.5 Ų | 127.5 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -85.9 | 7.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 230 | G | 52.8 | Low | 50.8 | Low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -131 | 72.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S228 | S228-G230 VanDerWaalsContact C-N 3.3Š| ||
| 231 | V | 40.5 | Very low | 49.4 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | trans | -135.7 | 100.7 | 165.4 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | L | 42.4 | Very low | 47.8 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | 14.6 | 111.4 | 153.9 | -66 | 158.1 | 0 | 0 | 0 | 117.3 | I234 | L232-I234 PolarHBondContact O-N 2.96Š| ||
| 233 | M | 41.2 | Very low | 46.7 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -59.8 | 108.3 | 155.5 | -71.1 | -75.5 | -74.2 | 0 | 0 | 109.3 | ||||
| 234 | I | 44.9 | Very low | 45.6 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -106 | 111.4 | 155.9 | -60.6 | 177.8 | 0 | 0 | 0 | 105.8 | L232 P236 | L232-I234 PolarHBondContact O-N 2.96Å; I234-P236 WeakPolarHBondContact O-CD 3.49Å | ||
| 235 | Q | 40.1 | Very low | 44.8 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 119.9 | 177.8 | -175 | 169.4 | 67.3 | 0 | 0 | 108.7 | ||
| 236 | P | 45.8 | Very low | 44 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 124 | 166.6 | 7.9 | 10.3 | 0 | 0 | 0 | 109.5 | I234 | I234-P236 WeakPolarHBondContact O-CD 3.49Š|
| 237 | C | 35.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.1 | 174.2 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 238 | V | 37.2 | Very low | 42.4 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.1 | 172 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | D240 | V238-D240 HydrophobicContact CG1-CB 4.38Š|
| 239 | L | 39.3 | Very low | 41.8 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -104.8 | 96.3 | 157.5 | -99 | 158.4 | 0 | 0 | 0 | 106.3 | ||||
| 240 | D | 36.1 | Very low | 41.4 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -75.9 | 130.2 | 161 | -83.9 | -33.8 | 0 | 0 | 0 | 107.8 | V238 | V238-D240 HydrophobicContact CG1-CB 4.38Š| ||
| 241 | S | 46.5 | Very low | 40.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -139.9 | 97.7 | 163.2 | -77.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 242 | Q | 35.6 | Very low | 40.4 | Very low | 274 Ų | 274 | 153.2 Ų | 153.2 | 100% | 1.28 | 83% | 0.831 | S | S | * | * | trans | -151.2 | 0 | 133.1 | -97.6 | -174.4 | 15.9 | 0 | 0 | 108.4 |
Retrieved 242 of 242 residues in 35.4 ms
(Link to these results)