| 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 | F | 29.7 | Very low | 31.7 | Very low | 265 Ų | 265 | 152.7 Ų | 152.7 | 100% | 1.162 | 83% | 0.832 | S | S | * | * | 0 | 134 | 0 | -84.1 | -102.1 | 0 | 0 | 0 | 108.2 | |||||
| 2 | L | 31.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -84.3 | 165.3 | 179.7 | -70.7 | 75.3 | 0 | 0 | 0 | 109 | ||||
| 3 | G | 30 | Very low | 31.8 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | cis | 93.1 | 139.5 | 24.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | M | 29.5 | Very low | 31.4 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | cis | -145.2 | 176.4 | 14.9 | -67 | 162.7 | 55.1 | 0 | 0 | 111.4 | ||||
| 5 | S | 28.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -131.2 | 150.9 | -177.6 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 6 | H | 31.6 | Very low | 31.6 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -15.6 | 140.5 | 169.5 | -56.3 | -90 | 0 | 0 | 0 | 121.2 | ||||
| 7 | E | 30.4 | Very low | 31.6 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | -173.4 | 170 | 109.3 | -96.2 | -104.8 | 90.7 | 0 | 0 | 111.8 | |||||
| 8 | P | 42.9 | Very low | 31.4 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 57% | 0.571 | 83% | 0.833 | S | S | * | * | trans | -128.1 | 161.7 | -166.7 | 43.5 | -31.4 | 0 | 0 | 0 | 118.6 | ||||
| 9 | K | 32 | Very low | 31.5 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | 73.4 | 128.5 | 147.5 | -74 | 165.2 | -179.4 | 179.6 | 0 | 122.6 | ||||
| 10 | S | 28.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | 68.3 | 160.5 | 151.7 | 58.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 11 | P | 34.6 | Very low | 31.6 | Very low | 130 Ų | 130 | 149 Ų | 149 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | cis | -122.9 | -131.1 | 7.7 | 43 | -26.3 | 0 | 0 | 0 | 114.6 | ||||
| 12 | S | 27.1 | Very low | 31.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -126.4 | 157.4 | -149.7 | 57.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 13 | L | 37.1 | Very low | 31.7 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | 60.6 | 129.4 | 152.2 | -117.1 | 75.6 | 0 | 0 | 0 | 120 | ||||
| 14 | G | 27.3 | Very low | 31.8 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -176.3 | 115 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | M | 37 | Very low | 31.9 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -84.9 | 150.8 | 174.4 | -59.1 | -167.4 | -53.6 | 0 | 0 | 111.1 | ||||
| 16 | I | 28.5 | Very low | 31.8 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 91% | 0.908 | 83% | 0.833 | S | S | * | * | trans | -144.5 | 134.2 | 149.3 | 14 | 174.1 | 0 | 0 | 0 | 109.8 | ||||
| 17 | S | 31.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -112.6 | 143.7 | -178.6 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 18 | T | 29 | Very low | 32.3 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -137.2 | 124.6 | 161.7 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | A | 33.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -128.8 | 147.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | T | 32.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -136.5 | 110 | 176.5 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 21 | R | 32.1 | Very low | 32.3 | Very low | 239 Ų | 239 | 135.6 Ų | 135.6 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -137.4 | 127.4 | 161.1 | -175.8 | -179 | 177.6 | -153.4 | -2.6 | 108 | ||||
| 22 | T | 32 | Very low | 31.8 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -98 | 129.5 | -172 | 31.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 23 | T | 32.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -154 | 148.7 | 151.9 | 36.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 24 | A | 30.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 163.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 25 | T | 32 | Very low | 32.9 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -125.2 | 157 | 178 | 41 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 26 | V | 27.4 | Very low | 32.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -133.6 | 136 | 162.7 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 27 | S | 30.9 | Very low | 32.5 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 169.5 | -169.3 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 28 | P | 41.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | -146.6 | 142 | 96.9 | 35.9 | -19.2 | 0 | 0 | 0 | 117.9 | |||||
| 29 | L | 30 | Very low | 32.6 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | 56.5 | 103.1 | 135.1 | -55.1 | 174.1 | 0 | 0 | 0 | 122.4 | ||||
| 30 | T | 33.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | 19.9 | 142 | 117.7 | 50.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 31 | P | 38.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | -145.5 | 169.5 | 55.8 | 40.8 | -22.2 | 0 | 0 | 0 | 119.6 | |||||
| 32 | S | 25.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -103.8 | -154.4 | 171.4 | -35.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | P | 53 | Low | 32.2 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -132.6 | -174.7 | -25.6 | 28.6 | -6.1 | 0 | 0 | 0 | 112.9 | ||||
| 34 | L | 29.1 | Very low | 32.8 | Very low | 143 Ų | 143 | 121 Ų | 121 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | -178.1 | 148 | 122.3 | -120.3 | 66.9 | 0 | 0 | 0 | 114.6 | |||||
| 35 | N | 31.1 | Very low | 32.8 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 24 | 142.9 | 152.9 | -53.5 | -11.7 | 0 | 0 | 0 | 122.3 | ||||
| 36 | G | 29.5 | Very low | 32.8 | Very low | 69 Ų | 69 | 118.8 Ų | 118.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 115.7 | 142.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | S | 28.4 | Very low | 33 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 70 | 153.4 | 170.1 | -75.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 38 | I | 32.7 | Very low | 33.1 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | cis | -151.3 | 134.6 | 5.4 | -108.9 | 148.5 | 0 | 0 | 0 | 105.9 | ||||
| 39 | V | 29.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 120 Ų | 120 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | 66 | 134.8 | 76.2 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 40 | A | 31.1 | Very low | 33.2 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | cis | -154.7 | 163.6 | 28.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 41 | N | 30.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 120 Ų | 120 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 41.8 | 132.3 | 139 | -57.3 | -5.2 | 0 | 0 | 0 | 124 | ||||
| 42 | G | 29.3 | Very low | 34 | Very low | 81 Ų | 81 | 116.4 Ų | 116.4 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | 150.4 | 81.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 43 | S | 30.7 | Very low | 34.8 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 160.8 | 166.6 | -66.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 44 | P | 45.2 | Very low | 35 | Very low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | cis | -144.6 | 170.3 | 26.7 | 43.1 | -24 | 0 | 0 | 0 | 119.7 | ||||
| 45 | A | 30.5 | Very low | 35.8 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | trans | 66.4 | 108.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 46 | A | 30.8 | Very low | 36.6 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | trans | 85.8 | 147.1 | 135 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 47 | Q | 32.5 | Very low | 38.2 | Very low | 186 Ų | 186 | 106.4 Ų | 106.4 | 87% | 0.869 | 68% | 0.684 | S | S | * | * | trans | 82.9 | 99.2 | 164.9 | -54.1 | -150.4 | 7.7 | 0 | 0 | 121.5 | ||||
| 48 | S | 33.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | 51.6 | 114.8 | 117.8 | -172.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 49 | S | 33.4 | Very low | 40 | Very low | 103 Ų | 103 | 107.9 Ų | 107.9 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | trans | -163.3 | 114.8 | 138 | -84 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 50 | H | 40.3 | Very low | 41 | Very low | 166 Ų | 166 | 107.2 Ų | 107.2 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | 74.3 | 157.2 | 100.6 | -78.8 | -74.8 | 0 | 0 | 0 | 115.4 | |||||
| 51 | S | 46.9 | Very low | 41.7 | Very low | 106 Ų | 106 | 108 Ų | 108 | 74% | 0.741 | 66% | 0.664 | S | S | * | * | cis | -178.2 | 158.2 | -46 | 49.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 52 | G | 40.9 | Very low | 42.3 | Very low | 46 Ų | 46 | 108.6 Ų | 108.6 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | trans | -168.6 | -129.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | A54 A55 | G52-A54 CarbonylContact O-C 3.57Å; G52-A54 PolarHBondContact O-N 3.1Å; G52-A55 WeakPolarHBondContact O-CB 3.47Å; G52-A55 PolarHBondContact O-N 3.2Å | ||
| 53 | F | 43.3 | Very low | 42.7 | Very low | 167 Ų | 167 | 113 Ų | 113 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.6 | -25.9 | -175.2 | 177 | -94.3 | 0 | 0 | 0 | 114.4 | A55 T589 A590 | F53-A55 PolarHBondContact O-N 3.18Å; F53-T589 HydrophobicContact CD2-CG2 3.44Å; F53-T589 VanDerWaalsContact CD2-CG2 3.44Å; F53-T589 HydrophobicContact CE2-CG2 3.44Å; F53-T589 VanDerWaalsContact CE2-CG2 3.44Å; F53-T589 HydrophobicContact CG-CG2 4.4Å; F53-T589 HydrophobicContact CZ-CG2 4.42Å; F53-T589 VanDerWaalsContact O-CB 3.23Å; F53-T589 WeakPolarHBondContact O-CB 3.12Å; F53-T589 PolarHBondContact O-OG1 3.13Å; F53-A590 VanDerWaalsContact O-CB 3.29Å; F53-A590 WeakPolarHBondContact O-CB 3.29Å |
| 54 | A | 56 | Low | 43.1 | Very low | 43 Ų | 43 | 111.8 Ų | 111.8 | 36% | 0.355 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.9 | -1.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G52 A590 S591 | G52-A54 CarbonylContact O-C 3.57Å; G52-A54 PolarHBondContact O-N 3.1Å; A54-A590 CarbonylContact O-C 3.52Å; A54-A590 WeakPolarHBondContact O-CA 3.43Å; A54-A590 WeakPolarHBondContact O-CB 3.27Å; A54-S591 WeakPolarHBondContact O-CA 3.49Å; A54-S591 WeakPolarHBondContact O-CB 3.45Å; A54-S591 PolarHBondContact O-N 3.27Å; A54-S591 PolarHBondContact O-OG 3.25Å |
| 55 | A | 46.7 | Very low | 42.5 | Very low | 52 Ų | 52 | 115 Ų | 115 | 43% | 0.43 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -58.2 | -52.1 | -160.3 | 0 | 0 | 0 | 0 | 0 | 126.9 | G52 F53 E588 T589 S591 | G52-A55 WeakPolarHBondContact O-CB 3.47Å; G52-A55 PolarHBondContact O-N 3.2Å; F53-A55 PolarHBondContact O-N 3.18Å; A55-E588 VanDerWaalsContact CB-OE1 3.25Å; A55-E588 WeakPolarHBondContact CB-OE1 3.25Å; A55-T589 PolarHBondContact N-OG1 3.38Å; A55-S591 WeakPolarHBondContact O-CB 3.47Å; A55-S591 PolarHBondContact O-N 3.02Å |
| 56 | A | 47.4 | Very low | 42.6 | Very low | 14 Ų | 14 | 118.6 Ų | 118.6 | 12% | 0.116 | 66% | 0.66 | C | S | . | * | S | Bend | trans | -150.8 | 19.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | R58 K59 L60 E588 T589 A590 | A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.07Å; A56-K59 HydrophobicContact CB-CB 3.94Å; A56-K59 HydrophobicContact CB-CD 3.99Å; A56-K59 VanDerWaalsContact O-CA 3.26Å; A56-K59 WeakPolarHBondContact O-CA 3.47Å; A56-K59 WeakPolarHBondContact O-CB 3.39Å; A56-K59 PolarHBondContact O-N 3.35Å; A56-L60 PolarHBondContact O-N 3.15Å; A56-E588 WeakPolarHBondContact CB-OE1 3.45Å; A56-E588 WeakPolarHBondContact CB-OE2 3.5Å; A56-E588 PolarHBondContact N-OE1 3.17Å; A56-E588 VanDerWaalsContact N-OE1 3.16Å; A56-T589 CarbonylContact C-O 3.59Å; A56-T589 WeakPolarHBondContact CA-O 3.36Å; A56-T589 WeakPolarHBondContact CB-O 3.4Å; A56-T589 PolarHBondContact N-O 3.14Å; A56-A590 VanDerWaalsContact N-C 3.28Å |
| 57 | L | 63.1 | Low | 43.7 | Very low | 95 Ų | 95 | 117 Ų | 117 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -57.8 | -31.8 | -178.2 | -82.2 | -167.6 | 0 | 0 | 0 | 111.8 | K59 L60 A61 T589 A590 | L57-K59 PolarHBondContact O-N 3.4Å; L57-L60 HydrophobicContact CD2-CD1 3.92Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-A61 PolarHBondContact O-N 3.35Å; L57-T589 PolarHBondContact N-O 3.25Å; L57-A590 WeakPolarHBondContact CB-O 3.35Å; L57-A590 HydrophobicContact CG-CB 4.41Å; L57-A590 PolarHBondContact N-O 3.19Å |
| 58 | R | 56.1 | Low | 43.6 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 54% | 0.536 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.1 | -0 | 174 | -44.5 | -168 | -153.8 | 163.4 | 13.1 | 112.7 | A56 S591 E592 | A56-R58 PolarHBondContact O-N 3.48Å; A56-R58 VanDerWaalsContact O-N 3.07Å; R58-S591 WeakPolarHBondContact CB-O 3.33Å; R58-S591 WeakPolarHBondContact CD-O 3.33Å; R58-S591 WeakPolarHBondContact CG-O 3.36Å; R58-S591 VanDerWaalsContact CZ-C 3.41Å; R58-S591 VanDerWaalsContact NE-C 3.29Å; R58-S591 PolarHBondContact NE-O 3.17Å; R58-S591 VanDerWaalsContact NE-O 3.16Å; R58-E592 IonicContact CZ-OE1 3.3Å; R58-E592 IonicContact NH1-OE1 2.74Å; R58-E592 PolarHBondContact NH1-OE1 3.3Å; R58-E592 VanDerWaalsContact NH2-N 3.19Å; R58-E592 IonicContact NH2-OE1 3.92Å; R58-E592 PolarHBondContact NH2-OE1 3.28Å; R58-E592 IonicContact NH2-OE2 3.14Å |
| 59 | K | 42.1 | Very low | 43.4 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -105.4 | -35.2 | 171.1 | -152.2 | -179.1 | -178.8 | -173.8 | 0 | 111.8 | A56 L57 | A56-K59 HydrophobicContact CB-CB 3.94Å; A56-K59 HydrophobicContact CB-CD 3.99Å; A56-K59 VanDerWaalsContact O-CA 3.26Å; A56-K59 WeakPolarHBondContact O-CA 3.47Å; A56-K59 WeakPolarHBondContact O-CB 3.39Å; A56-K59 PolarHBondContact O-N 3.35Å; L57-K59 PolarHBondContact O-N 3.4Å |
| 60 | L | 50.4 | Low | 43.2 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67 | -43.9 | 170.8 | -103.9 | 168.7 | 0 | 0 | 0 | 111.6 | A56 L57 K62 | A56-L60 PolarHBondContact O-N 3.15Å; L57-L60 HydrophobicContact CD2-CD1 3.92Å; L57-L60 PolarHBondContact O-N 3.04Å; L60-K62 PolarHBondContact O-N 3.44Å |
| 61 | A | 46.7 | Very low | 42.6 | Very low | 92 Ų | 92 | 115 Ų | 115 | 76% | 0.76 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 21.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L57 | L57-A61 PolarHBondContact O-N 3.35Š|
| 62 | K | 43.3 | Very low | 41.7 | Very low | 179 Ų | 179 | 115.2 Ų | 115.2 | 78% | 0.778 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 22 | -173.8 | -133.9 | -173.9 | -176.8 | -167.7 | 0 | 115.3 | L60 | L60-K62 PolarHBondContact O-N 3.44Š|
| 63 | Q | 37.4 | Very low | 41.1 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | trans | -122.5 | 15.4 | 174.8 | -81.4 | -168.6 | -56.4 | 0 | 0 | 114.6 | ||||
| 64 | A | 37.8 | Very low | 40.3 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -103.6 | 114.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 65 | E | 34.2 | Very low | 38.9 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -79 | 133.3 | -174.8 | -73.3 | 173.3 | 104 | 0 | 0 | 112.6 | ||||
| 66 | E | 32.8 | Very low | 38 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | 22.1 | 155.3 | 115.5 | -86.7 | -129.9 | 123.2 | 0 | 0 | 120.7 | |||||
| 67 | P | 52.4 | Low | 37 | Very low | 65 Ų | 65 | 132 Ų | 132 | 42% | 0.422 | 73% | 0.733 | S | S | . | * | cis | -145.8 | -157.1 | -39 | 36.6 | -14.8 | 0 | 0 | 0 | 112 | ||||
| 68 | R | 31.6 | Very low | 35.3 | Very low | 225 Ų | 225 | 132.9 Ų | 132.9 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | trans | 77.3 | 150 | 169.5 | -59 | 171.4 | -175.7 | 89.5 | 9.4 | 114.4 | ||||
| 69 | A | 28.7 | Very low | 34.5 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | cis | -176.2 | 163.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 70 | A | 29.1 | Very low | 33.8 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | cis | -163.4 | 178.4 | -15.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | S | 28 | Very low | 32.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | 47.6 | 110 | 152 | 57.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 72 | S | 28.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -41.6 | 154.6 | 146.7 | -26.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 73 | I | 28.3 | Very low | 31.8 | Very low | 176 Ų | 176 | 129 Ų | 129 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | -163.5 | 175.2 | 103.1 | 44 | 169.7 | 0 | 0 | 0 | 111.1 | |||||
| 74 | S | 25.9 | Very low | 31.3 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -77.9 | 163.4 | -160.2 | -40.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 75 | S | 27.1 | Very low | 30.8 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 90.2 | 152.1 | 140.9 | -61.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 76 | E | 26.9 | Very low | 30.5 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 88.2 | 118.4 | 158.2 | -83.3 | -174.5 | 83.7 | 0 | 0 | 122.8 | ||||
| 77 | S | 26.2 | Very low | 30.5 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 50.7 | 127.9 | 139.9 | 53.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 78 | S | 29.5 | Very low | 29.4 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 159.6 | 159.3 | -46.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | P | 38.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -129.7 | 158.8 | 117.3 | 36.6 | -31.4 | 0 | 0 | 0 | 114.7 | |||||
| 80 | V | 27.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -86.1 | 138 | 177 | 165.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | S | 26.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 179 | 136.7 | 129.8 | -80.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 82 | S | 35.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 164.9 | 159.5 | -41.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | P | 37.4 | Very low | 31 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -153.6 | 173.1 | 84.5 | 42.1 | -24.6 | 0 | 0 | 0 | 116 | |||||
| 84 | A | 26.2 | Very low | 32.3 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | 55.6 | 151.5 | 136 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 85 | T | 28.1 | Very low | 32.6 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | cis | -167.2 | 159.3 | -15.8 | 23.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 86 | N | 27.1 | Very low | 32.8 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | 68.7 | 165.2 | 148.6 | -65.8 | -20 | 0 | 0 | 0 | 120.8 | ||||
| 87 | H | 32.4 | Very low | 33 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 72.3 | 135.4 | 165.7 | -40.5 | -70.5 | 0 | 0 | 0 | 117.1 | ||||
| 88 | S | 29.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | -169 | 142 | -23.4 | -102 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 89 | S | 33 | Very low | 34.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -71.3 | 159.4 | 163.9 | -47.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | P | 47 | Very low | 34.1 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | -148.2 | 167.5 | 88.2 | 38.2 | -20.5 | 0 | 0 | 0 | 117.6 | |||||
| 91 | V | 34.7 | Very low | 35.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -58.9 | 151.8 | 176.7 | 164.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 92 | S | 32.4 | Very low | 35.4 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -157.4 | 154.5 | 144.2 | -83.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 93 | T | 33.1 | Very low | 36 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -143.6 | -166 | -174.3 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 94 | P | 54.8 | Low | 35.7 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | -126.8 | 172.6 | -58.8 | 33.7 | -17.4 | 0 | 0 | 0 | 113.7 | |||||
| 95 | K | 32.5 | Very low | 35.8 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 162.9 | 161.4 | 152.3 | -91 | 150.2 | -168.6 | 166.6 | 0 | 109.3 | ||||
| 96 | R | 31.5 | Very low | 35.8 | Very low | 237 Ų | 237 | 130.1 Ų | 130.1 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | cis | -156.2 | 158.1 | 10.4 | -141.4 | 175.7 | -174.4 | 169.1 | -1.1 | 109.7 | ||||
| 97 | G | 29.6 | Very low | 36.7 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -91.8 | -158.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 98 | P | 46.1 | Very low | 37.7 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | cis | -140.5 | -156.9 | 16 | 44.7 | -24.6 | 0 | 0 | 0 | 115.6 | ||||
| 99 | L | 41.2 | Very low | 37.5 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | trans | -122.3 | 167.3 | -175.9 | -137.4 | 103.4 | 0 | 0 | 0 | 113.7 | ||||
| 100 | G | 30.1 | Very low | 37.3 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | 104.9 | -179.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 101 | P | 50 | Low | 36.4 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | cis | -137.6 | 172 | -10.1 | 41.4 | -24.9 | 0 | 0 | 0 | 115.9 | ||||
| 102 | G | 31.2 | Very low | 36.1 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 165.8 | 126.3 | 168 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 103 | P | 49.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -137.6 | -170.3 | -165.4 | 29.9 | -4.8 | 0 | 0 | 0 | 118.4 | ||||
| 104 | V | 29.2 | Very low | 36.9 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | 110.6 | 116.7 | 146.4 | -173.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 105 | L | 28.8 | Very low | 35.7 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 52.8 | 140.5 | 151 | -59.1 | 167.2 | 0 | 0 | 0 | 122.6 | ||||
| 106 | V | 27.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | 88.3 | 138.6 | 30.3 | 167.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 107 | P | 46.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -138.1 | -130.1 | -24 | 39.8 | -15.9 | 0 | 0 | 0 | 113.4 | ||||
| 108 | P | 53.6 | Low | 36.7 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -124.9 | -174.1 | -66 | 36.5 | -17.8 | 0 | 0 | 0 | 117.1 | |||||
| 109 | A | 26.6 | Very low | 35.9 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 82.1 | 149.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 110 | G | 27.3 | Very low | 35.5 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -162.2 | 179.8 | 4.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 111 | H | 29.2 | Very low | 35.6 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -83.3 | 152.9 | -158.7 | -43.3 | -95.1 | 0 | 0 | 0 | 118.2 | ||||
| 112 | S | 27.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | 174.1 | 170.8 | 118.2 | 44.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 113 | V | 34.5 | Very low | 34.8 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -143.6 | 175.5 | -174.5 | -124.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 114 | P | 48.3 | Very low | 34.1 | Very low | 104 Ų | 104 | 124 Ų | 124 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -143.1 | 179.2 | 15.9 | 42.6 | -22.1 | 0 | 0 | 0 | 119.4 | ||||
| 115 | N | 29.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 81.5 | 127.9 | 143.9 | -89.1 | 2.9 | 0 | 0 | 0 | 125.3 | ||||
| 116 | T | 29.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 78.9 | 150.2 | 147.3 | 44.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 117 | P | 47.5 | Very low | 34.4 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -130 | -177.7 | -141.1 | 44.9 | -31.2 | 0 | 0 | 0 | 116.2 | ||||
| 118 | P | 38 | Very low | 33.6 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -131.6 | 138.7 | 151.9 | 36.9 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 119 | V | 29.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 17.2 | 129.1 | 141.2 | -171.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 120 | V | 32.9 | Very low | 32.4 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -111 | 126.2 | 161.6 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | I122 | V120-I122 HydrophobicContact CG1-CG1 4.32Š| ||
| 121 | T | 31.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -90.6 | 126.1 | 175 | -42.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 122 | I | 34.6 | Very low | 32.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -111.3 | 124.6 | 176.9 | -57.6 | 179.3 | 0 | 0 | 0 | 109.6 | V120 | V120-I122 HydrophobicContact CG1-CG1 4.32Š| ||
| 123 | A | 30.5 | Very low | 32.4 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88 | 145.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 124 | P | 34.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 119.3 | -174.3 | 31.5 | -34.3 | 0 | 0 | 0 | 113 | ||
| 125 | T | 31.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 129 | 172 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 126 | K | 31.3 | Very low | 31.1 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 124.9 | 174.8 | -76.5 | -179.6 | 173 | 178.8 | 0 | 111.5 | ||
| 127 | T | 29.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -163.6 | 102.4 | 152.2 | 36.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 128 | S | 27.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 94.7 | 96.4 | 68.1 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 129 | N | 27.3 | Very low | 29.7 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 94% | 0.941 | 77% | 0.766 | S | S | * | * | trans | -70.1 | 144.8 | 173.8 | -78.4 | 7.1 | 0 | 0 | 0 | 112.6 | ||||
| 130 | G | 28.7 | Very low | 29.5 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -115.2 | 152.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 131 | L | 28.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 67% | 0.665 | 76% | 0.76 | S | S | * | * | trans | -132.2 | 179.1 | -170.3 | -174 | 55.2 | 0 | 0 | 0 | 111.4 | ||||
| 132 | W | 28.3 | Very low | 28.7 | Very low | 217 Ų | 217 | 133.8 Ų | 133.8 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 85.1 | 125.5 | 173 | -42 | 107.5 | 0 | 0 | 0 | 114 | ||||
| 133 | R | 28 | Very low | 29.2 | Very low | 201 Ų | 201 | 132 Ų | 132 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | cis | 84.5 | 98.5 | 26.1 | -66.1 | -161.4 | 178.1 | -88.4 | 5.5 | 117.7 | ||||
| 134 | N | 29.7 | Very low | 29 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 34.7 | 115.7 | 136.6 | -57.8 | 13.4 | 0 | 0 | 0 | 123.4 | ||||
| 135 | E | 27.1 | Very low | 28.6 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 171.4 | 161.1 | 123 | -98.9 | -155.3 | 94.2 | 0 | 0 | 108.4 | R137 | E135-R137 IonicContact OE1-CZ 2.59Å; E135-R137 IonicContact OE1-NE 3.45Å; E135-R137 PolarHBondContact OE1-NE 3.16Å; E135-R137 IonicContact OE1-NH2 3.9Å; E135-R137 PolarHBondContact OE1-NH2 2.97Å; E135-R137 IonicContact OE2-NH2 2.79Å | |||
| 136 | G | 27 | Very low | 28.3 | Very low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | 156.7 | 156.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 137 | R | 32.4 | Very low | 28 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 67% | 0.672 | 76% | 0.761 | S | S | * | * | trans | 75.8 | 159.9 | 162.5 | -51.8 | 160.2 | -162.7 | -94.6 | -2.5 | 116.8 | E135 | E135-R137 IonicContact OE1-CZ 2.59Å; E135-R137 IonicContact OE1-NE 3.45Å; E135-R137 PolarHBondContact OE1-NE 3.16Å; E135-R137 IonicContact OE1-NH2 3.9Å; E135-R137 PolarHBondContact OE1-NH2 2.97Å; E135-R137 IonicContact OE2-NH2 2.79Å | ||
| 138 | Q | 26 | Very low | 27.9 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 62% | 0.621 | 76% | 0.758 | S | S | * | * | cis | -169 | 157.5 | -18.5 | -109.1 | 179.5 | -10.9 | 0 | 0 | 112.3 | ||||
| 139 | A | 26.9 | Very low | 27.9 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | 72.1 | 161.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 140 | D | 25.5 | Very low | 28 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -159.4 | 167.8 | 1 | -140.2 | -18.4 | 0 | 0 | 0 | 117.3 | K809 | D140-K809 IonicContact OD1-NZ 3.36Å; D140-K809 PolarHBondContact OD1-NZ 3.13Å; D140-K809 IonicContact OD2-NZ 2.72Å; D140-K809 PolarHBondContact OD2-NZ 2.86Å | ||
| 141 | S | 26.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | 81.8 | 151.5 | 152.5 | 71.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 142 | G | 21.8 | Very low | 27.9 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | -115 | -137.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 143 | P | 44.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | cis | -150.6 | -174.8 | 12.9 | 46.6 | -26.2 | 0 | 0 | 0 | 119.9 | ||||
| 144 | R | 26.5 | Very low | 27.9 | Very low | 253 Ų | 253 | 130.1 Ų | 130.1 | 96% | 0.955 | 74% | 0.741 | S | S | * | * | trans | 69.8 | 150.5 | 161.9 | -62.7 | -178.3 | 177.9 | -130.1 | -1.6 | 120 | ||||
| 145 | G | 25 | Very low | 27.8 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | cis | 164.1 | 158.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 146 | A | 26.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | trans | 68.9 | 160.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 147 | S | 24.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -175.8 | 161.9 | -28.2 | -173.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 148 | R | 27.8 | Very low | 27.4 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | 80.1 | 149.3 | 156 | -156.5 | 174.3 | -166.9 | 147.3 | 27.4 | 119.6 | R150 | R148-R150 VanDerWaalsContact NH2-NH2 3.18Š| ||
| 149 | E | 27.4 | Very low | 27.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 55% | 0.551 | 76% | 0.763 | S | S | * | * | cis | 176.8 | 159.6 | -27.3 | -174.1 | -170.8 | -118.1 | 0 | 0 | 111.6 | ||||
| 150 | R | 30.8 | Very low | 27.6 | Very low | 180 Ų | 180 | 132 Ų | 132 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 82.6 | 156.8 | 163.8 | -50.7 | -170.2 | -150.8 | -84.6 | -2 | 121.7 | R148 | R148-R150 VanDerWaalsContact NH2-NH2 3.18Š| ||
| 151 | L | 29.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -171.2 | 148.6 | -27.4 | -101.4 | 178.7 | 0 | 0 | 0 | 112.6 | ||||
| 152 | A | 24.4 | Very low | 27.8 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | 58.2 | 166.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 153 | A | 27 | Very low | 28.1 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | -157.8 | 140.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 154 | E | 28.1 | Very low | 28 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | 92.3 | 148 | 84.6 | -98.1 | -52.1 | 120.9 | 0 | 0 | 119.1 | |||||
| 155 | G | 27.9 | Very low | 28 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 143.5 | 106.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 156 | T | 26.8 | Very low | 28.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | trans | -109.7 | -168.8 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 157 | F | 28.3 | Very low | 28.7 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | -164 | 158.9 | 6.8 | -124.2 | -38.6 | 0 | 0 | 0 | 110.4 | ||||
| 158 | S | 22.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -173.4 | 165.2 | 157.8 | -88.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 159 | Q | 28.2 | Very low | 29 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -147.4 | 176.6 | -144.1 | -152.7 | -169.2 | 9.8 | 0 | 0 | 117 | ||||
| 160 | E | 29.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 62% | 0.621 | 77% | 0.766 | S | S | * | * | trans | 79.7 | 148.1 | 164.1 | -55.5 | -121.4 | 107.9 | 0 | 0 | 117.4 | ||||
| 161 | K | 29.2 | Very low | 29.2 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | -160.5 | 168 | -4.7 | -121.5 | 177.9 | 174.8 | 78.6 | 0 | 106.2 | ||||
| 162 | G | 26.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | 177.4 | 172.2 | 1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 163 | G | 29.1 | Very low | 29.3 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -98.4 | -165.1 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 164 | P | 42 | Very low | 30.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | cis | -118.1 | -143.9 | 23.6 | 29.6 | -5.4 | 0 | 0 | 0 | 112.5 | ||||
| 165 | S | 27.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -159.2 | -152.6 | 15.5 | 69.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 166 | V | 27 | Very low | 30.4 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -162.5 | 176.2 | -160.7 | -104.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | P | 38.7 | Very low | 30.5 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -133.5 | -159.4 | 2 | 36 | -12.7 | 0 | 0 | 0 | 115.8 | ||||
| 168 | A | 27.6 | Very low | 30.4 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | -93.9 | -167.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 169 | H | 31.3 | Very low | 30.7 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | cis | -167.6 | 150.7 | 46.2 | -66 | -98.7 | 0 | 0 | 0 | 115.9 | ||||
| 170 | L | 32 | Very low | 31 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 65.2 | 159.2 | 136.1 | -70.1 | 171.9 | 0 | 0 | 0 | 125.9 | ||||
| 171 | L | 29.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | 68.4 | 150.4 | 176.5 | -85 | 65.5 | 0 | 0 | 0 | 116.8 | ||||
| 172 | G | 25.1 | Very low | 31.9 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | 179.8 | 162.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 173 | N | 31.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -127.9 | 143.4 | -171.1 | -160.3 | 21.5 | 0 | 0 | 0 | 112.5 | ||||
| 174 | P | 45.5 | Very low | 32.2 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | -151.2 | 177.3 | 117.3 | 38 | -19.5 | 0 | 0 | 0 | 117.1 | |||||
| 175 | Y | 30.7 | Very low | 31.8 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -75.7 | 157.2 | -175.2 | -95.6 | -109.8 | 0 | 0 | 0 | 117.4 | ||||
| 176 | A | 29.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | -175.3 | 164.6 | 125.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 177 | F | 30.2 | Very low | 32 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -57.4 | 168.5 | 176.6 | -72.3 | -110.7 | 0 | 0 | 0 | 115.6 | ||||
| 178 | G | 24.8 | Very low | 31.6 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | 158.6 | -170.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 179 | L | 30.1 | Very low | 31.6 | Very low | 181 Ų | 181 | 142 Ų | 142 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | trans | 84.9 | 145.3 | 170.6 | -53.9 | 177.2 | 0 | 0 | 0 | 121.2 | ||||
| 180 | T | 34.6 | Very low | 31.4 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -120.5 | -167.3 | 168 | 57.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 181 | P | 47.3 | Very low | 32.5 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -134.4 | -166.5 | -7.7 | 43.6 | -25.5 | 0 | 0 | 0 | 114.3 | ||||
| 182 | G | 29.9 | Very low | 33.4 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 171.9 | 143.4 | 164 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 183 | A | 29.8 | Very low | 33.4 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -89.1 | -175.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 184 | V | 31.7 | Very low | 33.1 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | -167 | 165.9 | 59.7 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 185 | M | 33.4 | Very low | 32.4 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 161.8 | 176.3 | -53 | 157.7 | 59.8 | 0 | 0 | 116.2 | ||||
| 186 | Q | 30.1 | Very low | 33.3 | Very low | 198 Ų | 198 | 137 Ų | 137 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | -173.3 | -173 | 117.3 | -102.8 | -173.1 | 29.6 | 0 | 0 | 114.4 | |||||
| 187 | D | 28.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -147 | 161.9 | -139.5 | -165.9 | -14.9 | 0 | 0 | 0 | 114.9 | ||||
| 188 | S | 30.3 | Very low | 33 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | trans | 75.4 | 135.7 | 148.8 | -78.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 189 | R | 27.9 | Very low | 33.2 | Very low | 221 Ų | 221 | 144.4 Ų | 144.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | 175.4 | 111.6 | 112.1 | -90.8 | 169.3 | -71.3 | -172.8 | 1.3 | 116.5 | |||||
| 190 | F | 27.7 | Very low | 33.6 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 150.7 | 145.5 | -66.5 | -80.2 | 0 | 0 | 0 | 125.6 | ||||
| 191 | P | 55.5 | Low | 33.4 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -108.3 | -164.8 | 178.3 | 46.7 | -36.2 | 0 | 0 | 0 | 112.5 | ||||
| 192 | P | 46.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | -161.8 | -174.2 | 75.1 | 39.3 | -13.9 | 0 | 0 | 0 | 119.4 | |||||
| 193 | L | 26.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 76.2 | 156.4 | 158.2 | -54 | 179.6 | 0 | 0 | 0 | 121.6 | ||||
| 194 | N | 24.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | cis | -170.7 | 128.7 | -47.9 | -124.9 | -26 | 0 | 0 | 0 | 114.7 | ||||
| 195 | L | 31.1 | Very low | 34.5 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 63.6 | 178.5 | 149.1 | -68.2 | 165.8 | 0 | 0 | 0 | 120.4 | ||||
| 196 | P | 48.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -139.9 | -167 | -69.3 | 41.5 | -22.9 | 0 | 0 | 0 | 116.7 | |||||
| 197 | R | 25.1 | Very low | 34 | Very low | 217 Ų | 217 | 134.1 Ų | 134.1 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | trans | 89.3 | 151.4 | 165.1 | -64.4 | -169 | 120.1 | 166.2 | -2.1 | 118.7 | ||||
| 198 | Q | 28.1 | Very low | 34.1 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -160.8 | 162.6 | -10.9 | -98.4 | -98.9 | 105.2 | 0 | 0 | 111.9 | ||||
| 199 | L | 30.2 | Very low | 34.7 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -84 | 172.3 | 164.5 | -93.5 | 162.7 | 0 | 0 | 0 | 111.4 | ||||
| 200 | P | 39.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -158.3 | 178.1 | 43.5 | 45.6 | -22.9 | 0 | 0 | 0 | 121.8 | ||||
| 201 | N | 28.9 | Very low | 34.9 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 43.1 | 133.8 | 143.6 | -61.9 | 5.3 | 0 | 0 | 0 | 125.6 | ||||
| 202 | A | 26.2 | Very low | 33.7 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | -172.1 | 164.2 | 124.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 203 | V | 29.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -142.2 | -166.8 | -178 | -137.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | P | 59.1 | Low | 33.4 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -107.7 | -166 | -137.3 | 42.1 | -23.1 | 0 | 0 | 0 | 114.9 | ||||
| 205 | P | 47.4 | Very low | 33.6 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -158.9 | 157.5 | 95.3 | 40.3 | -20.7 | 0 | 0 | 0 | 120 | |||||
| 206 | G | 25.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 83.7 | 164.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 207 | A | 28.2 | Very low | 32.7 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | cis | -169.3 | 132.1 | -19.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 208 | V | 30.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 177.3 | 154.3 | -115.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 209 | P | 42.5 | Very low | 33.4 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | -129 | 178.7 | -124.3 | 45.5 | -27.8 | 0 | 0 | 0 | 116.6 | |||||
| 210 | E | 28.2 | Very low | 33.4 | Very low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -164.2 | 165.2 | 139 | -118.3 | 163.7 | -178 | 0 | 0 | 113.8 | ||||
| 211 | E | 31.2 | Very low | 32.9 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -106 | -171.6 | -179.5 | -63.5 | -176.4 | 141.9 | 0 | 0 | 111.8 | ||||
| 212 | Y | 30.8 | Very low | 32.9 | Very low | 206 Ų | 206 | 147 Ų | 147 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | 82.1 | 125.9 | 171 | -70.7 | -92.9 | 0 | 0 | 0 | 119.9 | ||||
| 213 | L | 34.9 | Very low | 33.3 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | 62 | 91.8 | 150.4 | -60 | 171 | 0 | 0 | 0 | 119.2 | ||||
| 214 | R | 31.5 | Very low | 33.3 | Very low | 257 Ų | 257 | 152.6 Ų | 152.6 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | -154.9 | 134.3 | 124.9 | -111.1 | 158.1 | -145.9 | -123.5 | 1.3 | 114.1 | |||||
| 215 | S | 28.7 | Very low | 31.9 | Very low | 105 Ų | 105 | 152 Ų | 152 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -93.4 | 140 | -178.4 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 216 | F | 28.9 | Very low | 31.3 | Very low | 200 Ų | 200 | 154 Ų | 154 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | 32.4 | 104.8 | 150.5 | -74.3 | -91.8 | 0 | 0 | 0 | 119.4 | ||||
| 217 | R | 32.5 | Very low | 31.6 | Very low | 247 Ų | 247 | 161.7 Ų | 161.7 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | -167 | 128.4 | 126.4 | -76.2 | -146.9 | -175.4 | -164.8 | 0 | 112.1 | |||||
| 218 | P | 37.9 | Very low | 31.8 | Very low | 101 Ų | 101 | 164.6 Ų | 164.6 | 66% | 0.656 | 83% | 0.827 | S | S | * | * | trans | -107.3 | 159.8 | 134.7 | 34.9 | -29 | 0 | 0 | 0 | 109.4 | ||||
| 219 | Y | 29.4 | Very low | 31.5 | Very low | 226 Ų | 226 | 167.2 Ų | 167.2 | 89% | 0.886 | 83% | 0.83 | S | S | * | * | cis | -128.7 | 158.2 | 19.9 | -70.1 | -103.6 | 0 | 0 | 0 | 112.7 | ||||
| 220 | A | 29.5 | Very low | 30.8 | Very low | 90 Ų | 90 | 166.4 Ų | 166.4 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -147.6 | 117.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 221 | T | 30.2 | Very low | 31.5 | Very low | 140 Ų | 140 | 164.2 Ų | 164.2 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | 9.8 | 135.8 | 144.1 | 54.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 222 | A | 28.6 | Very low | 32 | Very low | 99 Ų | 99 | 162.3 Ų | 162.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -155.3 | 114.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 223 | E | 34.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -94.6 | 117.7 | 143.1 | -78.6 | -163.9 | 161.3 | 0 | 0 | 106.7 | ||||
| 224 | D | 29.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -165.7 | 167.2 | 148.6 | -143.1 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 225 | S | 29.6 | Very low | 32.3 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | 69 | 49.6 | 164.5 | -62.1 | 0 | 0 | 0 | 0 | 118.4 | R227 | S225-R227 PolarHBondContact O-N 2.69Š| ||
| 226 | L | 33.8 | Very low | 32.9 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -73.5 | 96.4 | 141.2 | -95.3 | 175.8 | 0 | 0 | 0 | 109.4 | M228 | L226-M228 HydrophobicContact CD2-CE 4.29Š| ||
| 227 | R | 30.9 | Very low | 33.8 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 116.3 | 166.4 | -113.1 | -178.6 | -179.8 | 145 | 3.1 | 110.5 | S225 | S225-R227 PolarHBondContact O-N 2.69Š| ||
| 228 | M | 32.7 | Very low | 34.5 | Very low | 153 Ų | 153 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 147.4 | 176.6 | -68.8 | -76.4 | 103.2 | 0 | 0 | 112 | L226 | L226-M228 HydrophobicContact CD2-CE 4.29Š| ||
| 229 | Q | 25.3 | Very low | 35 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -132.1 | 148 | 145 | -96 | -172.1 | -7.9 | 0 | 0 | 108.8 | ||||
| 230 | S | 28.8 | Very low | 35.9 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | trans | -147.2 | 131 | -146.3 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 231 | L | 41.2 | Very low | 36.8 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 65.5 | 145.3 | 151.9 | -55.8 | 172.7 | 0 | 0 | 0 | 116.4 | ||||
| 232 | P | 41.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | -141.4 | 165.2 | 76.7 | 28.2 | -7.2 | 0 | 0 | 0 | 114.9 | |||||
| 233 | L | 38.1 | Very low | 38.5 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | cis | -167.7 | 170.9 | -27 | -141.9 | 115.1 | 0 | 0 | 0 | 108 | ||||
| 234 | G | 32.2 | Very low | 39.3 | Very low | 63 Ų | 63 | 117.7 Ų | 117.7 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | 118.1 | 72.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 235 | L | 34.9 | Very low | 40 | Very low | 172 Ų | 172 | 114 Ų | 114 | 90% | 0.901 | 70% | 0.699 | S | S | * | * | trans | -138.6 | 157.6 | 149.5 | -82.3 | -177.1 | 0 | 0 | 0 | 110.4 | ||||
| 236 | D | 40.9 | Very low | 40.8 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 55% | 0.551 | 71% | 0.705 | S | S | * | * | trans | -80.3 | 146.4 | -167 | -179.5 | 82.9 | 0 | 0 | 0 | 114.2 | A238 A239 | D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.06Å; D236-A238 VanDerWaalsContact OD2-CB 3.27Å; D236-A238 WeakPolarHBondContact OD2-CB 3.47Å; D236-A238 PolarHBondContact OD2-N 2.97Å; D236-A239 PolarHBondContact O-N 2.79Å | ||
| 237 | P | 48.6 | Very low | 41.2 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -59.1 | -26.2 | -178.1 | -26.3 | 36.6 | 0 | 0 | 0 | 115.8 | A239 | P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.92Å |
| 238 | A | 46.4 | Very low | 41.4 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69.1 | -31.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D236 | D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.06Å; D236-A238 VanDerWaalsContact OD2-CB 3.27Å; D236-A238 WeakPolarHBondContact OD2-CB 3.47Å; D236-A238 PolarHBondContact OD2-N 2.97Å |
| 239 | A | 47.9 | Very low | 41.6 | Very low | 58 Ų | 58 | 116.4 Ų | 116.4 | 48% | 0.479 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -71 | -32.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D236 P237 A241 A242 A243 | D236-A239 PolarHBondContact O-N 2.79Å; P237-A239 VanDerWaalsContact C-N 3.33Å; P237-A239 PolarHBondContact O-N 2.92Å; A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.48Å; A239-A242 PolarHBondContact O-N 3.11Å; A239-A243 PolarHBondContact O-N 2.87Å |
| 240 | A | 48.2 | Very low | 42 | Very low | 68 Ų | 68 | 111.3 Ų | 111.3 | 56% | 0.562 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -66.1 | -35.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A243 A244 | A240-A243 PolarHBondContact O-N 3.49Å; A240-A244 PolarHBondContact O-N 3.33Å |
| 241 | A | 48.8 | Very low | 42.9 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.7 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A239 A244 | A239-A241 VanDerWaalsContact C-N 3.35Å; A239-A241 PolarHBondContact O-N 3.48Å; A241-A244 PolarHBondContact O-N 3.27Å |
| 242 | A | 48.4 | Very low | 42.8 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.7 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A239 A244 | A239-A242 PolarHBondContact O-N 3.11Å; A242-A244 VanDerWaalsContact C-N 3.35Å |
| 243 | A | 47.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 117.5 Ų | 117.5 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.2 | -32 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A239 A240 A245 | A239-A243 PolarHBondContact O-N 2.87Å; A240-A243 PolarHBondContact O-N 3.49Å; A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 2.82Å |
| 244 | A | 50 | Low | 42 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69.9 | -20.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | A240 A241 A242 Y246 | A240-A244 PolarHBondContact O-N 3.33Å; A241-A244 PolarHBondContact O-N 3.27Å; A242-A244 VanDerWaalsContact C-N 3.35Å; A244-Y246 VanDerWaalsContact C-N 3.33Å; A244-Y246 PolarHBondContact O-N 2.9Å |
| 245 | A | 44.2 | Very low | 42.4 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 63% | 0.628 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -11.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A243 | A243-A245 VanDerWaalsContact C-N 3.28Å; A243-A245 PolarHBondContact O-N 2.82Å |
| 246 | Y | 46.1 | Very low | 42.2 | Very low | 208 Ų | 208 | 118.4 Ų | 118.4 | 82% | 0.816 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 2.1 | -172.2 | -100.3 | -86.5 | 0 | 0 | 0 | 115.7 | A244 | A244-Y246 VanDerWaalsContact C-N 3.33Å; A244-Y246 PolarHBondContact O-N 2.9Å |
| 247 | Y | 43.4 | Very low | 41.6 | Very low | 213 Ų | 213 | 123.6 Ų | 123.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -135.1 | 88.4 | 177.7 | -81.2 | -87.6 | 0 | 0 | 0 | 112.2 | ||||
| 248 | H | 33.9 | Very low | 40.8 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -87.5 | 148.4 | 166 | -110.4 | -96.1 | 0 | 0 | 0 | 111.2 | S250 | H248-S250 PolarHBondContact O-N 3.47Š| ||
| 249 | P | 38.2 | Very low | 40.5 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -89.6 | 50.4 | -153 | 36.9 | -38.9 | 0 | 0 | 0 | 114.8 | ||
| 250 | S | 34.1 | Very low | 39.6 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -91.1 | -6.3 | -175.3 | -52.7 | 0 | 0 | 0 | 0 | 115.5 | H248 | H248-S250 PolarHBondContact O-N 3.47Š| ||
| 251 | Y | 47.6 | Very low | 39 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -142.3 | 50.8 | -166.5 | -71.4 | -74.4 | 0 | 0 | 0 | 115.8 | ||
| 252 | L | 38.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -142.9 | 137.8 | 150.5 | -80.4 | -175.4 | 0 | 0 | 0 | 110.4 | ||||
| 253 | P | 33.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 134.3 | 179.7 | 32.7 | -33.4 | 0 | 0 | 0 | 112.3 | ||
| 254 | H | 29.6 | Very low | 37.2 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 139.5 | 169.2 | -77.7 | -90 | 0 | 0 | 0 | 111.5 | ||
| 255 | P | 39.9 | Very low | 37 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 130.6 | 164.5 | 32.8 | -30.9 | 0 | 0 | 0 | 110.3 | ||
| 256 | S | 31.1 | Very low | 36.6 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -129.8 | 141.9 | 172.8 | 55 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 257 | F | 27.9 | Very low | 36.2 | Very low | 211 Ų | 211 | 143.9 Ų | 143.9 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -79.7 | 145.6 | 177 | -77.6 | -105.2 | 0 | 0 | 0 | 111.1 | ||||
| 258 | T | 31.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -130.6 | 134.8 | 165 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 259 | P | 40.4 | Very low | 35.4 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -98.1 | 120.2 | -179.4 | 34.1 | -31.5 | 0 | 0 | 0 | 114.3 | ||||
| 260 | Y | 30.2 | Very low | 35 | Very low | 215 Ų | 215 | 137.3 Ų | 137.3 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | 24.6 | 117 | 144.8 | -88.6 | -90.2 | 0 | 0 | 0 | 121.6 | ||||
| 261 | R | 34.5 | Very low | 35 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 60% | 0.596 | 76% | 0.758 | S | S | * | * | 176.1 | 129.5 | 97.4 | -93.1 | -154.2 | 177.4 | -156.9 | -0.3 | 110.9 | P710 | R261-P710 PolarHBondContact NH2-O 2.85Å; R261-P710 VanDerWaalsContact NH2-O 3.08Å | |||
| 262 | M | 30.4 | Very low | 34.4 | Very low | 96 Ų | 96 | 143 Ų | 143 | 47% | 0.473 | 76% | 0.761 | S | S | . | * | 61 | 135.3 | 102.3 | -70.1 | -177.5 | 136.2 | 0 | 0 | 115.6 | |||||
| 263 | D | 36.9 | Very low | 33.8 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 51% | 0.508 | 76% | 0.756 | S | S | . | * | cis | -154.8 | 167.8 | 5 | -111.5 | -24.8 | 0 | 0 | 0 | 113 | S712 | D263-S712 PolarHBondContact OD2-OG 2.89Š| ||
| 264 | D | 39.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | trans | -77.6 | 168.3 | 174.8 | -173.9 | 53.4 | 0 | 0 | 0 | 112.8 | F266 | D264-F266 PolarHBondContact OD2-N 3.47Š| ||
| 265 | P | 46 | Very low | 34.8 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | -152.6 | 124.6 | 109.2 | 33.8 | -13.7 | 0 | 0 | 0 | 118 | |||||
| 266 | F | 36.9 | Very low | 34.7 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 157 | 140.7 | -74.8 | -66.3 | 0 | 0 | 0 | 118.9 | D264 L268 | D264-F266 PolarHBondContact OD2-N 3.47Å; F266-L268 HydrophobicContact CD1-CD2 4.43Å | ||
| 267 | C | 35.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -157.5 | 148.4 | 8.1 | -116.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 268 | L | 30.9 | Very low | 36.1 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | cis | -150.1 | 163.5 | -8.3 | -78.5 | 179.3 | 0 | 0 | 0 | 108.2 | F266 | F266-L268 HydrophobicContact CD1-CD2 4.43Š| ||
| 269 | S | 29.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | 169.7 | 64 | 132.6 | 49.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 270 | A | 30 | Very low | 36.4 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | -153.2 | 119.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 271 | L | 34.7 | Very low | 36.4 | Very low | 184 Ų | 184 | 135 Ų | 135 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | trans | -123.3 | 102.6 | 159.2 | -79.6 | 179.7 | 0 | 0 | 0 | 109.6 | ||||
| 272 | R | 35.2 | Very low | 36.2 | Very low | 245 Ų | 245 | 131.3 Ų | 131.3 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -146 | 118.1 | 155.7 | -148.5 | 170.6 | -171.5 | -179.2 | 0.1 | 110 | ||||
| 273 | S | 26.4 | Very low | 36.2 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 145.1 | -176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 274 | P | 54.8 | Low | 36.2 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -101.6 | 142.6 | 177.7 | 36.9 | -31.6 | 0 | 0 | 0 | 113.8 | ||||
| 275 | F | 28 | Very low | 36.4 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -144 | 144.9 | 152.7 | -88.4 | -79.9 | 0 | 0 | 0 | 109.5 | ||||
| 276 | Y | 39.1 | Very low | 36.1 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -106.5 | 179 | -174.3 | -93.6 | -101.5 | 0 | 0 | 0 | 110.5 | ||||
| 277 | P | 45.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | cis | -134 | -177 | 9.3 | 35.2 | -13.3 | 0 | 0 | 0 | 117.1 | ||||
| 278 | L | 41.7 | Very low | 36 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -107.7 | 156 | 170.5 | -85.3 | 161.3 | 0 | 0 | 0 | 111.8 | ||||
| 279 | P | 44.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -145.9 | 171 | 111.5 | 39.4 | -26.4 | 0 | 0 | 0 | 113.9 | |||||
| 280 | A | 33.6 | Very low | 37.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | cis | -172.4 | 148.2 | -31.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 281 | G | 29.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 150.7 | 132.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 282 | G | 30.3 | Very low | 37.5 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 71.2 | 78.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 283 | A | 31.6 | Very low | 37.3 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 81.7 | 70.5 | 53 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 284 | L | 36.3 | Very low | 37.8 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -141 | 150.9 | 141.1 | -79.3 | -174.4 | 0 | 0 | 0 | 108.3 | ||||
| 285 | P | 44.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 141.9 | -172.3 | 31.3 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 286 | P | 39.5 | Very low | 37.1 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.5 | 162.9 | -12.4 | 28.3 | 0 | 0 | 0 | 110.6 | ||
| 287 | L | 36.8 | Very low | 37.2 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 152.5 | 173.7 | -77.3 | 165 | 0 | 0 | 0 | 111.9 | ||
| 288 | H | 34.8 | Very low | 36.6 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.6 | -171.2 | -173.4 | -82.3 | 0 | 0 | 0 | 113.6 | S290 | H288-S290 PolarHBondContact O-N 3.06Š|
| 289 | P | 42.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -65.5 | 94.8 | 172.3 | 28.1 | -36.1 | 0 | 0 | 0 | 111.9 | ||
| 290 | S | 44.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 72.4 | 163.6 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | H288 | H288-S290 PolarHBondContact O-N 3.06Š| ||
| 291 | A | 34.9 | Very low | 35.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -146.4 | 71.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | H293 | A291-H293 PolarHBondContact O-N 3Š| ||
| 292 | V | 34.1 | Very low | 36.3 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -68.5 | 116.8 | 168.9 | -84.6 | 0 | 0 | 0 | 0 | 109.6 | M294 | V292-M294 PolarHBondContact O-N 3.16Å; V292-M294 VanDerWaalsContact O-N 3.11Å | ||
| 293 | H | 29.9 | Very low | 36.2 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 93.2 | -167.8 | -175.7 | 52 | 0 | 0 | 0 | 112.7 | A291 H295 | A291-H293 PolarHBondContact O-N 3Å; H293-H295 AromaticContact CD2-CD2 3.67Å; H293-H295 AromaticContact CD2-NE2 3.86Å; H293-H295 AromaticContact CE1-CE1 3.79Å; H293-H295 AromaticContact CE1-ND1 3.96Å; H293-H295 AromaticContact CE1-NE2 3.82Å; H293-H295 AromaticContact NE2-CD2 3.11Å; H293-H295 PolarHBondContact NE2-CD2 3.16Å; H293-H295 AromaticContact NE2-CE1 3.34Å; H293-H295 PolarHBondContact NE2-CE1 3.24Å; H293-H295 VanDerWaalsContact NE2-CE1 3.34Å; H293-H295 AromaticContact NE2-CG 3.58Å; H293-H295 AromaticContact NE2-ND1 3.71Å; H293-H295 AromaticContact NE2-NE2 2.93Å; H293-H295 PolarHBondContact NE2-NE2 3.37Å; H293-H295 PolarHBondContact O-N 2.87Å | ||
| 294 | M | 37 | Very low | 36.4 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 94.1 | 172.8 | -77.8 | -68.1 | -69.6 | 0 | 0 | 111.3 | V292 L296 | V292-M294 PolarHBondContact O-N 3.16Å; V292-M294 VanDerWaalsContact O-N 3.11Å; M294-L296 HydrophobicContact CE-CD1 3.94Å; M294-L296 PolarHBondContact O-N 3.32Å; M294-L296 VanDerWaalsContact O-N 3.11Å | ||
| 295 | H | 32.7 | Very low | 36.2 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -68.1 | 103.2 | 166 | -93.3 | -54.4 | 0 | 0 | 0 | 111.1 | H293 | H293-H295 AromaticContact CD2-CD2 3.67Å; H293-H295 AromaticContact CD2-NE2 3.86Å; H293-H295 AromaticContact CE1-CE1 3.79Å; H293-H295 AromaticContact CE1-ND1 3.96Å; H293-H295 AromaticContact CE1-NE2 3.82Å; H293-H295 AromaticContact NE2-CD2 3.11Å; H293-H295 PolarHBondContact NE2-CD2 3.16Å; H293-H295 AromaticContact NE2-CE1 3.34Å; H293-H295 PolarHBondContact NE2-CE1 3.24Å; H293-H295 VanDerWaalsContact NE2-CE1 3.34Å; H293-H295 AromaticContact NE2-CG 3.58Å; H293-H295 AromaticContact NE2-ND1 3.71Å; H293-H295 AromaticContact NE2-NE2 2.93Å; H293-H295 PolarHBondContact NE2-NE2 3.37Å; H293-H295 PolarHBondContact O-N 2.87Å | ||
| 296 | L | 35.3 | Very low | 35.5 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | -110.3 | 127 | 151.3 | -84.7 | 82.8 | 0 | 0 | 0 | 109.1 | M294 | M294-L296 HydrophobicContact CE-CD1 3.94Å; M294-L296 PolarHBondContact O-N 3.32Å; M294-L296 VanDerWaalsContact O-N 3.11Å | ||
| 297 | P | 41.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -90.5 | 148.4 | 174.4 | 34.9 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 298 | G | 32.8 | Very low | 35.4 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 110.6 | 91.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 299 | V | 36.8 | Very low | 35.1 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -102.6 | 112.1 | 160.2 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 300 | R | 36.1 | Very low | 34.6 | Very low | 244 Ų | 244 | 140.4 Ų | 140.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -148.7 | 122.6 | 159.8 | -74.9 | -60.6 | -167.2 | 162.8 | 4 | 109.5 | ||||
| 301 | Y | 31.5 | Very low | 34 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 173.1 | 161.9 | -85.2 | -94.1 | 0 | 0 | 0 | 110.5 | ||||
| 302 | P | 39.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | -117.9 | 178.6 | -62.6 | 31.6 | -13.5 | 0 | 0 | 0 | 110.7 | |||||
| 303 | G | 28.3 | Very low | 34 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -144.5 | 15.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 304 | D | 36.3 | Very low | 34 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -85.8 | 142.3 | 170.5 | -49.5 | -69.6 | 0 | 0 | 0 | 109.2 | ||||
| 305 | F | 31.4 | Very low | 34.1 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | cis | -140.3 | 138.8 | 31.3 | -84.4 | -108.4 | 0 | 0 | 0 | 113.3 | ||||
| 306 | A | 28.9 | Very low | 34.5 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | 178.3 | 121.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 307 | H | 31.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | cis | -148.8 | 165.2 | -15.6 | -70.2 | -77.7 | 0 | 0 | 0 | 107.2 | ||||
| 308 | P | 42.6 | Very low | 34.5 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -145.2 | 122.3 | 124.9 | 34 | -19 | 0 | 0 | 0 | 114.4 | |||||
| 309 | S | 30 | Very low | 35.2 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 176 | 101.9 | 138.2 | -83.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 310 | L | 30.8 | Very low | 35.4 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 94% | 0.937 | 75% | 0.752 | S | S | * | * | trans | -150.9 | 99.9 | 143.7 | -86.6 | -167.1 | 0 | 0 | 0 | 109.3 | ||||
| 311 | S | 32.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -128.2 | 83.8 | 166.4 | -73 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 312 | A | 32.6 | Very low | 36.9 | Very low | 83 Ų | 83 | 120.1 Ų | 120.1 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | trans | -168.9 | 117.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 313 | L | 35.7 | Very low | 37.2 | Very low | 160 Ų | 160 | 118.8 Ų | 118.8 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | 45.3 | 118.5 | 137.1 | -53.2 | 177.8 | 0 | 0 | 0 | 117.6 | ||||
| 314 | Q | 30.4 | Very low | 38.4 | Very low | 173 Ų | 173 | 119 Ų | 119 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | cis | -160.8 | 156.4 | 45.7 | -114 | 154.3 | 24.2 | 0 | 0 | 112.8 | ||||
| 315 | S | 40.1 | Very low | 39.3 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 30.5 | 96.5 | 157.2 | 58.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 316 | E | 39.5 | Very low | 40.7 | Very low | 184 Ų | 184 | 115.9 Ų | 115.9 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | S | Bend | -176.7 | 162 | 91.9 | -95.6 | -168.1 | -164.1 | 0 | 0 | 112.9 | |||
| 317 | S | 37.4 | Very low | 41.9 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | trans | 28.8 | 91.6 | 170.7 | -162.8 | 0 | 0 | 0 | 0 | 119.1 | C319 | S317-C319 PolarHBondContact O-N 3.34Å; S317-C319 VanDerWaalsContact O-N 3.11Å | ||
| 318 | P | 40.6 | Very low | 43.5 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.2 | -5.8 | 177 | 29.6 | -35.9 | 0 | 0 | 0 | 114.8 | C322 | P318-C322 PolarHBondContact O-SG 2.75Å |
| 319 | C | 46 | Very low | 44.7 | Very low | 44 Ų | 44 | 113.8 Ų | 113.8 | 30% | 0.297 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77.8 | -39.6 | -172.6 | -165 | 0 | 0 | 0 | 0 | 113 | S317 F323 M843 | S317-C319 PolarHBondContact O-N 3.34Å; S317-C319 VanDerWaalsContact O-N 3.11Å; C319-F323 PolarHBondContact O-N 3.25Å; C319-M843 HydrophobicContact CB-CE 3.89Å |
| 320 | A | 42.6 | Very low | 46.3 | Very low | 60 Ų | 60 | 112.2 Ų | 112.2 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.5 | -41.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C322 F323 S324 | A320-C322 VanDerWaalsContact C-N 3.31Å; A320-C322 PolarHBondContact O-N 3.13Å; A320-F323 PolarHBondContact O-N 2.62Å; A320-F323 VanDerWaalsContact O-N 3.13Å; A320-S324 PolarHBondContact O-N 3.15Å; A320-S324 PolarHBondContact O-OG 3.16Å |
| 321 | I | 50.2 | Low | 48.3 | Very low | 123 Ų | 123 | 107.5 Ų | 107.5 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.9 | -39.7 | -178.7 | -59.8 | 174.9 | 0 | 0 | 0 | 110.8 | F323 R325 | I321-F323 PolarHBondContact O-N 2.89Å; I321-R325 WeakPolarHBondContact O-CB 3.22Å; I321-R325 PolarHBondContact O-N 3.34Å |
| 322 | C | 48.6 | Very low | 49.8 | Very low | 72 Ų | 72 | 106.2 Ų | 106.2 | 49% | 0.486 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | P318 A320 L326 | P318-C322 PolarHBondContact O-SG 2.75Å; A320-C322 VanDerWaalsContact C-N 3.31Å; A320-C322 PolarHBondContact O-N 3.13Å; C322-L326 WeakPolarHBondContact O-CG 3.37Å; C322-L326 PolarHBondContact O-N 3.41Å; C322-L326 VanDerWaalsContact O-N 3.14Å |
| 323 | F | 45.7 | Very low | 51.4 | Low | 92 Ų | 92 | 109 Ų | 109 | 40% | 0.404 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.1 | -46.6 | 178.5 | -155.9 | -84.4 | 0 | 0 | 0 | 111.9 | C319 A320 I321 R325 L326 Q327 K845 | C319-F323 PolarHBondContact O-N 3.25Å; A320-F323 PolarHBondContact O-N 2.62Å; A320-F323 VanDerWaalsContact O-N 3.13Å; I321-F323 PolarHBondContact O-N 2.89Å; F323-R325 VanDerWaalsContact C-N 3.32Å; F323-R325 PolarHBondContact O-N 2.81Å; F323-L326 PolarHBondContact O-N 2.92Å; F323-Q327 WeakPolarHBondContact O-CB 3.21Å; F323-Q327 PolarHBondContact O-N 2.8Å; F323-K845 HydrophobicContact CE2-CD 4.18Å; F323-K845 VanDerWaalsContact CE2-CE 3.48Å; F323-K845 HydrophobicContact CZ-CD 4.41Å |
| 324 | S | 52.2 | Low | 52.6 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -37.4 | 177 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | A320 Q327 L328 | A320-S324 PolarHBondContact O-N 3.15Å; A320-S324 PolarHBondContact O-OG 3.16Å; S324-Q327 PolarHBondContact O-N 2.72Å; S324-L328 PolarHBondContact O-N 3.3Å |
| 325 | R | 56 | Low | 54.5 | Low | 180 Ų | 180 | 105.1 Ų | 105.1 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 177.7 | -161.6 | 179.4 | 80.9 | -168.9 | 4.2 | 112.1 | I321 F323 L328 E329 | I321-R325 WeakPolarHBondContact O-CB 3.22Å; I321-R325 PolarHBondContact O-N 3.34Å; F323-R325 VanDerWaalsContact C-N 3.32Å; F323-R325 PolarHBondContact O-N 2.81Å; R325-L328 PolarHBondContact O-N 3.07Å; R325-E329 WeakPolarHBondContact O-CB 3.44Å; R325-E329 PolarHBondContact O-N 3.45Å |
| 326 | L | 60.9 | Low | 55.9 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.4 | -72.6 | 169.2 | 0 | 0 | 0 | 112 | C322 F323 E329 D330 | C322-L326 WeakPolarHBondContact O-CG 3.37Å; C322-L326 PolarHBondContact O-N 3.41Å; C322-L326 VanDerWaalsContact O-N 3.14Å; F323-L326 PolarHBondContact O-N 2.92Å; L326-E329 PolarHBondContact O-N 2.83Å; L326-D330 PolarHBondContact O-N 2.99Å |
| 327 | Q | 54.3 | Low | 57.2 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.9 | -173.7 | 168.7 | -19.1 | 0 | 0 | 111.9 | F323 S324 E331 | F323-Q327 WeakPolarHBondContact O-CB 3.21Å; F323-Q327 PolarHBondContact O-N 2.8Å; S324-Q327 PolarHBondContact O-N 2.72Å; Q327-E331 WeakPolarHBondContact O-CB 3.3Å; Q327-E331 PolarHBondContact O-N 2.77Å |
| 328 | L | 65.4 | Low | 58.7 | Low | 111 Ų | 111 | 103 Ų | 103 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.3 | -36.2 | 174.2 | -152.7 | 82.7 | 0 | 0 | 0 | 112.2 | S324 R325 E331 L332 | S324-L328 PolarHBondContact O-N 3.3Å; R325-L328 PolarHBondContact O-N 3.07Å; L328-E331 PolarHBondContact O-N 3.42Å; L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 PolarHBondContact O-N 2.89Å |
| 329 | E | 66.8 | Low | 60.1 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 177.1 | -172 | 173.2 | -177 | 0 | 0 | 111.5 | R325 L326 L332 R333 | R325-E329 WeakPolarHBondContact O-CB 3.44Å; R325-E329 PolarHBondContact O-N 3.45Å; L326-E329 PolarHBondContact O-N 2.83Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.31Å; E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 PolarHBondContact O-N 2.86Å |
| 330 | D | 64.9 | Low | 61.2 | Low | 80 Ų | 80 | 107.3 Ų | 107.3 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.1 | -27.8 | 175.8 | -105.3 | -35.2 | 0 | 0 | 0 | 113.2 | L326 R333 Q334 R337 | L326-D330 PolarHBondContact O-N 2.99Å; D330-R333 CarbonylContact O-C 2.74Å; D330-R333 PolarHBondContact O-N 3.15Å; D330-R333 IonicContact OD1-NH1 3.9Å; D330-Q334 WeakPolarHBondContact O-CB 3.36Å; D330-Q334 PolarHBondContact O-N 2.88Å; D330-R337 IonicContact OD1-NH2 2.64Å; D330-R337 PolarHBondContact OD1-NH2 3.15Å |
| 331 | E | 71.4 | Confident | 62.4 | Low | 80 Ų | 80 | 110.1 Ų | 110.1 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 171.6 | -158.3 | -159.5 | 136.2 | 0 | 0 | 111.7 | Q327 L328 R333 Q334 R335 | Q327-E331 WeakPolarHBondContact O-CB 3.3Å; Q327-E331 PolarHBondContact O-N 2.77Å; L328-E331 PolarHBondContact O-N 3.42Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.07Å; E331-Q334 WeakPolarHBondContact O-CB 3.37Å; E331-Q334 PolarHBondContact O-N 3.3Å; E331-Q334 VanDerWaalsContact O-N 3.1Å; E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.86Å; E331-R335 IonicContact OE1-CZ 2.76Å; E331-R335 IonicContact OE1-NE 2.7Å; E331-R335 PolarHBondContact OE1-NE 2.89Å; E331-R335 IonicContact OE1-NH2 2.75Å; E331-R335 PolarHBondContact OE1-NH2 2.89Å |
| 332 | L | 64.3 | Low | 63.3 | Low | 102 Ų | 102 | 110.2 Ų | 110.2 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 169.9 | -92.3 | 162.6 | 0 | 0 | 0 | 111.2 | L328 E329 Q334 R335 E336 | L328-L332 WeakPolarHBondContact O-CB 3.44Å; L328-L332 PolarHBondContact O-N 2.89Å; E329-L332 WeakPolarHBondContact O-CB 3.19Å; E329-L332 PolarHBondContact O-N 3.31Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.94Å; L332-R335 PolarHBondContact O-N 2.73Å; L332-E336 WeakPolarHBondContact O-CB 3.23Å; L332-E336 PolarHBondContact O-N 3.04Å |
| 333 | R | 67.2 | Low | 64.5 | Low | 140 Ų | 140 | 113.5 Ų | 113.5 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -29 | 176.8 | -149.6 | 172.5 | 179.5 | -160.7 | 6.8 | 112.5 | E329 D330 E331 R337 | E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 PolarHBondContact O-N 2.86Å; D330-R333 CarbonylContact O-C 2.74Å; D330-R333 PolarHBondContact O-N 3.15Å; D330-R333 IonicContact OD1-NH1 3.9Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.07Å; R333-R337 WeakPolarHBondContact O-CD 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.48Å; R333-R337 PolarHBondContact O-N 2.76Å; R333-R337 VanDerWaalsContact O-N 3.11Å; R333-R337 PolarHBondContact O-NH1 2.87Å |
| 334 | Q | 60.3 | Low | 65.8 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.3 | -44.9 | 172.7 | -176.3 | 163.1 | -33.6 | 0 | 0 | 111.5 | D330 E331 L332 E336 R337 E338 | D330-Q334 WeakPolarHBondContact O-CB 3.36Å; D330-Q334 PolarHBondContact O-N 2.88Å; E331-Q334 WeakPolarHBondContact O-CB 3.37Å; E331-Q334 PolarHBondContact O-N 3.3Å; E331-Q334 VanDerWaalsContact O-N 3.1Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.94Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; Q334-R337 PolarHBondContact O-N 2.88Å; Q334-E338 WeakPolarHBondContact O-CB 3.17Å; Q334-E338 PolarHBondContact O-N 2.77Å |
| 335 | R | 70.9 | Confident | 66.7 | Low | 130 Ų | 130 | 118 Ų | 118 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 172.5 | -66.6 | 172.7 | -178.1 | -130.6 | 10.5 | 112 | E331 L332 R339 | E331-R335 WeakPolarHBondContact O-CG 3.3Å; E331-R335 PolarHBondContact O-N 2.86Å; E331-R335 IonicContact OE1-CZ 2.76Å; E331-R335 IonicContact OE1-NE 2.7Å; E331-R335 PolarHBondContact OE1-NE 2.89Å; E331-R335 IonicContact OE1-NH2 2.75Å; E331-R335 PolarHBondContact OE1-NH2 2.89Å; L332-R335 PolarHBondContact O-N 2.73Å; R335-R339 WeakPolarHBondContact O-CD 3.36Å; R335-R339 VanDerWaalsContact O-CG 3.27Å; R335-R339 WeakPolarHBondContact O-CG 2.69Å; R335-R339 PolarHBondContact O-N 2.65Å |
| 336 | E | 68.4 | Low | 67.5 | Low | 116 Ų | 116 | 115 Ų | 115 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -52.5 | 172.6 | -177.1 | 172.9 | -130.5 | 0 | 0 | 112.3 | L332 Q334 E338 R339 E340 | L332-E336 WeakPolarHBondContact O-CB 3.23Å; L332-E336 PolarHBondContact O-N 3.04Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; E336-E338 PolarHBondContact O-N 3.35Å; E336-E338 VanDerWaalsContact O-N 3.13Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-E340 PolarHBondContact O-N 2.97Å |
| 337 | R | 67.9 | Low | 68.2 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.9 | -26.7 | 173.6 | -65.2 | 164.1 | -159 | 127.6 | -9.1 | 112.4 | D330 R333 Q334 R341 | D330-R337 IonicContact OD1-NH2 2.64Å; D330-R337 PolarHBondContact OD1-NH2 3.15Å; R333-R337 WeakPolarHBondContact O-CD 3.25Å; R333-R337 WeakPolarHBondContact O-CG 3.48Å; R333-R337 PolarHBondContact O-N 2.76Å; R333-R337 VanDerWaalsContact O-N 3.11Å; R333-R337 PolarHBondContact O-NH1 2.87Å; Q334-R337 PolarHBondContact O-N 2.88Å; R337-R341 VanDerWaalsContact O-CG 3.32Å; R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.25Å; R337-R341 PolarHBondContact O-NH1 3.3Å; R337-R341 VanDerWaalsContact O-NH1 3.16Å |
| 338 | E | 68.6 | Low | 69 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.4 | -48.5 | 175.9 | -170.8 | 155 | -127.9 | 0 | 0 | 112.5 | Q334 E336 E340 R341 E342 | Q334-E338 WeakPolarHBondContact O-CB 3.17Å; Q334-E338 PolarHBondContact O-N 2.77Å; E336-E338 PolarHBondContact O-N 3.35Å; E336-E338 VanDerWaalsContact O-N 3.13Å; E338-E340 PolarHBondContact O-N 2.95Å; E338-R341 PolarHBondContact O-N 2.7Å; E338-E342 PolarHBondContact O-N 3.21Å |
| 339 | R | 70.3 | Confident | 69.4 | Low | 116 Ų | 116 | 118.7 Ų | 118.7 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -32.2 | 171.8 | -68.2 | 162.5 | -176.5 | 152.6 | -3.5 | 112.6 | R335 E336 E342 R343 | R335-R339 WeakPolarHBondContact O-CD 3.36Å; R335-R339 VanDerWaalsContact O-CG 3.27Å; R335-R339 WeakPolarHBondContact O-CG 2.69Å; R335-R339 PolarHBondContact O-N 2.65Å; E336-R339 PolarHBondContact O-N 3.17Å; R339-E342 PolarHBondContact O-N 2.98Å; R339-R343 WeakPolarHBondContact O-CD 3.33Å; R339-R343 VanDerWaalsContact O-CG 3.23Å; R339-R343 WeakPolarHBondContact O-CG 3.02Å; R339-R343 PolarHBondContact O-N 3.33Å |
| 340 | E | 67.6 | Low | 69.8 | Low | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -48.2 | 174.4 | -172.8 | 171.4 | -137.9 | 0 | 0 | 111.7 | E336 E338 E342 R343 E344 | E336-E340 PolarHBondContact O-N 2.97Å; E338-E340 PolarHBondContact O-N 2.95Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 3.23Å; E340-E344 PolarHBondContact O-N 2.65Å |
| 341 | R | 68.8 | Low | 70.1 | Confident | 118 Ų | 118 | 122.5 Ų | 122.5 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -27.5 | 174.3 | -65.1 | 174.1 | -156 | 116.8 | -7.7 | 113 | R337 E338 R345 | R337-R341 VanDerWaalsContact O-CG 3.32Å; R337-R341 WeakPolarHBondContact O-CG 3.38Å; R337-R341 PolarHBondContact O-N 3.25Å; R337-R341 PolarHBondContact O-NH1 3.3Å; R337-R341 VanDerWaalsContact O-NH1 3.16Å; E338-R341 PolarHBondContact O-N 2.7Å; R341-R345 WeakPolarHBondContact O-CD 3.38Å; R341-R345 VanDerWaalsContact O-CG 3.27Å; R341-R345 WeakPolarHBondContact O-CG 3.19Å; R341-R345 PolarHBondContact O-N 2.67Å |
| 342 | E | 69.4 | Low | 70.2 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.2 | -48.6 | 172.7 | -172.9 | 167.3 | -137.1 | 0 | 0 | 111.5 | E338 R339 E340 E344 R345 E346 | E338-E342 PolarHBondContact O-N 3.21Å; R339-E342 PolarHBondContact O-N 2.98Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact C-N 3.27Å; E342-E344 PolarHBondContact O-N 3.27Å; E342-R345 PolarHBondContact O-N 2.66Å; E342-E346 PolarHBondContact O-N 3.07Å |
| 343 | R | 74.4 | Confident | 70.8 | Confident | 140 Ų | 140 | 122.2 Ų | 122.2 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -32.7 | 173.7 | -66.7 | 161.3 | -172.9 | 154.1 | -2.8 | 112.9 | R339 E340 E346 K347 | R339-R343 WeakPolarHBondContact O-CD 3.33Å; R339-R343 VanDerWaalsContact O-CG 3.23Å; R339-R343 WeakPolarHBondContact O-CG 3.02Å; R339-R343 PolarHBondContact O-N 3.33Å; E340-R343 PolarHBondContact O-N 3.23Å; R343-E346 PolarHBondContact O-N 3.16Å; R343-K347 WeakPolarHBondContact O-CB 3.47Å; R343-K347 WeakPolarHBondContact O-CG 3.2Å; R343-K347 PolarHBondContact O-N 2.82Å |
| 344 | E | 71.1 | Confident | 71.2 | Confident | 132 Ų | 132 | 122.1 Ų | 122.1 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -45.7 | 175.5 | -168.5 | 173.3 | -144.9 | 0 | 0 | 111.1 | E340 E342 K347 E348 | E340-E344 PolarHBondContact O-N 2.65Å; E342-E344 VanDerWaalsContact C-N 3.27Å; E342-E344 PolarHBondContact O-N 3.27Å; E344-K347 PolarHBondContact O-N 3.08Å; E344-E348 PolarHBondContact O-N 3.06Å |
| 345 | R | 72.5 | Confident | 71.8 | Confident | 133 Ų | 133 | 121.9 Ų | 121.9 | 50% | 0.502 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -34.1 | 173.7 | -66.3 | 163.4 | -175.1 | 147.3 | -3.6 | 112.8 | R341 E342 E348 R349 | R341-R345 WeakPolarHBondContact O-CD 3.38Å; R341-R345 VanDerWaalsContact O-CG 3.27Å; R341-R345 WeakPolarHBondContact O-CG 3.19Å; R341-R345 PolarHBondContact O-N 2.67Å; E342-R345 PolarHBondContact O-N 2.66Å; R345-E348 WeakPolarHBondContact O-CB 3.37Å; R345-E348 PolarHBondContact O-N 3.18Å; R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 2.74Å; R345-R349 VanDerWaalsContact O-N 3.08Å |
| 346 | E | 71.8 | Confident | 71.8 | Confident | 119 Ų | 119 | 121.8 Ų | 121.8 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -47.1 | 174.4 | -172.3 | 172 | -138.5 | 0 | 0 | 110.8 | E342 R343 E348 R349 E350 | E342-E346 PolarHBondContact O-N 3.07Å; R343-E346 PolarHBondContact O-N 3.16Å; E346-E348 PolarHBondContact O-N 2.58Å; E346-R349 PolarHBondContact O-N 3.03Å; E346-E350 WeakPolarHBondContact O-CB 3.41Å; E346-E350 PolarHBondContact O-N 2.98Å |
| 347 | K | 75.4 | Confident | 72.2 | Confident | 120 Ų | 120 | 121.8 Ų | 121.8 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -23.1 | 172.5 | -74.1 | -177.4 | 174.7 | -176.1 | 0 | 113.8 | R343 E344 R351 | R343-K347 WeakPolarHBondContact O-CB 3.47Å; R343-K347 WeakPolarHBondContact O-CG 3.2Å; R343-K347 PolarHBondContact O-N 2.82Å; E344-K347 PolarHBondContact O-N 3.08Å; K347-R351 VanDerWaalsContact C-NH1 3.29Å; K347-R351 WeakPolarHBondContact O-CG 3.39Å; K347-R351 PolarHBondContact O-N 3.06Å; K347-R351 PolarHBondContact O-NH1 2.69Å |
| 348 | E | 71.4 | Confident | 72.3 | Confident | 129 Ų | 129 | 123.8 Ų | 123.8 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.7 | -48.9 | 172.2 | -170.7 | 167.6 | -141.4 | 0 | 0 | 110.7 | E344 R345 E346 E350 R351 E352 | E344-E348 PolarHBondContact O-N 3.06Å; R345-E348 WeakPolarHBondContact O-CB 3.37Å; R345-E348 PolarHBondContact O-N 3.18Å; E346-E348 PolarHBondContact O-N 2.58Å; E348-E350 PolarHBondContact O-N 2.72Å; E348-R351 PolarHBondContact O-N 3.36Å; E348-E352 PolarHBondContact O-N 3.33Å; E348-E352 VanDerWaalsContact O-N 3.09Å |
| 349 | R | 74.9 | Confident | 72.5 | Confident | 159 Ų | 159 | 124.3 Ų | 124.3 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | 174.2 | -63.4 | 170.6 | -163.2 | 149.3 | 1.8 | 112.8 | R345 E346 E352 A353 | R345-R349 WeakPolarHBondContact O-CG 3.42Å; R345-R349 PolarHBondContact O-N 2.74Å; R345-R349 VanDerWaalsContact O-N 3.08Å; E346-R349 PolarHBondContact O-N 3.03Å; R349-E352 PolarHBondContact O-N 3.17Å; R349-E352 VanDerWaalsContact O-N 3.15Å; R349-A353 WeakPolarHBondContact O-CB 3.44Å; R349-A353 PolarHBondContact O-N 3.45Å |
| 350 | E | 75.3 | Confident | 72.5 | Confident | 132 Ų | 132 | 124.5 Ų | 124.5 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 178.1 | -173.7 | 175.1 | -144.3 | 0 | 0 | 111.4 | E346 E348 E352 A353 E354 | E346-E350 WeakPolarHBondContact O-CB 3.41Å; E346-E350 PolarHBondContact O-N 2.98Å; E348-E350 PolarHBondContact O-N 2.72Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 3Å; E350-A353 PolarHBondContact O-N 2.82Å; E350-E354 PolarHBondContact O-N 2.94Å |
| 351 | R | 70.8 | Confident | 72.6 | Confident | 132 Ų | 132 | 123.6 Ų | 123.6 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.7 | -26.2 | 174.2 | -66.2 | 179.9 | -162.2 | 105.3 | -20.1 | 113.3 | K347 E348 R355 | K347-R351 VanDerWaalsContact C-NH1 3.29Å; K347-R351 WeakPolarHBondContact O-CG 3.39Å; K347-R351 PolarHBondContact O-N 3.06Å; K347-R351 PolarHBondContact O-NH1 2.69Å; E348-R351 PolarHBondContact O-N 3.36Å; R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.34Å; R351-R355 PolarHBondContact O-NE 3.45Å |
| 352 | E | 72.8 | Confident | 72.7 | Confident | 120 Ų | 120 | 123.9 Ų | 123.9 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.2 | -45.5 | 174.3 | -172.9 | 163 | -133.8 | 0 | 0 | 111.7 | E348 R349 E350 E354 R355 E356 | E348-E352 PolarHBondContact O-N 3.33Å; E348-E352 VanDerWaalsContact O-N 3.09Å; R349-E352 PolarHBondContact O-N 3.17Å; R349-E352 VanDerWaalsContact O-N 3.15Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 3Å; E352-E354 VanDerWaalsContact C-N 3.28Å; E352-E354 PolarHBondContact O-N 2.99Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-E356 PolarHBondContact O-N 3.36Å |
| 353 | A | 77.2 | Confident | 72.8 | Confident | 55 Ų | 55 | 124 Ų | 124 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R349 E350 E356 K357 | R349-A353 WeakPolarHBondContact O-CB 3.44Å; R349-A353 PolarHBondContact O-N 3.45Å; E350-A353 PolarHBondContact O-N 2.82Å; A353-E356 PolarHBondContact O-N 2.9Å; A353-K357 VanDerWaalsContact O-CB 3.27Å; A353-K357 WeakPolarHBondContact O-CB 3.34Å; A353-K357 PolarHBondContact O-N 2.59Å |
| 354 | E | 75.5 | Confident | 72.8 | Confident | 138 Ų | 138 | 122.9 Ų | 122.9 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 173.3 | -174.6 | 165.7 | -135.4 | 0 | 0 | 112 | E350 E352 E356 K357 E358 | E350-E354 PolarHBondContact O-N 2.94Å; E352-E354 VanDerWaalsContact C-N 3.28Å; E352-E354 PolarHBondContact O-N 2.99Å; E354-E356 VanDerWaalsContact C-N 3.33Å; E354-E356 PolarHBondContact O-N 3.14Å; E354-K357 CarbonylContact O-C 3.59Å; E354-K357 PolarHBondContact O-N 3.11Å; E354-E358 PolarHBondContact O-N 3.13Å |
| 355 | R | 71.8 | Confident | 72.6 | Confident | 118 Ų | 118 | 122.6 Ų | 122.6 | 45% | 0.445 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 174.3 | -67.3 | 178.7 | -137.5 | 116.1 | -3.3 | 112.8 | R351 E352 R359 | R351-R355 WeakPolarHBondContact O-CG 3.42Å; R351-R355 PolarHBondContact O-N 3.34Å; R351-R355 PolarHBondContact O-NE 3.45Å; E352-R355 PolarHBondContact O-N 3.25Å; R355-R359 WeakPolarHBondContact O-CD 3.44Å; R355-R359 WeakPolarHBondContact O-CG 3.43Å; R355-R359 PolarHBondContact O-N 2.9Å |
| 356 | E | 71.8 | Confident | 72.5 | Confident | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -45.8 | 172.8 | -176.3 | 167.5 | -135.2 | 0 | 0 | 111.3 | E352 A353 E354 E358 R359 E360 | E352-E356 PolarHBondContact O-N 3.36Å; A353-E356 PolarHBondContact O-N 2.9Å; E354-E356 VanDerWaalsContact C-N 3.33Å; E354-E356 PolarHBondContact O-N 3.14Å; E356-E358 PolarHBondContact O-N 2.81Å; E356-R359 PolarHBondContact O-N 3.02Å; E356-E360 PolarHBondContact O-N 3.36Å |
| 357 | K | 76.1 | Confident | 72.5 | Confident | 116 Ų | 116 | 123 Ų | 123 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -18.7 | 177.6 | -159 | 173.8 | -172.1 | 168.9 | 0 | 113.3 | A353 E354 R361 | A353-K357 VanDerWaalsContact O-CB 3.27Å; A353-K357 WeakPolarHBondContact O-CB 3.34Å; A353-K357 PolarHBondContact O-N 2.59Å; E354-K357 CarbonylContact O-C 3.59Å; E354-K357 PolarHBondContact O-N 3.11Å; K357-R361 VanDerWaalsContact C-NH1 3.32Å; K357-R361 VanDerWaalsContact O-CG 3.29Å; K357-R361 WeakPolarHBondContact O-CG 3.33Å; K357-R361 PolarHBondContact O-N 2.73Å; K357-R361 PolarHBondContact O-NH1 3.07Å |
| 358 | E | 70.3 | Confident | 72.4 | Confident | 125 Ų | 125 | 123.5 Ų | 123.5 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.8 | -51.4 | 167.1 | -177.6 | 166.6 | -133.4 | 0 | 0 | 111.1 | E354 E356 E360 R361 E362 | E354-E358 PolarHBondContact O-N 3.13Å; E356-E358 PolarHBondContact O-N 2.81Å; E358-E360 VanDerWaalsContact C-N 3.25Å; E358-E360 PolarHBondContact O-N 2.83Å; E358-R361 PolarHBondContact O-N 3.21Å; E358-R361 VanDerWaalsContact O-N 3.14Å; E358-E362 PolarHBondContact O-N 2.78Å |
| 359 | R | 72.4 | Confident | 72.3 | Confident | 128 Ų | 128 | 125.3 Ų | 125.3 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.4 | -30.9 | 176.4 | -64.7 | 163.1 | -175.5 | 150.9 | -3.3 | 112.9 | R355 E356 R363 | R355-R359 WeakPolarHBondContact O-CD 3.44Å; R355-R359 WeakPolarHBondContact O-CG 3.43Å; R355-R359 PolarHBondContact O-N 2.9Å; E356-R359 PolarHBondContact O-N 3.02Å; R359-R363 WeakPolarHBondContact O-CD 3.46Å; R359-R363 VanDerWaalsContact O-CG 3.31Å; R359-R363 WeakPolarHBondContact O-CG 3.32Å; R359-R363 PolarHBondContact O-N 3.03Å; R359-R363 VanDerWaalsContact O-N 3.13Å |
| 360 | E | 70.9 | Confident | 72.2 | Confident | 120 Ų | 120 | 124.2 Ų | 124.2 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -48.7 | 172.9 | -173.4 | 174.2 | -137.9 | 0 | 0 | 111.7 | E356 E358 E362 R363 E364 | E356-E360 PolarHBondContact O-N 3.36Å; E358-E360 VanDerWaalsContact C-N 3.25Å; E358-E360 PolarHBondContact O-N 2.83Å; E360-E362 VanDerWaalsContact C-N 3.25Å; E360-E362 PolarHBondContact O-N 2.92Å; E360-R363 PolarHBondContact O-N 3.32Å; E360-E364 PolarHBondContact O-N 3.34Å |
| 361 | R | 70.4 | Confident | 72.3 | Confident | 108 Ų | 108 | 123.2 Ų | 123.2 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 175.4 | -66.7 | 174.8 | -167.9 | 115.1 | -24.4 | 112.7 | K357 E358 R365 | K357-R361 VanDerWaalsContact C-NH1 3.32Å; K357-R361 VanDerWaalsContact O-CG 3.29Å; K357-R361 WeakPolarHBondContact O-CG 3.33Å; K357-R361 PolarHBondContact O-N 2.73Å; K357-R361 PolarHBondContact O-NH1 3.07Å; E358-R361 PolarHBondContact O-N 3.21Å; E358-R361 VanDerWaalsContact O-N 3.14Å; R361-R365 WeakPolarHBondContact O-CD 3.27Å; R361-R365 VanDerWaalsContact O-CG 3.24Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.96Å; R361-R365 VanDerWaalsContact O-N 3.13Å |
| 362 | E | 70.4 | Confident | 72.3 | Confident | 124 Ų | 124 | 122.9 Ų | 122.9 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -51.1 | 172.6 | -175.5 | 167.8 | -132.2 | 0 | 0 | 111.5 | E358 E360 E364 R365 E366 | E358-E362 PolarHBondContact O-N 2.78Å; E360-E362 VanDerWaalsContact C-N 3.25Å; E360-E362 PolarHBondContact O-N 2.92Å; E362-E364 PolarHBondContact O-N 2.96Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.17Å; E362-E366 PolarHBondContact O-N 3.33Å |
| 363 | R | 72.1 | Confident | 72.6 | Confident | 127 Ų | 127 | 121 Ų | 121 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -27.3 | 174.5 | -65.8 | 165 | -173.5 | 146.2 | -2.6 | 113.1 | R359 E360 R367 | R359-R363 WeakPolarHBondContact O-CD 3.46Å; R359-R363 VanDerWaalsContact O-CG 3.31Å; R359-R363 WeakPolarHBondContact O-CG 3.32Å; R359-R363 PolarHBondContact O-N 3.03Å; R359-R363 VanDerWaalsContact O-N 3.13Å; E360-R363 PolarHBondContact O-N 3.32Å; R363-R367 VanDerWaalsContact O-CG 3.27Å; R363-R367 WeakPolarHBondContact O-CG 2.92Å; R363-R367 PolarHBondContact O-N 3.01Å |
| 364 | E | 73.3 | Confident | 72.6 | Confident | 117 Ų | 117 | 124.6 Ų | 124.6 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -48.8 | 172.3 | -172.3 | 169.1 | -136.9 | 0 | 0 | 111.5 | E360 E362 E366 R367 E368 | E360-E364 PolarHBondContact O-N 3.34Å; E362-E364 PolarHBondContact O-N 2.96Å; E364-E366 VanDerWaalsContact C-N 3.29Å; E364-E366 PolarHBondContact O-N 3.01Å; E364-R367 PolarHBondContact O-N 3.29Å; E364-E368 PolarHBondContact O-N 3.11Å |
| 365 | R | 67.9 | Low | 72.5 | Confident | 127 Ų | 127 | 123.9 Ų | 123.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 175.3 | -65.6 | 164.1 | -165.5 | 139.5 | -3.8 | 112.7 | R361 E362 E368 R369 | R361-R365 WeakPolarHBondContact O-CD 3.27Å; R361-R365 VanDerWaalsContact O-CG 3.24Å; R361-R365 WeakPolarHBondContact O-CG 3.33Å; R361-R365 PolarHBondContact O-N 2.96Å; R361-R365 VanDerWaalsContact O-N 3.13Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.17Å; R365-E368 PolarHBondContact O-N 3.1Å; R365-R369 WeakPolarHBondContact O-CG 3.37Å; R365-R369 PolarHBondContact O-N 3.35Å |
| 366 | E | 70.9 | Confident | 72.6 | Confident | 128 Ų | 128 | 123.7 Ų | 123.7 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.3 | -48.3 | 173.4 | -173.8 | 173.5 | -139.7 | 0 | 0 | 111.2 | E362 E364 E368 R369 E370 | E362-E366 PolarHBondContact O-N 3.33Å; E364-E366 VanDerWaalsContact C-N 3.29Å; E364-E366 PolarHBondContact O-N 3.01Å; E366-E368 VanDerWaalsContact C-N 3.29Å; E366-E368 PolarHBondContact O-N 3.16Å; E366-R369 PolarHBondContact O-N 3.23Å; E366-E370 PolarHBondContact O-N 2.84Å |
| 367 | R | 72.1 | Confident | 72.8 | Confident | 132 Ų | 132 | 123.5 Ų | 123.5 | 50% | 0.498 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -27.4 | 174.9 | -65.3 | 168.4 | -163.9 | 135 | -3.1 | 113.4 | R363 E364 K371 | R363-R367 VanDerWaalsContact O-CG 3.27Å; R363-R367 WeakPolarHBondContact O-CG 2.92Å; R363-R367 PolarHBondContact O-N 3.01Å; E364-R367 PolarHBondContact O-N 3.29Å; R367-K371 WeakPolarHBondContact O-CD 3.25Å; R367-K371 VanDerWaalsContact O-CG 3.22Å; R367-K371 WeakPolarHBondContact O-CG 2.88Å; R367-K371 PolarHBondContact O-N 3.23Å |
| 368 | E | 72.4 | Confident | 72.7 | Confident | 130 Ų | 130 | 124 Ų | 124 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.7 | -45.9 | 170.7 | -73.6 | -159 | 117 | 0 | 0 | 111.9 | E364 R365 E366 E370 K371 E372 | E364-E368 PolarHBondContact O-N 3.11Å; R365-E368 PolarHBondContact O-N 3.1Å; E366-E368 VanDerWaalsContact C-N 3.29Å; E366-E368 PolarHBondContact O-N 3.16Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.79Å; E368-K371 PolarHBondContact O-N 2.73Å; E368-E372 WeakPolarHBondContact O-CB 2.98Å; E368-E372 PolarHBondContact O-N 3.13Å |
| 369 | R | 70 | Confident | 72.8 | Confident | 167 Ų | 167 | 123.7 Ų | 123.7 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 175.7 | -70.3 | 169.6 | -176.8 | 172.7 | 1.7 | 112.1 | R365 E366 E372 L373 | R365-R369 WeakPolarHBondContact O-CG 3.37Å; R365-R369 PolarHBondContact O-N 3.35Å; E366-R369 PolarHBondContact O-N 3.23Å; R369-E372 PolarHBondContact O-N 3.04Å; R369-L373 PolarHBondContact O-N 3.04Å |
| 370 | E | 72.2 | Confident | 73 | Confident | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -46.2 | 176.3 | -172.8 | 174.9 | -142.5 | 0 | 0 | 111.4 | E366 E368 E372 L373 E374 | E366-E370 PolarHBondContact O-N 2.84Å; E368-E370 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 2.79Å; E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 3.01Å; E370-L373 PolarHBondContact O-N 2.69Å; E370-E374 PolarHBondContact O-N 2.98Å |
| 371 | K | 77.1 | Confident | 73.3 | Confident | 110 Ų | 110 | 123.1 Ų | 123.1 | 48% | 0.478 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -27.8 | 173.6 | -69.7 | 168.1 | -173.1 | 172.7 | 0 | 113 | R367 E368 R375 | R367-K371 WeakPolarHBondContact O-CD 3.25Å; R367-K371 VanDerWaalsContact O-CG 3.22Å; R367-K371 WeakPolarHBondContact O-CG 2.88Å; R367-K371 PolarHBondContact O-N 3.23Å; E368-K371 PolarHBondContact O-N 2.73Å; K371-R375 VanDerWaalsContact O-CG 3.31Å; K371-R375 WeakPolarHBondContact O-CG 3.19Å; K371-R375 PolarHBondContact O-N 3.13Å; K371-R375 PolarHBondContact O-NH1 2.94Å |
| 372 | E | 71.8 | Confident | 73.5 | Confident | 125 Ų | 125 | 123.6 Ų | 123.6 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.4 | -47.3 | 173.9 | -171.8 | 158 | -133.7 | 0 | 0 | 111.2 | E368 R369 E370 E374 R375 E376 | E368-E372 WeakPolarHBondContact O-CB 2.98Å; E368-E372 PolarHBondContact O-N 3.13Å; R369-E372 PolarHBondContact O-N 3.04Å; E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 3.01Å; E372-E374 VanDerWaalsContact C-N 3.29Å; E372-E374 PolarHBondContact O-N 2.85Å; E372-R375 PolarHBondContact O-N 3.4Å; E372-E376 PolarHBondContact O-N 3.02Å |
| 373 | L | 79.2 | Confident | 73.8 | Confident | 81 Ų | 81 | 123.9 Ų | 123.9 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 171.8 | -104.6 | 79.3 | 0 | 0 | 0 | 112.7 | R369 E370 E376 R377 | R369-L373 PolarHBondContact O-N 3.04Å; E370-L373 PolarHBondContact O-N 2.69Å; L373-E376 PolarHBondContact O-N 3.36Å; L373-R377 WeakPolarHBondContact O-CB 3.46Å; L373-R377 VanDerWaalsContact O-CG 3.31Å; L373-R377 WeakPolarHBondContact O-CG 3.29Å; L373-R377 PolarHBondContact O-N 2.64Å |
| 374 | E | 76.3 | Confident | 74 | Confident | 130 Ų | 130 | 123.7 Ų | 123.7 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -49.1 | 175.6 | -175 | 171.4 | -133.3 | 0 | 0 | 111.4 | E370 E372 E376 R377 E378 | E370-E374 PolarHBondContact O-N 2.98Å; E372-E374 VanDerWaalsContact C-N 3.29Å; E372-E374 PolarHBondContact O-N 2.85Å; E374-E376 VanDerWaalsContact C-N 3.28Å; E374-E376 PolarHBondContact O-N 3.38Å; E374-R377 PolarHBondContact O-N 3.47Å; E374-E378 PolarHBondContact O-N 2.64Å |
| 375 | R | 72.4 | Confident | 74.2 | Confident | 123 Ų | 123 | 123.9 Ų | 123.9 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 175.1 | -66.2 | -177.5 | -145.6 | 100.8 | -20.6 | 112.8 | K371 E372 R379 | K371-R375 VanDerWaalsContact O-CG 3.31Å; K371-R375 WeakPolarHBondContact O-CG 3.19Å; K371-R375 PolarHBondContact O-N 3.13Å; K371-R375 PolarHBondContact O-NH1 2.94Å; E372-R375 PolarHBondContact O-N 3.4Å; R375-R379 VanDerWaalsContact C-NH1 3.33Å; R375-R379 WeakPolarHBondContact O-CG 3.01Å; R375-R379 PolarHBondContact O-N 2.7Å; R375-R379 VanDerWaalsContact O-N 3.15Å; R375-R379 PolarHBondContact O-NH1 2.72Å |
| 376 | E | 74.5 | Confident | 74.6 | Confident | 114 Ų | 114 | 123.7 Ų | 123.7 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -49.3 | 172.7 | -175.4 | 164.1 | -134.1 | 0 | 0 | 111.3 | E372 L373 E374 E378 R379 E380 | E372-E376 PolarHBondContact O-N 3.02Å; L373-E376 PolarHBondContact O-N 3.36Å; E374-E376 VanDerWaalsContact C-N 3.28Å; E374-E376 PolarHBondContact O-N 3.38Å; E376-E378 PolarHBondContact O-N 2.8Å; E376-R379 CarbonylContact O-C 3.59Å; E376-R379 PolarHBondContact O-N 3.11Å; E376-R379 VanDerWaalsContact O-N 3.13Å; E376-E380 PolarHBondContact O-N 3.2Å |
| 377 | R | 75.8 | Confident | 74.9 | Confident | 125 Ų | 125 | 124.1 Ų | 124.1 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -29.8 | 173.7 | -70.6 | 169.8 | 179.1 | 145 | -3.4 | 112.7 | L373 E374 R381 | L373-R377 WeakPolarHBondContact O-CB 3.46Å; L373-R377 VanDerWaalsContact O-CG 3.31Å; L373-R377 WeakPolarHBondContact O-CG 3.29Å; L373-R377 PolarHBondContact O-N 2.64Å; E374-R377 PolarHBondContact O-N 3.47Å; R377-R381 WeakPolarHBondContact O-CD 3.23Å; R377-R381 WeakPolarHBondContact O-CG 3.25Å; R377-R381 PolarHBondContact O-N 3.39Å; R377-R381 VanDerWaalsContact O-N 3.1Å |
| 378 | E | 74.6 | Confident | 75.3 | Confident | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.1 | -49 | 172.1 | -173.3 | 168.5 | -136.3 | 0 | 0 | 111.8 | E374 E376 E380 R381 E382 | E374-E378 PolarHBondContact O-N 2.64Å; E376-E378 PolarHBondContact O-N 2.8Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.16Å; E378-R381 PolarHBondContact O-N 2.99Å; E378-E382 PolarHBondContact O-N 3.34Å |
| 379 | R | 73 | Confident | 75.7 | Confident | 119 Ų | 119 | 125.1 Ų | 125.1 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -30.9 | 174.8 | -67 | -179.6 | -153.6 | 104.9 | -18.3 | 112.9 | R375 E376 E382 R383 | R375-R379 VanDerWaalsContact C-NH1 3.33Å; R375-R379 WeakPolarHBondContact O-CG 3.01Å; R375-R379 PolarHBondContact O-N 2.7Å; R375-R379 VanDerWaalsContact O-N 3.15Å; R375-R379 PolarHBondContact O-NH1 2.72Å; E376-R379 CarbonylContact O-C 3.59Å; E376-R379 PolarHBondContact O-N 3.11Å; E376-R379 VanDerWaalsContact O-N 3.13Å; R379-E382 PolarHBondContact O-N 3.39Å; R379-R383 VanDerWaalsContact O-CG 3.31Å; R379-R383 WeakPolarHBondContact O-CG 3.16Å; R379-R383 PolarHBondContact O-N 3.44Å |
| 380 | E | 75.3 | Confident | 76.3 | Confident | 114 Ų | 114 | 123.6 Ų | 123.6 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 173.1 | -176 | 173.2 | -138.6 | 0 | 0 | 111.1 | E376 E378 E382 R383 E384 | E376-E380 PolarHBondContact O-N 3.2Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.16Å; E380-E382 PolarHBondContact O-N 3.33Å; E380-R383 CarbonylContact O-C 3.58Å; E380-R383 PolarHBondContact O-N 3.1Å; E380-E384 WeakPolarHBondContact O-CB 3.44Å; E380-E384 PolarHBondContact O-N 3.41Å |
| 381 | R | 77.6 | Confident | 76.8 | Confident | 121 Ų | 121 | 123.1 Ų | 123.1 | 46% | 0.457 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -25.4 | 173.2 | -66.5 | 166.9 | -168.6 | 136.1 | -6.3 | 112.7 | R377 E378 R385 | R377-R381 WeakPolarHBondContact O-CD 3.23Å; R377-R381 WeakPolarHBondContact O-CG 3.25Å; R377-R381 PolarHBondContact O-N 3.39Å; R377-R381 VanDerWaalsContact O-N 3.1Å; E378-R381 PolarHBondContact O-N 2.99Å; R381-R385 WeakPolarHBondContact O-CD 2.69Å; R381-R385 WeakPolarHBondContact O-CG 3.46Å; R381-R385 PolarHBondContact O-N 2.65Å; R381-R385 VanDerWaalsContact O-N 3.13Å; R381-R385 PolarHBondContact O-NH1 3.39Å |
| 382 | E | 75.7 | Confident | 76.8 | Confident | 118 Ų | 118 | 124.3 Ų | 124.3 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -49.3 | 170.7 | -172.4 | 167.5 | -134.1 | 0 | 0 | 111.3 | E378 R379 E380 E384 R385 E386 | E378-E382 PolarHBondContact O-N 3.34Å; R379-E382 PolarHBondContact O-N 3.39Å; E380-E382 PolarHBondContact O-N 3.33Å; E382-E384 VanDerWaalsContact C-N 3.25Å; E382-E384 PolarHBondContact O-N 2.82Å; E382-R385 CarbonylContact O-C 3.59Å; E382-R385 PolarHBondContact O-N 3.47Å; E382-E386 WeakPolarHBondContact O-CB 3.29Å; E382-E386 PolarHBondContact O-N 2.88Å |
| 383 | R | 75 | Confident | 77.3 | Confident | 131 Ų | 131 | 121 Ų | 121 | 49% | 0.494 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -25.7 | 174 | -67.5 | 167.5 | -174.3 | 147.4 | -2.9 | 113.6 | R379 E380 R387 | R379-R383 VanDerWaalsContact O-CG 3.31Å; R379-R383 WeakPolarHBondContact O-CG 3.16Å; R379-R383 PolarHBondContact O-N 3.44Å; E380-R383 CarbonylContact O-C 3.58Å; E380-R383 PolarHBondContact O-N 3.1Å; R383-R387 WeakPolarHBondContact O-CB 3.5Å; R383-R387 WeakPolarHBondContact O-CG 3.32Å; R383-R387 PolarHBondContact O-N 2.81Å; R383-R387 VanDerWaalsContact O-N 3.13Å; R383-R387 PolarHBondContact O-NE 2.93Å |
| 384 | E | 76.8 | Confident | 77.3 | Confident | 122 Ų | 122 | 120.4 Ų | 120.4 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.1 | -50.6 | 171 | -173.8 | 175.9 | -141.7 | 0 | 0 | 110.6 | E380 E382 E386 R387 E388 | E380-E384 WeakPolarHBondContact O-CB 3.44Å; E380-E384 PolarHBondContact O-N 3.41Å; E382-E384 VanDerWaalsContact C-N 3.25Å; E382-E384 PolarHBondContact O-N 2.82Å; E384-E386 VanDerWaalsContact C-N 3.27Å; E384-E386 PolarHBondContact O-N 3.41Å; E384-R387 PolarHBondContact O-N 2.93Å; E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.3Å |
| 385 | R | 77.4 | Confident | 77.7 | Confident | 122 Ų | 122 | 121.2 Ų | 121.2 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -30.4 | 174.5 | -67.7 | 171.2 | -160.1 | 122.1 | -11 | 112.9 | R381 E382 R389 | R381-R385 WeakPolarHBondContact O-CD 2.69Å; R381-R385 WeakPolarHBondContact O-CG 3.46Å; R381-R385 PolarHBondContact O-N 2.65Å; R381-R385 VanDerWaalsContact O-N 3.13Å; R381-R385 PolarHBondContact O-NH1 3.39Å; E382-R385 CarbonylContact O-C 3.59Å; E382-R385 PolarHBondContact O-N 3.47Å; R385-R389 WeakPolarHBondContact O-CB 3.48Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 WeakPolarHBondContact O-CG 3.46Å; R385-R389 PolarHBondContact O-N 3.05Å |
| 386 | E | 76.9 | Confident | 78 | Confident | 122 Ų | 122 | 118.2 Ų | 118.2 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -48.8 | 172.7 | -174.3 | 169.6 | -130.9 | 0 | 0 | 111.1 | E382 E384 E388 R389 E390 | E382-E386 WeakPolarHBondContact O-CB 3.29Å; E382-E386 PolarHBondContact O-N 2.88Å; E384-E386 VanDerWaalsContact C-N 3.27Å; E384-E386 PolarHBondContact O-N 3.41Å; E386-E388 VanDerWaalsContact C-N 3.32Å; E386-E388 PolarHBondContact O-N 2.95Å; E386-R389 WeakPolarHBondContact O-CB 3.33Å; E386-R389 PolarHBondContact O-N 3.01Å; E386-E390 WeakPolarHBondContact O-CB 3.32Å; E386-E390 PolarHBondContact O-N 3.42Å |
| 387 | R | 77.8 | Confident | 78.1 | Confident | 137 Ų | 137 | 119.4 Ų | 119.4 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 174.1 | -74 | 176 | -71.2 | 176.9 | 2 | 112.8 | R383 E384 E390 L391 | R383-R387 WeakPolarHBondContact O-CB 3.5Å; R383-R387 WeakPolarHBondContact O-CG 3.32Å; R383-R387 PolarHBondContact O-N 2.81Å; R383-R387 VanDerWaalsContact O-N 3.13Å; R383-R387 PolarHBondContact O-NE 2.93Å; E384-R387 PolarHBondContact O-N 2.93Å; R387-E390 PolarHBondContact O-N 3.44Å; R387-L391 WeakPolarHBondContact O-CB 3.5Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.26Å; R387-L391 PolarHBondContact O-N 3.34Å |
| 388 | E | 79.4 | Confident | 78.2 | Confident | 124 Ų | 124 | 119.2 Ų | 119.2 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.5 | -43.8 | 171.1 | -172.6 | -178.1 | -154.7 | 0 | 0 | 111.4 | E384 E386 L391 Q392 | E384-E388 WeakPolarHBondContact O-CB 3.37Å; E384-E388 PolarHBondContact O-N 3.3Å; E386-E388 VanDerWaalsContact C-N 3.32Å; E386-E388 PolarHBondContact O-N 2.95Å; E388-L391 PolarHBondContact O-N 3.14Å; E388-Q392 WeakPolarHBondContact O-CB 3.39Å; E388-Q392 PolarHBondContact O-N 2.92Å |
| 389 | R | 81.7 | Confident | 78 | Confident | 160 Ų | 160 | 118.6 Ų | 118.6 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -39.6 | 173.6 | -71.8 | 161.4 | -173.7 | 159 | 0.3 | 112 | R385 E386 Q392 A393 | R385-R389 WeakPolarHBondContact O-CB 3.48Å; R385-R389 WeakPolarHBondContact O-CD 3.48Å; R385-R389 WeakPolarHBondContact O-CG 3.46Å; R385-R389 PolarHBondContact O-N 3.05Å; E386-R389 WeakPolarHBondContact O-CB 3.33Å; E386-R389 PolarHBondContact O-N 3.01Å; R389-Q392 PolarHBondContact O-N 3.43Å; R389-A393 VanDerWaalsContact O-CB 3.25Å; R389-A393 WeakPolarHBondContact O-CB 3.33Å; R389-A393 PolarHBondContact O-N 2.8Å |
| 390 | E | 81.3 | Confident | 78 | Confident | 135 Ų | 135 | 118.9 Ų | 118.9 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -46.4 | 176 | -173.9 | 179.2 | -155.9 | 0 | 0 | 111.2 | E386 R387 Q392 A393 S394 | E386-E390 WeakPolarHBondContact O-CB 3.32Å; E386-E390 PolarHBondContact O-N 3.42Å; R387-E390 PolarHBondContact O-N 3.44Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.43Å; E390-A393 PolarHBondContact O-N 3.08Å; E390-S394 VanDerWaalsContact O-CB 3.22Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 2.95Å |
| 391 | L | 83.4 | Confident | 77.8 | Confident | 126 Ų | 126 | 120.5 Ų | 120.5 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -38.5 | 173.2 | -74.1 | 168.8 | 0 | 0 | 0 | 112.1 | R387 E388 K395 | R387-L391 WeakPolarHBondContact O-CB 3.5Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.26Å; R387-L391 PolarHBondContact O-N 3.34Å; E388-L391 PolarHBondContact O-N 3.14Å; L391-K395 WeakPolarHBondContact O-CB 3.37Å; L391-K395 PolarHBondContact O-N 3.45Å |
| 392 | Q | 77.4 | Confident | 77.5 | Confident | 136 Ų | 136 | 118.5 Ų | 118.5 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.6 | -37.3 | 177.5 | -169.9 | 173.6 | 95.5 | 0 | 0 | 112.1 | E388 R389 E390 A396 | E388-Q392 WeakPolarHBondContact O-CB 3.39Å; E388-Q392 PolarHBondContact O-N 2.92Å; R389-Q392 PolarHBondContact O-N 3.43Å; E390-Q392 VanDerWaalsContact C-N 3.32Å; E390-Q392 PolarHBondContact O-N 3.43Å; Q392-A396 WeakPolarHBondContact O-CB 3.32Å; Q392-A396 PolarHBondContact O-N 2.97Å |
| 393 | A | 80.9 | Confident | 77 | Confident | 56 Ų | 56 | 115.1 Ų | 115.1 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R389 E390 A396 M397 | R389-A393 VanDerWaalsContact O-CB 3.25Å; R389-A393 WeakPolarHBondContact O-CB 3.33Å; R389-A393 PolarHBondContact O-N 2.8Å; E390-A393 PolarHBondContact O-N 3.08Å; A393-A396 WeakPolarHBondContact O-CB 3.34Å; A393-A396 PolarHBondContact O-N 3.49Å; A393-M397 PolarHBondContact O-N 3.44Å |
| 394 | S | 80.3 | Confident | 76.7 | Confident | 68 Ų | 68 | 114.5 Ų | 114.5 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.4 | -48.9 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | E390 A396 M397 E398 | E390-S394 VanDerWaalsContact O-CB 3.22Å; E390-S394 WeakPolarHBondContact O-CB 3.47Å; E390-S394 PolarHBondContact O-N 2.95Å; S394-A396 VanDerWaalsContact C-N 3.29Å; S394-A396 PolarHBondContact O-N 3.07Å; S394-M397 PolarHBondContact O-N 3.26Å; S394-M397 VanDerWaalsContact O-N 3.13Å; S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 PolarHBondContact O-N 2.99Å |
| 395 | K | 84.3 | Confident | 76 | Confident | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -29.8 | 174.5 | -172.8 | 169.5 | 179 | 172.1 | 0 | 113.3 | L391 N399 | L391-K395 WeakPolarHBondContact O-CB 3.37Å; L391-K395 PolarHBondContact O-N 3.45Å; K395-N399 VanDerWaalsContact O-CB 3.27Å; K395-N399 WeakPolarHBondContact O-CB 3.42Å; K395-N399 PolarHBondContact O-N 3.39Å |
| 396 | A | 79.8 | Confident | 75.1 | Confident | 60 Ų | 60 | 113.8 Ų | 113.8 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.5 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q392 A393 S394 N399 H400 | Q392-A396 WeakPolarHBondContact O-CB 3.32Å; Q392-A396 PolarHBondContact O-N 2.97Å; A393-A396 WeakPolarHBondContact O-CB 3.34Å; A393-A396 PolarHBondContact O-N 3.49Å; S394-A396 VanDerWaalsContact C-N 3.29Å; S394-A396 PolarHBondContact O-N 3.07Å; A396-N399 PolarHBondContact O-N 3.46Å; A396-H400 WeakPolarHBondContact O-CB 3.18Å; A396-H400 PolarHBondContact O-N 3.25Å |
| 397 | M | 76.9 | Confident | 74.1 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 69% | 0.685 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -39.5 | 171.9 | -69.1 | -156.5 | -61.4 | 0 | 0 | 112.3 | A393 S394 N399 H400 Y401 | A393-M397 PolarHBondContact O-N 3.44Å; S394-M397 PolarHBondContact O-N 3.26Å; S394-M397 VanDerWaalsContact O-N 3.13Å; M397-N399 VanDerWaalsContact C-N 3.35Å; M397-N399 PolarHBondContact O-N 3.2Å; M397-H400 PolarHBondContact O-N 2.97Å; M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 2.78Å |
| 398 | E | 76.5 | Confident | 73 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.1 | -43 | 173.2 | -175 | -177.1 | -151.9 | 0 | 0 | 111.3 | S394 Y401 L402 | S394-E398 WeakPolarHBondContact O-CB 3.46Å; S394-E398 PolarHBondContact O-N 2.99Å; E398-Y401 PolarHBondContact O-N 3.36Å; E398-L402 HydrophobicContact CG-CD1 4.43Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.89Å |
| 399 | N | 71.6 | Confident | 71.6 | Confident | 113 Ų | 113 | 118.4 Ų | 118.4 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.8 | -37.4 | 175.8 | -165 | -104.4 | 0 | 0 | 0 | 112.4 | K395 A396 M397 L402 A403 | K395-N399 VanDerWaalsContact O-CB 3.27Å; K395-N399 WeakPolarHBondContact O-CB 3.42Å; K395-N399 PolarHBondContact O-N 3.39Å; A396-N399 PolarHBondContact O-N 3.46Å; M397-N399 VanDerWaalsContact C-N 3.35Å; M397-N399 PolarHBondContact O-N 3.2Å; N399-L402 PolarHBondContact O-N 3.02Å; N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.1Å |
| 400 | H | 71.7 | Confident | 69.8 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -43.8 | 172.9 | -177.1 | 1.2 | 0 | 0 | 0 | 111.7 | A396 M397 A403 E404 | A396-H400 WeakPolarHBondContact O-CB 3.18Å; A396-H400 PolarHBondContact O-N 3.25Å; M397-H400 PolarHBondContact O-N 2.97Å; H400-A403 PolarHBondContact O-N 3.25Å; H400-E404 PolarHBondContact O-N 2.86Å |
| 401 | Y | 71.3 | Confident | 67.5 | Low | 149 Ų | 149 | 115.8 Ų | 115.8 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.2 | -42.3 | 176.3 | -178.1 | -110.2 | 0 | 0 | 0 | 111.8 | M397 E398 E404 L405 | M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 2.78Å; E398-Y401 PolarHBondContact O-N 3.36Å; Y401-E404 PolarHBondContact O-N 3.17Å; Y401-L405 HydrophobicContact CD1-CD1 4Å; Y401-L405 HydrophobicContact CE1-CD1 3.66Å; Y401-L405 HydrophobicContact CE1-CG 4.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.49Å; Y401-L405 PolarHBondContact O-N 3.33Å |
| 402 | L | 71 | Confident | 64.9 | Low | 79 Ų | 79 | 117.7 Ų | 117.7 | 41% | 0.414 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.4 | -40.5 | 172.2 | -73.9 | 167.2 | 0 | 0 | 0 | 112.2 | E398 N399 E404 L405 H406 | E398-L402 HydrophobicContact CG-CD1 4.43Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.89Å; N399-L402 PolarHBondContact O-N 3.02Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-E404 PolarHBondContact O-N 3.2Å; L402-L405 PolarHBondContact O-N 3.45Å; L402-H406 PolarHBondContact O-CD2 2.78Å; L402-H406 PolarHBondContact O-N 2.86Å |
| 403 | A | 66.7 | Low | 62.7 | Low | 46 Ų | 46 | 117.6 Ų | 117.6 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.7 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N399 H400 H406 S407 | N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.1Å; H400-A403 PolarHBondContact O-N 3.25Å; A403-H406 PolarHBondContact O-N 3.46Å; A403-S407 WeakPolarHBondContact O-CB 3.49Å; A403-S407 PolarHBondContact O-N 2.74Å; A403-S407 PolarHBondContact O-OG 2.83Å |
| 404 | E | 68.3 | Low | 60.4 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.5 | -42.8 | 174.2 | -169.8 | 163.7 | -150.2 | 0 | 0 | 111.4 | H400 Y401 L402 H406 S407 M408 | H400-E404 PolarHBondContact O-N 2.86Å; Y401-E404 PolarHBondContact O-N 3.17Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-E404 PolarHBondContact O-N 3.2Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 2.98Å; E404-S407 WeakPolarHBondContact O-CB 3.3Å; E404-S407 PolarHBondContact O-N 2.85Å; E404-S407 VanDerWaalsContact O-N 3.12Å; E404-M408 PolarHBondContact O-N 3.25Å; E404-M408 VanDerWaalsContact O-N 3.15Å |
| 405 | L | 62.4 | Low | 58 | Low | 91 Ų | 91 | 126 Ų | 126 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.5 | -38.1 | 171.1 | -72.2 | 172.7 | 0 | 0 | 0 | 112.8 | Y401 L402 M408 | Y401-L405 HydrophobicContact CD1-CD1 4Å; Y401-L405 HydrophobicContact CE1-CD1 3.66Å; Y401-L405 HydrophobicContact CE1-CG 4.47Å; Y401-L405 WeakPolarHBondContact O-CG 3.49Å; Y401-L405 PolarHBondContact O-N 3.33Å; L402-L405 PolarHBondContact O-N 3.45Å; L405-M408 PolarHBondContact O-N 2.8Å |
| 406 | H | 57 | Low | 55.7 | Low | 139 Ų | 139 | 128.2 Ų | 128.2 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -35.2 | 173.1 | -82.9 | -66.7 | 0 | 0 | 0 | 112.5 | L402 A403 E404 M408 R409 | L402-H406 PolarHBondContact O-CD2 2.78Å; L402-H406 PolarHBondContact O-N 2.86Å; A403-H406 PolarHBondContact O-N 3.46Å; E404-H406 VanDerWaalsContact C-N 3.32Å; E404-H406 PolarHBondContact O-N 2.98Å; H406-M408 PolarHBondContact O-N 3.33Å; H406-R409 PolarHBondContact O-N 3.28Å; H406-R409 VanDerWaalsContact O-N 3.15Å |
| 407 | S | 55.9 | Low | 53.9 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.9 | -27.2 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | A403 E404 | A403-S407 WeakPolarHBondContact O-CB 3.49Å; A403-S407 PolarHBondContact O-N 2.74Å; A403-S407 PolarHBondContact O-OG 2.83Å; E404-S407 WeakPolarHBondContact O-CB 3.3Å; E404-S407 PolarHBondContact O-N 2.85Å; E404-S407 VanDerWaalsContact O-N 3.12Å |
| 408 | M | 54.8 | Low | 51.5 | Low | 162 Ų | 162 | 133.3 Ų | 133.3 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -0.8 | 175.5 | -69.1 | -56 | -54.5 | 0 | 0 | 114.8 | E404 L405 H406 | E404-M408 PolarHBondContact O-N 3.25Å; E404-M408 VanDerWaalsContact O-N 3.15Å; L405-M408 PolarHBondContact O-N 2.8Å; H406-M408 PolarHBondContact O-N 3.33Å |
| 409 | R | 50.2 | Low | 49.2 | Very low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -113.9 | 62.8 | 176.9 | -168.9 | -176.6 | -84.1 | -146.7 | -4.4 | 111.2 | H406 | H406-R409 PolarHBondContact O-N 3.28Å; H406-R409 VanDerWaalsContact O-N 3.15Å |
| 410 | G | 43.4 | Very low | 47.4 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | trans | -166.5 | 53.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 411 | Q | 32.8 | Very low | 45.3 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | trans | -137.8 | 144.2 | 166.7 | -152.8 | -173.3 | -82.2 | 0 | 0 | 111.5 | ||||
| 412 | E | 30 | Very low | 44.1 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | trans | 73.5 | 140.2 | 176 | -48.4 | -173.7 | 171 | 0 | 0 | 114.6 | ||||
| 413 | E | 31.8 | Very low | 41.9 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 62% | 0.621 | 72% | 0.716 | S | S | * | * | cis | -150 | 154.9 | 11.6 | -155.4 | -130.5 | 169.6 | 0 | 0 | 113.1 | ||||
| 414 | R | 32.1 | Very low | 39.9 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | 60.5 | 157 | 157.4 | -102.4 | -177.5 | 166.4 | 98.4 | -9.1 | 118.8 | ||||
| 415 | S | 30 | Very low | 38.2 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -143.9 | 158.1 | -9.1 | -54.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 416 | K | 35.8 | Very low | 36.4 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -81.9 | 160.5 | 159.8 | -67.3 | -176.7 | 179 | 178.9 | 0 | 110.7 | ||||
| 417 | P | 40.9 | Very low | 35 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | -128.8 | -167.5 | 97.6 | 39.2 | -32.8 | 0 | 0 | 0 | 113.9 | |||||
| 418 | E | 28.4 | Very low | 33.7 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -136.9 | 141.4 | -157.6 | 169.6 | -167.4 | 152.9 | 0 | 0 | 111.1 | ||||
| 419 | R | 27.4 | Very low | 32.4 | Very low | 217 Ų | 217 | 152.7 Ų | 152.7 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | trans | -174 | 134.8 | 138.2 | -110.3 | -165.9 | 154.2 | 129.5 | -2.7 | 116.9 | ||||
| 420 | L | 34 | Very low | 31.5 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 72.5 | 152.3 | 147.3 | -58.4 | -178.5 | 0 | 0 | 0 | 122.1 | ||||
| 421 | T | 27.8 | Very low | 31.2 | Very low | 128 Ų | 128 | 152 Ų | 152 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -128.6 | -161.9 | -174 | 62.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 422 | P | 44.8 | Very low | 30.9 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | cis | -135 | 178.7 | -19.1 | 35.8 | -16.7 | 0 | 0 | 0 | 115.5 | ||||
| 423 | N | 25.8 | Very low | 31.5 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 77.5 | 127.4 | 142.4 | -99.1 | -49.6 | 0 | 0 | 0 | 124.5 | ||||
| 424 | R | 24.5 | Very low | 31.7 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 144.8 | 134.6 | -152.9 | 154.9 | -177.8 | 94.2 | 9.7 | 117.3 | ||||
| 425 | A | 32.2 | Very low | 31.7 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | cis | -155.6 | 155.4 | 8.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 426 | E | 24.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | 58.1 | 157.3 | 138.9 | -63.1 | -172.7 | 174.2 | 0 | 0 | 125.4 | ||||
| 427 | K | 28.9 | Very low | 32.5 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 92.6 | 135.3 | 153.5 | -49 | -169.9 | -176.1 | 174.1 | 0 | 118.5 | ||||
| 428 | A | 29.1 | Very low | 32.3 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | cis | 177.5 | 129.4 | -43.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 429 | K | 27.5 | Very low | 32.3 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | trans | -159.7 | 104 | 156.8 | -143.9 | 74.9 | 178.6 | -176.2 | 0 | 112.5 | ||||
| 430 | E | 29.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -103.1 | 177.9 | 153.4 | -130.9 | -148.6 | 151.9 | 0 | 0 | 107.5 | A432 | E430-A432 WeakPolarHBondContact OE1-CA 3.37Å; E430-A432 WeakPolarHBondContact OE1-CB 3.3Å | ||
| 431 | P | 38.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | cis | -127.7 | -165.4 | 35.8 | 19.2 | 7.5 | 0 | 0 | 0 | 113.3 | ||||
| 432 | A | 25.2 | Very low | 34.2 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 57% | 0.57 | 77% | 0.767 | S | S | * | * | cis | -176.5 | 166 | -43.9 | 0 | 0 | 0 | 0 | 0 | 108 | E430 | E430-A432 WeakPolarHBondContact OE1-CA 3.37Å; E430-A432 WeakPolarHBondContact OE1-CB 3.3Å | ||
| 433 | L | 42.3 | Very low | 33.5 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -91.3 | 171 | 174.9 | -63.9 | 172.8 | 0 | 0 | 0 | 112.6 | ||||
| 434 | P | 37.6 | Very low | 33.7 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -148.4 | 172.6 | 120.8 | 38.3 | -22.8 | 0 | 0 | 0 | 117 | |||||
| 435 | A | 31.9 | Very low | 34.3 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -145.6 | -168.7 | 166 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 436 | P | 49.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -135.6 | 179.7 | -13.3 | 41.1 | -23.1 | 0 | 0 | 0 | 115.6 | ||||
| 437 | K | 33.5 | Very low | 34.4 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 22.4 | 138.4 | 151.8 | -63.2 | -177.5 | -179.7 | -179.4 | 0 | 122.1 | ||||
| 438 | P | 35.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | -145.3 | 170.1 | 92.3 | 38.3 | -22.3 | 0 | 0 | 0 | 116.4 | |||||
| 439 | V | 29.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -153.6 | 125.9 | -178.6 | 170.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 440 | P | 56.9 | Low | 35 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | -153.2 | -150.4 | 103.2 | 45 | -25.8 | 0 | 0 | 0 | 111.3 | |||||
| 441 | P | 45.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | cis | -134.9 | 172.7 | -17.5 | 41.1 | -24.5 | 0 | 0 | 0 | 116.7 | ||||
| 442 | G | 26.1 | Very low | 34.4 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 86.3 | 141.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 443 | I | 28.9 | Very low | 34.5 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | cis | -146.1 | 145.1 | -3.5 | -47.2 | 175.2 | 0 | 0 | 0 | 108.6 | ||||
| 444 | H | 31.6 | Very low | 33.8 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 152.4 | 168.4 | -74.7 | -72.8 | 0 | 0 | 0 | 111.1 | ||||
| 445 | P | 37 | Very low | 33.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -125.4 | 151.2 | 104.5 | 4.3 | 17.6 | 0 | 0 | 0 | 111.4 | |||||
| 446 | S | 28.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | 70.7 | 130.4 | 47.5 | -150.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 447 | M | 28.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | cis | -130.9 | 178.2 | 15.4 | -34 | -176 | 76.1 | 0 | 0 | 109.7 | ||||
| 448 | V | 28 | Very low | 32.3 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | cis | -154.8 | 166.4 | 1 | 85.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 449 | Q | 33 | Very low | 31.9 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -145.1 | 176.4 | 158 | -151.6 | -157.4 | 47.2 | 0 | 0 | 107.1 | ||||
| 450 | P | 36.9 | Very low | 31.9 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | -160.1 | 166.4 | 83.9 | 44.7 | -25 | 0 | 0 | 0 | 119.3 | |||||
| 451 | H | 27 | Very low | 30.8 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 79.5 | 149.6 | 147.5 | -60.9 | -34 | 0 | 0 | 0 | 121.6 | ||||
| 452 | H | 30.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | -124.1 | 172.9 | -177.6 | -67.4 | -96.7 | 0 | 0 | 0 | 110.2 | ||||
| 453 | H | 26.1 | Very low | 30.3 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 96.1 | 125.6 | 149.8 | -63.7 | -61.6 | 0 | 0 | 0 | 121.1 | ||||
| 454 | V | 28.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | 71.6 | 156 | 143.8 | -60.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 455 | S | 24.6 | Very low | 31 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 82.6 | 103.7 | 163.5 | -59.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 456 | S | 29.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -51.2 | 153.6 | 154.2 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 457 | L | 36.4 | Very low | 31.1 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | 168.9 | 153.9 | 114 | -92.4 | 173.7 | 0 | 0 | 0 | 114.2 | |||||
| 458 | I | 29 | Very low | 31.3 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 140.5 | 149.8 | -70.3 | 156 | 0 | 0 | 0 | 120 | ||||
| 459 | S | 27.4 | Very low | 32 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 75.1 | 146 | 157.9 | -80.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 460 | N | 30.1 | Very low | 32.6 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -167 | 176.8 | -31.3 | -122.1 | -45.8 | 0 | 0 | 0 | 112.1 | ||||
| 461 | H | 32.9 | Very low | 32.5 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -46.7 | 136.8 | 176.5 | -71.7 | -105.2 | 0 | 0 | 0 | 117.7 | ||||
| 462 | A | 27.3 | Very low | 33.5 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -165.4 | 122 | 131.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 463 | L | 35.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | 76.9 | 102.7 | 56.6 | -70.3 | 178.8 | 0 | 0 | 0 | 115.8 | |||||
| 464 | Y | 37.2 | Very low | 35.5 | Very low | 213 Ų | 213 | 125.3 Ų | 125.3 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | 60.6 | 86.7 | 128.5 | -155.5 | -86.2 | 0 | 0 | 0 | 119.8 | |||||
| 465 | M | 36.1 | Very low | 36.5 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | -158.8 | 162.2 | 130 | -89.8 | -49.7 | -152.9 | 0 | 0 | 105 | |||||
| 466 | G | 28.6 | Very low | 37.6 | Very low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | cis | 147.1 | 143.1 | 18.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 467 | S | 41 | Very low | 38.5 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 97% | 0.965 | 74% | 0.744 | S | S | * | * | trans | -61.2 | 136.5 | -167.9 | -171.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 468 | G | 32.5 | Very low | 39.7 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 167.5 | 62.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 469 | A | 42.9 | Very low | 41.4 | Very low | 96 Ų | 96 | 115.6 Ų | 115.6 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | trans | 54.8 | 162.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 470 | V | 44.3 | Very low | 43.1 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 92% | 0.915 | 72% | 0.719 | S | S | * | * | trans | 71.2 | 122.8 | 168.8 | -164.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 471 | G | 35.1 | Very low | 44.7 | Very low | 66 Ų | 66 | 113.5 Ų | 113.5 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | trans | 177.4 | 16.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G473 | G471-G473 PolarHBondContact O-N 3.08Š| ||
| 472 | T | 48 | Very low | 46.2 | Very low | 151 Ų | 151 | 113.6 Ų | 113.6 | 93% | 0.926 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 36.5 | -168.9 | 38.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 473 | G | 51.4 | Low | 47.8 | Very low | 52 Ų | 52 | 111.6 Ų | 111.6 | 54% | 0.536 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -44.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | G471 | G471-G473 PolarHBondContact O-N 3.08Š|
| 474 | L | 46.7 | Very low | 49.4 | Very low | 149 Ų | 149 | 107.7 Ų | 107.7 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.6 | -24.9 | -162.7 | -64.6 | 174.4 | 0 | 0 | 0 | 115.1 | A476 | L474-A476 PolarHBondContact O-N 3.21Å |
| 475 | A | 49.4 | Very low | 51.2 | Low | 65 Ų | 65 | 102.3 Ų | 102.3 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.3 | -37.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S477 L478 I479 | A475-S477 PolarHBondContact O-N 3.25Å; A475-L478 PolarHBondContact O-N 3.4Å; A475-I479 WeakPolarHBondContact O-CG1 3.32Å; A475-I479 PolarHBondContact O-N 3.46Å; A475-I479 VanDerWaalsContact O-N 3.09Å |
| 476 | A | 47.6 | Very low | 52.8 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L474 L478 I479 T480 | L474-A476 PolarHBondContact O-N 3.21Å; A476-L478 PolarHBondContact O-N 2.88Å; A476-I479 PolarHBondContact O-N 3.28Å; A476-T480 WeakPolarHBondContact O-CB 3.41Å; A476-T480 PolarHBondContact O-N 3Å; A476-T480 PolarHBondContact O-OG1 3.36Å |
| 477 | S | 49.4 | Very low | 55.2 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 177.1 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | A475 T480 Q481 | A475-S477 PolarHBondContact O-N 3.25Å; S477-T480 PolarHBondContact O-N 2.99Å; S477-Q481 WeakPolarHBondContact O-CB 3.46Å; S477-Q481 PolarHBondContact O-N 3.42Å |
| 478 | L | 61.2 | Low | 57.1 | Low | 120 Ų | 120 | 102 Ų | 102 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.4 | -37.7 | -179.6 | -67.7 | 172.2 | 0 | 0 | 0 | 112.2 | A475 A476 R482 | A475-L478 PolarHBondContact O-N 3.4Å; A476-L478 PolarHBondContact O-N 2.88Å; L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.1Å |
| 479 | I | 65.6 | Low | 59.4 | Low | 117 Ų | 117 | 106 Ų | 106 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -44.7 | 172.5 | -66.1 | 165.2 | 0 | 0 | 0 | 110.2 | A475 A476 Q481 R482 A483 | A475-I479 WeakPolarHBondContact O-CG1 3.32Å; A475-I479 PolarHBondContact O-N 3.46Å; A475-I479 VanDerWaalsContact O-N 3.09Å; A476-I479 PolarHBondContact O-N 3.28Å; I479-Q481 PolarHBondContact O-N 2.97Å; I479-R482 PolarHBondContact O-N 3.38Å; I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 3.31Å |
| 480 | T | 63.1 | Low | 61.5 | Low | 80 Ų | 80 | 105.5 Ų | 105.5 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.4 | -38 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | A476 S477 N484 | A476-T480 WeakPolarHBondContact O-CB 3.41Å; A476-T480 PolarHBondContact O-N 3Å; A476-T480 PolarHBondContact O-OG1 3.36Å; S477-T480 PolarHBondContact O-N 2.99Å; T480-N484 PolarHBondContact O-N 3.17Å; T480-N484 VanDerWaalsContact O-N 3.1Å; T480-N484 PolarHBondContact O-ND2 2.84Å |
| 481 | Q | 64 | Low | 63.5 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65 | -47.2 | 174.7 | -177.9 | 177.2 | -16.5 | 0 | 0 | 111.3 | S477 I479 A483 N484 E485 | S477-Q481 WeakPolarHBondContact O-CB 3.46Å; S477-Q481 PolarHBondContact O-N 3.42Å; I479-Q481 PolarHBondContact O-N 2.97Å; Q481-A483 PolarHBondContact O-N 2.9Å; Q481-N484 WeakPolarHBondContact O-CB 3.49Å; Q481-N484 PolarHBondContact O-N 3.07Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.37Å; Q481-E485 PolarHBondContact NE2-OE1 2.92Å; Q481-E485 PolarHBondContact O-N 3.11Å |
| 482 | R | 63 | Low | 65.9 | Low | 170 Ų | 170 | 104.7 Ų | 104.7 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.9 | -47.4 | 176.7 | -177.6 | -177.7 | -63.6 | -120.8 | -0.1 | 111.7 | L478 I479 N484 E485 E486 | L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.1Å; I479-R482 PolarHBondContact O-N 3.38Å; R482-N484 VanDerWaalsContact C-N 3.29Å; R482-N484 PolarHBondContact O-N 3.13Å; R482-E485 PolarHBondContact O-N 3.4Å; R482-E486 WeakPolarHBondContact CD-OE1 3.35Å; R482-E486 HydrophobicContact CG-CG 4.47Å; R482-E486 VanDerWaalsContact CG-OE1 3.25Å; R482-E486 WeakPolarHBondContact CG-OE1 3.42Å; R482-E486 WeakPolarHBondContact O-CG 3.41Å; R482-E486 PolarHBondContact O-N 2.96Å |
| 483 | A | 60.4 | Low | 67.3 | Low | 51 Ų | 51 | 100.8 Ų | 100.8 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I479 Q481 E487 | I479-A483 WeakPolarHBondContact O-CB 3.38Å; I479-A483 PolarHBondContact O-N 3.31Å; Q481-A483 PolarHBondContact O-N 2.9Å; A483-E487 WeakPolarHBondContact O-CB 3.37Å; A483-E487 PolarHBondContact O-N 2.89Å |
| 484 | N | 69.3 | Low | 69 | Low | 73 Ų | 73 | 105 Ų | 105 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 174.1 | -88.9 | -92.9 | 0 | 0 | 0 | 112.8 | T480 Q481 R482 R488 | T480-N484 PolarHBondContact O-N 3.17Å; T480-N484 VanDerWaalsContact O-N 3.1Å; T480-N484 PolarHBondContact O-ND2 2.84Å; Q481-N484 WeakPolarHBondContact O-CB 3.49Å; Q481-N484 PolarHBondContact O-N 3.07Å; R482-N484 VanDerWaalsContact C-N 3.29Å; R482-N484 PolarHBondContact O-N 3.13Å; N484-R488 VanDerWaalsContact O-CB 3.29Å; N484-R488 WeakPolarHBondContact O-CB 3.24Å; N484-R488 VanDerWaalsContact O-CD 3.32Å; N484-R488 WeakPolarHBondContact O-CD 3.39Å; N484-R488 WeakPolarHBondContact O-CG 3.38Å; N484-R488 PolarHBondContact O-N 2.72Å |
| 485 | E | 75.2 | Confident | 70.9 | Confident | 101 Ų | 101 | 105.8 Ų | 105.8 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 178.2 | -71.9 | 173.3 | -163.3 | 0 | 0 | 111.7 | Q481 R482 R488 W489 | Q481-E485 WeakPolarHBondContact CG-OE1 3.37Å; Q481-E485 PolarHBondContact NE2-OE1 2.92Å; Q481-E485 PolarHBondContact O-N 3.11Å; R482-E485 PolarHBondContact O-N 3.4Å; E485-R488 PolarHBondContact O-N 2.95Å; E485-W489 PolarHBondContact O-N 3.45Å |
| 486 | E | 70.9 | Confident | 72.8 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 172.2 | -71.5 | 170.8 | -170.2 | 0 | 0 | 111.7 | R482 R488 W489 L490 | R482-E486 WeakPolarHBondContact CD-OE1 3.35Å; R482-E486 HydrophobicContact CG-CG 4.47Å; R482-E486 VanDerWaalsContact CG-OE1 3.25Å; R482-E486 WeakPolarHBondContact CG-OE1 3.42Å; R482-E486 WeakPolarHBondContact O-CG 3.41Å; R482-E486 PolarHBondContact O-N 2.96Å; E486-R488 PolarHBondContact O-N 3.36Å; E486-W489 WeakPolarHBondContact O-CB 3.41Å; E486-W489 PolarHBondContact O-N 3Å; E486-W489 VanDerWaalsContact O-N 3.1Å; E486-L490 WeakPolarHBondContact O-CG 3.39Å; E486-L490 PolarHBondContact O-N 3.41Å |
| 487 | E | 79.1 | Confident | 74.4 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.3 | -160.3 | -162.6 | 165.6 | 0 | 0 | 111.4 | A483 W489 L490 A491 | A483-E487 WeakPolarHBondContact O-CB 3.37Å; A483-E487 PolarHBondContact O-N 2.89Å; E487-W489 VanDerWaalsContact C-N 3.25Å; E487-W489 PolarHBondContact O-N 2.89Å; E487-L490 CarbonylContact O-C 3.57Å; E487-L490 PolarHBondContact O-N 2.88Å; E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.3Å; E487-A491 PolarHBondContact O-N 3.28Å |
| 488 | R | 79.9 | Confident | 76.1 | Confident | 156 Ų | 156 | 112.8 Ų | 112.8 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -29.9 | 173.1 | -74.4 | 166.7 | 178 | -172.5 | -1.8 | 112.3 | N484 E485 E486 R492 | N484-R488 VanDerWaalsContact O-CB 3.29Å; N484-R488 WeakPolarHBondContact O-CB 3.24Å; N484-R488 VanDerWaalsContact O-CD 3.32Å; N484-R488 WeakPolarHBondContact O-CD 3.39Å; N484-R488 WeakPolarHBondContact O-CG 3.38Å; N484-R488 PolarHBondContact O-N 2.72Å; E485-R488 PolarHBondContact O-N 2.95Å; E486-R488 PolarHBondContact O-N 3.36Å; R488-R492 WeakPolarHBondContact O-CG 3.44Å; R488-R492 PolarHBondContact O-N 3.48Å; R488-R492 PolarHBondContact O-NE 3.06Å |
| 489 | W | 81.8 | Confident | 77.4 | Confident | 151 Ų | 151 | 110 Ų | 110 | 57% | 0.572 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.3 | -47.6 | 172.3 | -171.9 | 94.6 | 0 | 0 | 0 | 111.1 | E485 E486 E487 A491 R492 Q493 | E485-W489 PolarHBondContact O-N 3.45Å; E486-W489 WeakPolarHBondContact O-CB 3.41Å; E486-W489 PolarHBondContact O-N 3Å; E486-W489 VanDerWaalsContact O-N 3.1Å; E487-W489 VanDerWaalsContact C-N 3.25Å; E487-W489 PolarHBondContact O-N 2.89Å; W489-A491 VanDerWaalsContact C-N 3.3Å; W489-A491 PolarHBondContact O-N 3.45Å; W489-R492 PolarHBondContact O-N 3.39Å; W489-R492 VanDerWaalsContact O-N 3.13Å; W489-Q493 VanDerWaalsContact CH2-NE2 3.28Å; W489-Q493 PolarHBondContact O-N 2.91Å |
| 490 | L | 86.4 | Confident | 78.1 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -33.3 | 175.2 | -69.3 | 170.5 | 0 | 0 | 0 | 112.7 | E486 E487 Q493 R494 | E486-L490 WeakPolarHBondContact O-CG 3.39Å; E486-L490 PolarHBondContact O-N 3.41Å; E487-L490 CarbonylContact O-C 3.57Å; E487-L490 PolarHBondContact O-N 2.88Å; L490-Q493 PolarHBondContact O-N 3.48Å; L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 WeakPolarHBondContact O-CG 3.35Å; L490-R494 PolarHBondContact O-N 2.82Å; L490-R494 PolarHBondContact O-NE 2.92Å |
| 491 | A | 85.8 | Confident | 79.1 | Confident | 41 Ų | 41 | 113.4 Ų | 113.4 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | E487 W489 R494 R495 | E487-A491 VanDerWaalsContact O-CB 3.29Å; E487-A491 WeakPolarHBondContact O-CB 3.3Å; E487-A491 PolarHBondContact O-N 3.28Å; W489-A491 VanDerWaalsContact C-N 3.3Å; W489-A491 PolarHBondContact O-N 3.45Å; A491-R494 PolarHBondContact O-N 2.77Å; A491-R495 WeakPolarHBondContact O-CB 3.36Å; A491-R495 PolarHBondContact O-N 3.27Å |
| 492 | R | 86.3 | Confident | 80.3 | Confident | 159 Ų | 159 | 112.3 Ų | 112.3 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -38.8 | 172.6 | -78.2 | 173.3 | -77.7 | -163.4 | 3.3 | 111.9 | R488 W489 R495 L496 | R488-R492 WeakPolarHBondContact O-CG 3.44Å; R488-R492 PolarHBondContact O-N 3.48Å; R488-R492 PolarHBondContact O-NE 3.06Å; W489-R492 PolarHBondContact O-N 3.39Å; W489-R492 VanDerWaalsContact O-N 3.13Å; R492-R495 PolarHBondContact O-N 3.34Å; R492-L496 WeakPolarHBondContact O-CB 3.19Å; R492-L496 PolarHBondContact O-N 3.45Å |
| 493 | Q | 76.4 | Confident | 81.6 | Confident | 68 Ų | 68 | 110.9 Ų | 110.9 | 32% | 0.318 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 175.4 | -151.3 | -162.8 | 62.1 | 0 | 0 | 112.7 | W489 L490 R497 | W489-Q493 VanDerWaalsContact CH2-NE2 3.28Å; W489-Q493 PolarHBondContact O-N 2.91Å; L490-Q493 PolarHBondContact O-N 3.48Å; Q493-R497 PolarHBondContact O-N 2.97Å; Q493-R497 VanDerWaalsContact O-N 3.13Å |
| 494 | R | 87.4 | Confident | 82.4 | Confident | 140 Ų | 140 | 114.3 Ų | 114.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 168.8 | -80.3 | 176.9 | -77 | 159 | -9.1 | 111.2 | L490 A491 L496 R497 Q498 | L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 WeakPolarHBondContact O-CG 3.35Å; L490-R494 PolarHBondContact O-N 2.82Å; L490-R494 PolarHBondContact O-NE 2.92Å; A491-R494 PolarHBondContact O-N 2.77Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.7Å; R494-R497 PolarHBondContact O-N 3.07Å; R494-R497 VanDerWaalsContact O-N 3.09Å; R494-Q498 PolarHBondContact O-N 3.36Å |
| 495 | R | 86.9 | Confident | 83.3 | Confident | 166 Ų | 166 | 114.1 Ų | 114.1 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.5 | -39.6 | 175.8 | -171.5 | -179.9 | 178.9 | -74.4 | -1 | 111.9 | A491 R492 Q498 E499 | A491-R495 WeakPolarHBondContact O-CB 3.36Å; A491-R495 PolarHBondContact O-N 3.27Å; R492-R495 PolarHBondContact O-N 3.34Å; R495-Q498 PolarHBondContact O-N 3.11Å; R495-E499 IonicContact CZ-OE2 2.62Å; R495-E499 IonicContact NH1-OE2 3.97Å; R495-E499 PolarHBondContact NH1-OE2 3Å; R495-E499 IonicContact NH2-OE2 3.38Å; R495-E499 WeakPolarHBondContact O-CB 3.47Å; R495-E499 PolarHBondContact O-N 2.8Å |
| 496 | L | 87.9 | Confident | 83.8 | Confident | 115 Ų | 115 | 115.7 Ų | 115.7 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -30.6 | 177.3 | -171.1 | 64.6 | 0 | 0 | 0 | 113.3 | R492 R494 K500 | R492-L496 WeakPolarHBondContact O-CB 3.19Å; R492-L496 PolarHBondContact O-N 3.45Å; R494-L496 VanDerWaalsContact C-N 3.28Å; R494-L496 PolarHBondContact O-N 2.7Å; L496-K500 PolarHBondContact O-N 3.47Å |
| 497 | R | 82.9 | Confident | 84.6 | Confident | 144 Ų | 144 | 114.6 Ų | 114.6 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -48 | 168.9 | -73.6 | -170.9 | -174.9 | 83.4 | -3.1 | 110.9 | Q493 R494 E499 K500 E501 | Q493-R497 PolarHBondContact O-N 2.97Å; Q493-R497 VanDerWaalsContact O-N 3.13Å; R494-R497 PolarHBondContact O-N 3.07Å; R494-R497 VanDerWaalsContact O-N 3.09Å; R497-E499 VanDerWaalsContact C-N 3.34Å; R497-E499 PolarHBondContact O-N 2.83Å; R497-K500 WeakPolarHBondContact O-CB 3.24Å; R497-K500 PolarHBondContact O-N 3.08Å; R497-K500 VanDerWaalsContact O-N 3.07Å; R497-E501 WeakPolarHBondContact O-CB 3.39Å; R497-E501 PolarHBondContact O-N 3.14Å |
| 498 | Q | 84.6 | Confident | 85 | Confident | 99 Ų | 99 | 112 Ų | 112 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 174.6 | -168.6 | 70.5 | 56.3 | 0 | 0 | 111.3 | R494 R495 K500 E501 D502 | R494-Q498 PolarHBondContact O-N 3.36Å; R495-Q498 PolarHBondContact O-N 3.11Å; Q498-K500 PolarHBondContact O-N 2.82Å; Q498-E501 CarbonylContact O-C 3.55Å; Q498-E501 PolarHBondContact O-N 2.83Å; Q498-D502 PolarHBondContact NE2-OD1 2.96Å; Q498-D502 WeakPolarHBondContact O-CB 3.45Å; Q498-D502 VanDerWaalsContact O-CG 3.28Å; Q498-D502 PolarHBondContact O-N 2.69Å |
| 499 | E | 87.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 109.5 Ų | 109.5 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -16 | -179.7 | -146.1 | -165.4 | 107.2 | 0 | 0 | 113.5 | R495 R497 R503 | R495-E499 IonicContact CZ-OE2 2.62Å; R495-E499 IonicContact NH1-OE2 3.97Å; R495-E499 PolarHBondContact NH1-OE2 3Å; R495-E499 IonicContact NH2-OE2 3.38Å; R495-E499 WeakPolarHBondContact O-CB 3.47Å; R495-E499 PolarHBondContact O-N 2.8Å; R497-E499 VanDerWaalsContact C-N 3.34Å; R497-E499 PolarHBondContact O-N 2.83Å; E499-R503 WeakPolarHBondContact O-CG 3.41Å; E499-R503 PolarHBondContact O-NH1 3.29Å; E499-R503 IonicContact OE1-CZ 2.82Å; E499-R503 VanDerWaalsContact OE1-CZ 3.23Å; E499-R503 IonicContact OE1-NH1 3.96Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å; E499-R503 IonicContact OE1-NH2 3.39Å; E499-R503 PolarHBondContact OE1-NH2 3.39Å |
| 500 | K | 81.6 | Confident | 85.4 | Confident | 146 Ų | 146 | 108.7 Ų | 108.7 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -86.4 | -40.6 | 168.7 | -174.9 | -175.4 | 175.1 | -173.1 | 0 | 111 | L496 R497 Q498 R503 Q504 | L496-K500 PolarHBondContact O-N 3.47Å; R497-K500 WeakPolarHBondContact O-CB 3.24Å; R497-K500 PolarHBondContact O-N 3.08Å; R497-K500 VanDerWaalsContact O-N 3.07Å; Q498-K500 PolarHBondContact O-N 2.82Å; K500-R503 PolarHBondContact O-N 3.45Å; K500-Q504 WeakPolarHBondContact O-CB 3.23Å; K500-Q504 PolarHBondContact O-N 3.09Å |
| 501 | E | 83.1 | Confident | 85.4 | Confident | 124 Ų | 124 | 112.9 Ų | 112.9 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 177.2 | -169.5 | 166.3 | -179.8 | 0 | 0 | 111.4 | R497 Q498 R503 Q504 S505 | R497-E501 WeakPolarHBondContact O-CB 3.39Å; R497-E501 PolarHBondContact O-N 3.14Å; Q498-E501 CarbonylContact O-C 3.55Å; Q498-E501 PolarHBondContact O-N 2.83Å; E501-R503 PolarHBondContact O-N 3.41Å; E501-Q504 CarbonylContact O-C 3.57Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.33Å |
| 502 | D | 89.8 | Confident | 85.4 | Confident | 87 Ų | 87 | 117.2 Ų | 117.2 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 172.8 | -68.9 | 5.8 | 0 | 0 | 0 | 111.4 | Q498 S505 Q506 | Q498-D502 PolarHBondContact NE2-OD1 2.96Å; Q498-D502 WeakPolarHBondContact O-CB 3.45Å; Q498-D502 VanDerWaalsContact O-CG 3.28Å; Q498-D502 PolarHBondContact O-N 2.69Å; D502-S505 WeakPolarHBondContact O-CB 3.27Å; D502-S505 PolarHBondContact O-N 3.17Å; D502-Q506 VanDerWaalsContact O-CB 3.27Å; D502-Q506 WeakPolarHBondContact O-CB 3.27Å; D502-Q506 PolarHBondContact O-N 3.49Å |
| 503 | R | 89.4 | Confident | 85.2 | Confident | 140 Ų | 140 | 114.4 Ų | 114.4 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 173.8 | -77.6 | -173.5 | -173 | 91.4 | -2.7 | 112.3 | E499 K500 E501 V507 | E499-R503 WeakPolarHBondContact O-CG 3.41Å; E499-R503 PolarHBondContact O-NH1 3.29Å; E499-R503 IonicContact OE1-CZ 2.82Å; E499-R503 VanDerWaalsContact OE1-CZ 3.23Å; E499-R503 IonicContact OE1-NH1 3.96Å; E499-R503 PolarHBondContact OE1-NH1 3.22Å; E499-R503 IonicContact OE1-NH2 3.39Å; E499-R503 PolarHBondContact OE1-NH2 3.39Å; K500-R503 PolarHBondContact O-N 3.45Å; E501-R503 PolarHBondContact O-N 3.41Å; R503-V507 WeakPolarHBondContact O-CB 3.44Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.26Å; R503-V507 PolarHBondContact O-N 3.45Å |
| 504 | Q | 78.4 | Confident | 85.6 | Confident | 123 Ų | 123 | 113.4 Ų | 113.4 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.7 | -34.3 | 176.8 | -175 | 166.2 | -7.7 | 0 | 0 | 111.6 | K500 E501 S508 | K500-Q504 WeakPolarHBondContact O-CB 3.23Å; K500-Q504 PolarHBondContact O-N 3.09Å; E501-Q504 CarbonylContact O-C 3.57Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.14Å; Q504-S508 WeakPolarHBondContact O-CB 3.15Å; Q504-S508 PolarHBondContact O-N 3.4Å; Q504-S508 PolarHBondContact O-OG 3.15Å |
| 505 | S | 86.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 112.1 Ų | 112.1 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -52.6 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 110 | E501 D502 V507 S508 E509 | E501-S505 VanDerWaalsContact O-CB 3.28Å; E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.33Å; D502-S505 WeakPolarHBondContact O-CB 3.27Å; D502-S505 PolarHBondContact O-N 3.17Å; S505-V507 VanDerWaalsContact C-N 3.3Å; S505-V507 PolarHBondContact O-N 2.81Å; S505-S508 CarbonylContact O-C 3.6Å; S505-S508 WeakPolarHBondContact O-CA 3.36Å; S505-S508 WeakPolarHBondContact O-CB 3.32Å; S505-S508 PolarHBondContact O-N 2.86Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.38Å |
| 506 | Q | 86.7 | Confident | 84.9 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -35.1 | 176.9 | -173.5 | 168.4 | 82.5 | 0 | 0 | 113.1 | D502 F510 | D502-Q506 VanDerWaalsContact O-CB 3.27Å; D502-Q506 WeakPolarHBondContact O-CB 3.27Å; D502-Q506 PolarHBondContact O-N 3.49Å; Q506-F510 VanDerWaalsContact O-CB 3.26Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.36Å |
| 507 | V | 88.6 | Confident | 84 | Confident | 83 Ų | 83 | 110.7 Ų | 110.7 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.8 | -29.8 | 171.4 | 167.7 | 0 | 0 | 0 | 0 | 112.4 | R503 S505 R511 | R503-V507 WeakPolarHBondContact O-CB 3.44Å; R503-V507 VanDerWaalsContact O-CG2 3.27Å; R503-V507 WeakPolarHBondContact O-CG2 3.26Å; R503-V507 PolarHBondContact O-N 3.45Å; S505-V507 VanDerWaalsContact C-N 3.3Å; S505-V507 PolarHBondContact O-N 2.81Å; V507-R511 WeakPolarHBondContact O-CB 3.31Å; V507-R511 WeakPolarHBondContact O-CG 3.5Å; V507-R511 PolarHBondContact O-N 2.9Å |
| 508 | S | 86.3 | Confident | 83.3 | Confident | 60 Ų | 60 | 109.4 Ų | 109.4 | 42% | 0.42 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78 | -40.8 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | Q504 S505 R511 Q512 | Q504-S508 WeakPolarHBondContact O-CB 3.15Å; Q504-S508 PolarHBondContact O-N 3.4Å; Q504-S508 PolarHBondContact O-OG 3.15Å; S505-S508 CarbonylContact O-C 3.6Å; S505-S508 WeakPolarHBondContact O-CA 3.36Å; S505-S508 WeakPolarHBondContact O-CB 3.32Å; S505-S508 PolarHBondContact O-N 2.86Å; S508-R511 CarbonylContact O-C 3.53Å; S508-R511 WeakPolarHBondContact O-CB 3.39Å; S508-R511 PolarHBondContact O-N 3.24Å; S508-Q512 WeakPolarHBondContact O-CB 3.38Å; S508-Q512 PolarHBondContact O-N 2.98Å |
| 509 | E | 87.8 | Confident | 82.6 | Confident | 103 Ų | 103 | 110.5 Ų | 110.5 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 170.9 | -177.1 | -179.3 | -164 | 0 | 0 | 110.6 | S505 R511 Q512 Q513 | S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 PolarHBondContact O-N 3.38Å; E509-R511 PolarHBondContact O-N 3.32Å; E509-Q512 CarbonylContact O-C 3.58Å; E509-Q512 PolarHBondContact O-N 2.93Å; E509-Q512 VanDerWaalsContact O-N 3.08Å; E509-Q513 WeakPolarHBondContact O-CB 3.48Å; E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 3.5Å |
| 510 | F | 83.3 | Confident | 81 | Confident | 134 Ų | 134 | 112.9 Ų | 112.9 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 173.1 | -177 | -102 | 0 | 0 | 0 | 112.1 | Q506 Q512 V514 | Q506-F510 VanDerWaalsContact O-CB 3.26Å; Q506-F510 WeakPolarHBondContact O-CB 3.44Å; Q506-F510 PolarHBondContact O-N 3.36Å; F510-Q512 VanDerWaalsContact C-N 3.29Å; F510-Q512 PolarHBondContact O-N 3.35Å; F510-V514 HydrophobicContact CD1-CG2 4.33Å; F510-V514 HydrophobicContact CE1-CG2 3.96Å; F510-V514 HydrophobicContact CE2-CG2 4.34Å; F510-V514 HydrophobicContact CZ-CG2 3.97Å; F510-V514 WeakPolarHBondContact O-CB 3.29Å; F510-V514 VanDerWaalsContact O-CG2 3.24Å; F510-V514 WeakPolarHBondContact O-CG2 3.35Å; F510-V514 PolarHBondContact O-N 3.28Å |
| 511 | R | 84.8 | Confident | 79.6 | Confident | 174 Ų | 174 | 113.3 Ų | 113.3 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62 | -36.1 | 171.7 | -80.9 | 175 | 176.5 | -94.2 | 0.2 | 112.4 | V507 S508 E509 L515 | V507-R511 WeakPolarHBondContact O-CB 3.31Å; V507-R511 WeakPolarHBondContact O-CG 3.5Å; V507-R511 PolarHBondContact O-N 2.9Å; S508-R511 CarbonylContact O-C 3.53Å; S508-R511 WeakPolarHBondContact O-CB 3.39Å; S508-R511 PolarHBondContact O-N 3.24Å; E509-R511 PolarHBondContact O-N 3.32Å; R511-L515 WeakPolarHBondContact O-CB 3.44Å; R511-L515 WeakPolarHBondContact O-CG 3.34Å; R511-L515 PolarHBondContact O-N 2.83Å |
| 512 | Q | 86.9 | Confident | 77.7 | Confident | 133 Ų | 133 | 112.1 Ų | 112.1 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74 | -43.3 | -179.6 | -170.9 | 156.3 | 4 | 0 | 0 | 111.5 | S508 E509 F510 V514 L515 E516 | S508-Q512 WeakPolarHBondContact O-CB 3.38Å; S508-Q512 PolarHBondContact O-N 2.98Å; E509-Q512 CarbonylContact O-C 3.58Å; E509-Q512 PolarHBondContact O-N 2.93Å; E509-Q512 VanDerWaalsContact O-N 3.08Å; F510-Q512 VanDerWaalsContact C-N 3.29Å; F510-Q512 PolarHBondContact O-N 3.35Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 2.67Å; Q512-L515 WeakPolarHBondContact O-CB 3.26Å; Q512-L515 PolarHBondContact O-N 3.38Å; Q512-L515 VanDerWaalsContact O-N 3.13Å; Q512-E516 VanDerWaalsContact O-CB 3.3Å; Q512-E516 WeakPolarHBondContact O-CB 3.38Å; Q512-E516 PolarHBondContact O-N 2.7Å |
| 513 | Q | 81.9 | Confident | 75.4 | Confident | 99 Ų | 99 | 117.6 Ų | 117.6 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -39 | 170.2 | -72 | 176.2 | 2.9 | 0 | 0 | 111.7 | E509 Q517 | E509-Q513 WeakPolarHBondContact O-CB 3.48Å; E509-Q513 WeakPolarHBondContact O-CG 3.36Å; E509-Q513 PolarHBondContact O-N 3.5Å; Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.98Å |
| 514 | V | 83.8 | Confident | 72.9 | Confident | 48 Ų | 48 | 116.8 Ų | 116.8 | 29% | 0.291 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.8 | -38.9 | 173.6 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | F510 Q512 H518 | F510-V514 HydrophobicContact CD1-CG2 4.33Å; F510-V514 HydrophobicContact CE1-CG2 3.96Å; F510-V514 HydrophobicContact CE2-CG2 4.34Å; F510-V514 HydrophobicContact CZ-CG2 3.97Å; F510-V514 WeakPolarHBondContact O-CB 3.29Å; F510-V514 VanDerWaalsContact O-CG2 3.24Å; F510-V514 WeakPolarHBondContact O-CG2 3.35Å; F510-V514 PolarHBondContact O-N 3.28Å; Q512-V514 VanDerWaalsContact C-N 3.31Å; Q512-V514 PolarHBondContact O-N 2.67Å; V514-H518 PolarHBondContact O-N 3.18Å; V514-H518 VanDerWaalsContact O-N 3.16Å; V514-H518 PolarHBondContact O-ND1 3.01Å |
| 515 | L | 82.3 | Confident | 70.9 | Confident | 113 Ų | 113 | 115.8 Ų | 115.8 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.5 | -44.1 | 174.4 | -78.8 | 163.2 | 0 | 0 | 0 | 112 | R511 Q512 H518 L519 | R511-L515 WeakPolarHBondContact O-CB 3.44Å; R511-L515 WeakPolarHBondContact O-CG 3.34Å; R511-L515 PolarHBondContact O-N 2.83Å; Q512-L515 WeakPolarHBondContact O-CB 3.26Å; Q512-L515 PolarHBondContact O-N 3.38Å; Q512-L515 VanDerWaalsContact O-N 3.13Å; L515-H518 PolarHBondContact O-N 2.95Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.45Å |
| 516 | E | 79.3 | Confident | 68.3 | Low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.2 | -44.1 | 177.1 | -167.6 | 160.9 | -140.6 | 0 | 0 | 111 | Q512 H518 L519 D520 | Q512-E516 VanDerWaalsContact O-CB 3.3Å; Q512-E516 WeakPolarHBondContact O-CB 3.38Å; Q512-E516 PolarHBondContact O-N 2.7Å; E516-H518 VanDerWaalsContact C-N 3.33Å; E516-H518 PolarHBondContact O-N 3.34Å; E516-L519 WeakPolarHBondContact O-CB 3.39Å; E516-L519 PolarHBondContact O-N 2.94Å; E516-D520 PolarHBondContact O-N 2.89Å |
| 517 | Q | 69 | Low | 65.9 | Low | 136 Ų | 136 | 120 Ų | 120 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.9 | -36 | 173.7 | -176.6 | 173 | 97.9 | 0 | 0 | 113.3 | Q513 L521 | Q513-Q517 WeakPolarHBondContact O-CB 3.39Å; Q513-Q517 PolarHBondContact O-N 2.98Å; Q517-L521 WeakPolarHBondContact O-CB 3.48Å; Q517-L521 PolarHBondContact O-N 3.34Å; Q517-L521 VanDerWaalsContact O-N 3.13Å |
| 518 | H | 68.1 | Low | 64 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 54% | 0.542 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.3 | -30.2 | 173.3 | -75.8 | 94.6 | 0 | 0 | 0 | 112.7 | V514 L515 E516 S522 | V514-H518 PolarHBondContact O-N 3.18Å; V514-H518 VanDerWaalsContact O-N 3.16Å; V514-H518 PolarHBondContact O-ND1 3.01Å; L515-H518 PolarHBondContact O-N 2.95Å; E516-H518 VanDerWaalsContact C-N 3.33Å; E516-H518 PolarHBondContact O-N 3.34Å; H518-S522 PolarHBondContact O-OG 2.87Å |
| 519 | L | 69.4 | Low | 61.3 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.8 | -43.3 | 176.1 | -70.9 | 164.9 | 0 | 0 | 0 | 111.5 | L515 E516 S522 | L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.45Å; E516-L519 WeakPolarHBondContact O-CB 3.39Å; E516-L519 PolarHBondContact O-N 2.94Å; L519-S522 WeakPolarHBondContact O-CB 3.47Å; L519-S522 PolarHBondContact O-N 3.39Å |
| 520 | D | 54 | Low | 58.7 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.8 | -38.4 | 175.7 | -80.7 | -24.6 | 0 | 0 | 0 | 112.1 | E516 S522 R523 | E516-D520 PolarHBondContact O-N 2.89Å; D520-S522 PolarHBondContact O-N 2.88Å; D520-S522 VanDerWaalsContact O-N 3.11Å; D520-R523 PolarHBondContact O-N 3.38Å |
| 521 | L | 52.7 | Low | 56.2 | Low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -12.2 | 174.2 | -157.7 | 72.3 | 0 | 0 | 0 | 113.2 | Q517 | Q517-L521 WeakPolarHBondContact O-CB 3.48Å; Q517-L521 PolarHBondContact O-N 3.34Å; Q517-L521 VanDerWaalsContact O-N 3.13Å |
| 522 | S | 42.1 | Very low | 53.6 | Low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.8 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | H518 L519 D520 | H518-S522 PolarHBondContact O-OG 2.87Å; L519-S522 WeakPolarHBondContact O-CB 3.47Å; L519-S522 PolarHBondContact O-N 3.39Å; D520-S522 PolarHBondContact O-N 2.88Å; D520-S522 VanDerWaalsContact O-N 3.11Å |
| 523 | R | 42.2 | Very low | 50.8 | Low | 202 Ų | 202 | 133.4 Ų | 133.4 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | -106.3 | 120.3 | -174.7 | -158.8 | 175.3 | -165.4 | 168.9 | 3.5 | 111.9 | D520 | D520-R523 PolarHBondContact O-N 3.38Š| ||
| 524 | P | 36.4 | Very low | 48.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -68.5 | 144.8 | 173.4 | 29.4 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 525 | A | 35.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -87.5 | 134.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 526 | D | 33.2 | Very low | 43.1 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -135.8 | 163.5 | 166.6 | -114 | -45.3 | 0 | 0 | 0 | 110 | ||||
| 527 | V | 35.6 | Very low | 40.8 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -89.6 | 169.4 | -153.8 | -99.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 528 | P | 49.9 | Very low | 38.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -97.4 | 166.4 | -148.9 | 39.1 | -38.9 | 0 | 0 | 0 | 115.3 | ||||
| 529 | D | 28.8 | Very low | 36.8 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -147.4 | 165.7 | 157.6 | -138.2 | -32.7 | 0 | 0 | 0 | 112.8 | ||||
| 530 | H | 34.5 | Very low | 34.8 | Very low | 177 Ų | 177 | 144 Ų | 144 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | -110.5 | 160.3 | -162.3 | -100.6 | -58 | 0 | 0 | 0 | 115.7 | ||||
| 531 | R | 29 | Very low | 33.5 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | 75.8 | 149.5 | 172.5 | -63.9 | 172 | 166.4 | 162.2 | -4.4 | 114.6 | ||||
| 532 | T | 31.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -144 | 156 | 26.4 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 533 | D | 28.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -57.5 | 169.7 | 165.7 | -50.2 | -95.7 | 0 | 0 | 0 | 112.2 | ||||
| 534 | A | 28.7 | Very low | 30.9 | Very low | 69 Ų | 69 | 147 Ų | 147 | 57% | 0.57 | 78% | 0.775 | S | S | * | * | cis | -172.4 | 175.3 | 34.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 535 | H | 30.9 | Very low | 31.6 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | 74 | 149.2 | 158.1 | -55.1 | 115.1 | 0 | 0 | 0 | 119.9 | ||||
| 536 | S | 26.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | cis | 166.8 | 130.3 | -47.1 | 51.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 537 | R | 30.7 | Very low | 30.8 | Very low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -174.9 | 119.5 | 152.7 | -98.1 | 153.9 | -162.2 | -116.8 | 4.6 | 106.7 | ||||
| 538 | S | 26.6 | Very low | 30.6 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 70.8 | 118.3 | 50.5 | -165.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 539 | M | 27 | Very low | 29.6 | Very low | 149 Ų | 149 | 145 Ų | 145 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -135.9 | 143.5 | 23.6 | -77.7 | -64.1 | -171.2 | 0 | 0 | 111.1 | ||||
| 540 | Q | 28.1 | Very low | 29.6 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | 71.6 | 119.1 | 69.8 | -172.6 | 174.2 | -6.3 | 0 | 0 | 113.2 | |||||
| 541 | N | 26.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | -158.6 | 172.8 | 70.6 | -117.5 | -34.3 | 0 | 0 | 0 | 116.4 | |||||
| 542 | H | 29.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -49.9 | 164.9 | -179.2 | -68.1 | -67.7 | 0 | 0 | 0 | 117.9 | ||||
| 543 | H | 28.7 | Very low | 30.8 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | cis | -154.2 | 168.5 | 42.2 | -155 | 35.9 | 0 | 0 | 0 | 115.8 | ||||
| 544 | E | 25.4 | Very low | 31.1 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -130.7 | -171.6 | -174.1 | -115.3 | -98.2 | 116.7 | 0 | 0 | 107.1 | ||||
| 545 | P | 49.6 | Very low | 31.1 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | cis | -137.9 | 172.2 | 3.8 | 41.5 | -23.2 | 0 | 0 | 0 | 118.8 | ||||
| 546 | G | 26.8 | Very low | 31.2 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | 127.9 | 135.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 547 | S | 24.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | cis | -159.1 | 130 | -0.6 | -159.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 548 | R | 32.1 | Very low | 33.1 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 42.5 | 121.1 | 146.1 | -59.7 | -172.8 | 97.9 | 114.3 | 19.2 | 123.4 | ||||
| 549 | E | 28.2 | Very low | 34.1 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 57% | 0.57 | 74% | 0.744 | S | S | * | * | 67.1 | 151.1 | 120.5 | -62 | 163.9 | 178.5 | 0 | 0 | 120.1 | |||||
| 550 | H | 28.9 | Very low | 34.3 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | cis | -138.5 | 164 | 9.4 | -67.3 | -86.5 | 0 | 0 | 0 | 113.2 | ||||
| 551 | H | 36.8 | Very low | 34.2 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -109.3 | 152.9 | 152.3 | -113.8 | -56.7 | 0 | 0 | 0 | 108.9 | ||||
| 552 | P | 49.1 | Very low | 34.5 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | -154.1 | 142.8 | 112.2 | 35.7 | -16.8 | 0 | 0 | 0 | 118.4 | |||||
| 553 | H | 34.2 | Very low | 34.9 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 48.7 | 121.9 | 134.7 | -67.6 | -75.6 | 0 | 0 | 0 | 125.9 | ||||
| 554 | L | 34.7 | Very low | 34.7 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | 71.7 | 134.5 | 123.4 | -62.1 | 171 | 0 | 0 | 0 | 122.9 | |||||
| 555 | G | 28.3 | Very low | 35.9 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | 175.5 | 124.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 556 | A | 34.2 | Very low | 35 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -101.3 | 150.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 557 | P | 53.2 | Low | 35.1 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -88.4 | 141.3 | -173.4 | 34.8 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 558 | P | 43.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -149.8 | -166.2 | 123.8 | 40.3 | -23.7 | 0 | 0 | 0 | 111.9 | |||||
| 559 | P | 48.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -130.6 | 158.3 | -38.4 | 24.1 | -2.9 | 0 | 0 | 0 | 115.7 | ||||
| 560 | L | 29.5 | Very low | 37.2 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 56.6 | 126.9 | 136.1 | -60.4 | 173.5 | 0 | 0 | 0 | 124.9 | ||||
| 561 | I | 26 | Very low | 37.2 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 77 | 110.6 | 132.1 | -62.1 | 169.4 | 0 | 0 | 0 | 121.4 | ||||
| 562 | S | 33.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | 31.6 | 146.1 | 128.4 | -153.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 563 | P | 36.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | -137.4 | -173.4 | 103.3 | 39.9 | -29.5 | 0 | 0 | 0 | 115.6 | |||||
| 564 | K | 24.3 | Very low | 36.4 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -117.2 | -162 | -175.2 | -135.7 | -166.9 | 172.5 | 175 | 0 | 111.3 | ||||
| 565 | P | 52.5 | Low | 37.1 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -102.5 | 178.8 | -142.7 | 44 | -31.9 | 0 | 0 | 0 | 115.3 | ||||
| 566 | P | 30.6 | Very low | 37.9 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -142.9 | 171.6 | 141.4 | 38 | -22.6 | 0 | 0 | 0 | 117.1 | ||||
| 567 | Q | 27.7 | Very low | 38.1 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -151.5 | 174.8 | 169 | -84.5 | -122.7 | 8.2 | 0 | 0 | 106.6 | ||||
| 568 | P | 58.8 | Low | 37 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -120.8 | -165.7 | -28.8 | 40.3 | -23.5 | 0 | 0 | 0 | 111.4 | ||||
| 569 | P | 42.2 | Very low | 36.6 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | -145.7 | -179.3 | 85.9 | 38.8 | -20.4 | 0 | 0 | 0 | 113.4 | |||||
| 570 | R | 28.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | 99.6 | 141.3 | 4.2 | -167.2 | 174.3 | 168.5 | -74.6 | -22.1 | 119 | H573 | R570-H573 PolarHBondContact NH2-NE2 3.43Š| ||
| 571 | E | 29.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 57% | 0.57 | 75% | 0.751 | S | S | * | * | trans | 97.9 | 142.5 | 172.6 | -58.2 | -143.1 | 178.1 | 0 | 0 | 117.5 | ||||
| 572 | H | 28.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | cis | -120.1 | -171.2 | 14.4 | -73.8 | -61.5 | 0 | 0 | 0 | 115.9 | ||||
| 573 | H | 24.9 | Very low | 36.9 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | trans | -140.7 | -163.9 | -172 | -70.6 | -84.4 | 0 | 0 | 0 | 110.1 | R570 | R570-H573 PolarHBondContact NH2-NE2 3.43Š| ||
| 574 | P | 49.7 | Very low | 36.7 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | -123.5 | -140.4 | -65.6 | 40.3 | -21.7 | 0 | 0 | 0 | 109.4 | |||||
| 575 | P | 48.5 | Very low | 37 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | cis | -127 | -142.7 | -24.1 | 33.6 | -8.9 | 0 | 0 | 0 | 111.7 | ||||
| 576 | P | 45.8 | Very low | 36 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | -116.6 | -145.1 | -84.7 | 35.6 | -14.4 | 0 | 0 | 0 | 112.3 | |||||
| 577 | P | 37.3 | Very low | 36 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -126.8 | 146.4 | -75.2 | 34.9 | -18 | 0 | 0 | 0 | 114.8 | |||||
| 578 | T | 30.1 | Very low | 35.9 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -147.7 | 136.3 | 156.6 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 579 | T | 35.4 | Very low | 34.4 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | 11.6 | 127.7 | 154 | 53.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 580 | L | 30.3 | Very low | 33.5 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | cis | 43.8 | 107.3 | 19.2 | -79.1 | 179.6 | 0 | 0 | 0 | 115.3 | ||||
| 581 | W | 30.2 | Very low | 33.4 | Very low | 235 Ų | 235 | 117 Ų | 117 | 89% | 0.89 | 65% | 0.654 | S | S | * | * | -179.3 | 140.8 | 104.6 | -99.3 | 93.6 | 0 | 0 | 0 | 108.8 | |||||
| 582 | N | 46.8 | Very low | 33.1 | Very low | 143 Ų | 143 | 116.6 Ų | 116.6 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | trans | -100.7 | 119.6 | 171.3 | 175.6 | 13.6 | 0 | 0 | 0 | 108.5 | ||||
| 583 | P | 35.6 | Very low | 33 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | trans | -116.9 | 111.7 | 169.8 | 33.8 | -19.4 | 0 | 0 | 0 | 111.8 | ||||
| 584 | A | 32.3 | Very low | 33.1 | Very low | 91 Ų | 91 | 117 Ų | 117 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | trans | -74.5 | 151.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 585 | S | 30.8 | Very low | 32 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | trans | -165.3 | 142 | 165.6 | -76.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 586 | L | 32.4 | Very low | 30.8 | Very low | 155 Ų | 155 | 122 Ų | 122 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | cis | -117.9 | 150.4 | 4.1 | -73.2 | 87.5 | 0 | 0 | 0 | 108.7 | ||||
| 587 | I | 31 | Very low | 29.7 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | 67 | 115.3 | 52.6 | -51.3 | 160.6 | 0 | 0 | 0 | 109.6 | |||||
| 588 | E | 25.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 50% | 0.5 | 66% | 0.657 | S | S | . | * | cis | -136.3 | -143.9 | 28.3 | -155.9 | -132.3 | 94.7 | 0 | 0 | 114.4 | A55 A56 | A55-E588 VanDerWaalsContact CB-OE1 3.25Å; A55-E588 WeakPolarHBondContact CB-OE1 3.25Å; A56-E588 WeakPolarHBondContact CB-OE1 3.45Å; A56-E588 WeakPolarHBondContact CB-OE2 3.5Å; A56-E588 PolarHBondContact N-OE1 3.17Å; A56-E588 VanDerWaalsContact N-OE1 3.16Å | ||
| 589 | T | 26.3 | Very low | 29 | Very low | 30 Ų | 30 | 125.3 Ų | 125.3 | 18% | 0.184 | 66% | 0.656 | C | S | . | * | trans | -146.6 | -174.6 | -167.5 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | F53 A55 A56 L57 | F53-T589 HydrophobicContact CD2-CG2 3.44Å; F53-T589 VanDerWaalsContact CD2-CG2 3.44Å; F53-T589 HydrophobicContact CE2-CG2 3.44Å; F53-T589 VanDerWaalsContact CE2-CG2 3.44Å; F53-T589 HydrophobicContact CG-CG2 4.4Å; F53-T589 HydrophobicContact CZ-CG2 4.42Å; F53-T589 VanDerWaalsContact O-CB 3.23Å; F53-T589 WeakPolarHBondContact O-CB 3.12Å; F53-T589 PolarHBondContact O-OG1 3.13Å; A55-T589 PolarHBondContact N-OG1 3.38Å; A56-T589 CarbonylContact C-O 3.59Å; A56-T589 WeakPolarHBondContact CA-O 3.36Å; A56-T589 WeakPolarHBondContact CB-O 3.4Å; A56-T589 PolarHBondContact N-O 3.14Å; L57-T589 PolarHBondContact N-O 3.25Å | ||
| 590 | A | 24.6 | Very low | 28.6 | Very low | 21 Ų | 21 | 123.7 Ų | 123.7 | 17% | 0.174 | 65% | 0.65 | C | S | . | * | trans | 88.9 | -115.9 | 132.9 | 0 | 0 | 0 | 0 | 0 | 132.9 | F53 A54 A56 L57 | F53-A590 VanDerWaalsContact O-CB 3.29Å; F53-A590 WeakPolarHBondContact O-CB 3.29Å; A54-A590 CarbonylContact O-C 3.52Å; A54-A590 WeakPolarHBondContact O-CA 3.43Å; A54-A590 WeakPolarHBondContact O-CB 3.27Å; A56-A590 VanDerWaalsContact N-C 3.28Å; L57-A590 WeakPolarHBondContact CB-O 3.35Å; L57-A590 HydrophobicContact CG-CB 4.41Å; L57-A590 PolarHBondContact N-O 3.19Å | ||
| 591 | S | 25.7 | Very low | 28.4 | Very low | 31 Ų | 31 | 120 Ų | 120 | 22% | 0.217 | 65% | 0.647 | C | S | . | * | -101.7 | 163.4 | -110.5 | -137.2 | 0 | 0 | 0 | 0 | 128.1 | A54 A55 R58 | A54-S591 WeakPolarHBondContact O-CA 3.49Å; A54-S591 WeakPolarHBondContact O-CB 3.45Å; A54-S591 PolarHBondContact O-N 3.27Å; A54-S591 PolarHBondContact O-OG 3.25Å; A55-S591 WeakPolarHBondContact O-CB 3.47Å; A55-S591 PolarHBondContact O-N 3.02Å; R58-S591 WeakPolarHBondContact CB-O 3.33Å; R58-S591 WeakPolarHBondContact CD-O 3.33Å; R58-S591 WeakPolarHBondContact CG-O 3.36Å; R58-S591 VanDerWaalsContact CZ-C 3.41Å; R58-S591 VanDerWaalsContact NE-C 3.29Å; R58-S591 PolarHBondContact NE-O 3.17Å; R58-S591 VanDerWaalsContact NE-O 3.16Å | |||
| 592 | E | 22.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 118 Ų | 118 | 53% | 0.533 | 65% | 0.65 | S | S | . | * | trans | -5.6 | 122.9 | 149.5 | -83.7 | 36.2 | -88.5 | 0 | 0 | 116.6 | R58 | R58-E592 IonicContact CZ-OE1 3.3Å; R58-E592 IonicContact NH1-OE1 2.74Å; R58-E592 PolarHBondContact NH1-OE1 3.3Å; R58-E592 VanDerWaalsContact NH2-N 3.19Å; R58-E592 IonicContact NH2-OE1 3.92Å; R58-E592 PolarHBondContact NH2-OE1 3.28Å; R58-E592 IonicContact NH2-OE2 3.14Å | ||
| 593 | S | 27.8 | Very low | 27.3 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 59% | 0.594 | 65% | 0.648 | S | S | * | * | 85.5 | 106.7 | 59.5 | -172.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 594 | R | 27.4 | Very low | 26.8 | Very low | 232 Ų | 232 | 117 Ų | 117 | 88% | 0.875 | 65% | 0.649 | S | S | * | * | trans | -168 | 130 | 161.2 | -104.4 | 161.6 | -148.3 | -89.7 | 2 | 103.5 | ||||
| 595 | R | 26.5 | Very low | 26.5 | Very low | 233 Ų | 233 | 120.2 Ų | 120.2 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | 48.6 | 120.1 | 66.5 | -67.3 | -167.3 | 179.8 | -152.7 | 2.3 | 110.1 | |||||
| 596 | S | 22 | Very low | 26.3 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | cis | -173.1 | 178.7 | 22.5 | 42.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 597 | H | 22.5 | Very low | 26.2 | Very low | 174 Ų | 174 | 120.9 Ų | 120.9 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | trans | 78.4 | 108.5 | 154.9 | -89.8 | -77.6 | 0 | 0 | 0 | 119.1 | ||||
| 598 | E | 25.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | -13.7 | 138.1 | 121.2 | -89.9 | -72.4 | 123.4 | 0 | 0 | 114 | S600 | E598-S600 WeakPolarHBondContact OE2-CB 3.47Å; E598-S600 PolarHBondContact OE2-N 2.95Å; E598-S600 PolarHBondContact OE2-OG 3.14Å | |||
| 599 | P | 29 | Very low | 26.3 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 81% | 0.805 | 65% | 0.646 | S | S | * | * | -137.3 | 145.3 | 73 | 38.2 | -25.2 | 0 | 0 | 0 | 117.8 | |||||
| 600 | S | 26.1 | Very low | 26.3 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | trans | -45.3 | 148.1 | 157.9 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | E598 | E598-S600 WeakPolarHBondContact OE2-CB 3.47Å; E598-S600 PolarHBondContact OE2-N 2.95Å; E598-S600 PolarHBondContact OE2-OG 3.14Å | ||
| 601 | G | 26.8 | Very low | 27.1 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | trans | -140 | 112.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 602 | M | 25.7 | Very low | 27.1 | Very low | 194 Ų | 194 | 137 Ų | 137 | 96% | 0.956 | 73% | 0.729 | S | S | * | * | 67.1 | 110.2 | 83.1 | -74.6 | 171.6 | 53.5 | 0 | 0 | 113.4 | |||||
| 603 | G | 27 | Very low | 27.3 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | cis | 152.1 | -177.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 604 | H | 25.1 | Very low | 27.8 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 67.9 | 143.9 | 160.2 | -112.7 | -91.6 | 0 | 0 | 0 | 116.3 | ||||
| 605 | F | 27.1 | Very low | 27.7 | Very low | 160 Ų | 160 | 130 Ų | 130 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | cis | -143.1 | 146.6 | 28.7 | -101.8 | -99.1 | 0 | 0 | 0 | 113.5 | ||||
| 606 | E | 26.2 | Very low | 27.7 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | 60.6 | 155.9 | 141.9 | -76.3 | -173.4 | 143.8 | 0 | 0 | 121.7 | ||||
| 607 | L | 30.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | cis | -152.6 | 171.4 | -3.4 | -103.8 | 153.2 | 0 | 0 | 0 | 104.8 | ||||
| 608 | S | 31.1 | Very low | 28 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | cis | -164.5 | 178.8 | 7.2 | -94.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 609 | R | 28.1 | Very low | 28 | Very low | 215 Ų | 215 | 133 Ų | 133 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | cis | -168.6 | 167.4 | -24.1 | -92 | 167.8 | -155.5 | -149.8 | -0.6 | 104.4 | ||||
| 610 | G | 26.6 | Very low | 28 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | cis | 107.4 | 133.6 | 9.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 611 | P | 39.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | cis | -143.7 | -165.2 | -13 | 32 | -6.8 | 0 | 0 | 0 | 115 | ||||
| 612 | Q | 26.5 | Very low | 28.2 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | 89.7 | 144.8 | 159.8 | -54 | -177.5 | 3.2 | 0 | 0 | 120.3 | ||||
| 613 | G | 26 | Very low | 28.4 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | -118.4 | -140.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 614 | P | 40.1 | Very low | 28.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | cis | -140 | 173.2 | -3.9 | 43.2 | -26.2 | 0 | 0 | 0 | 116.4 | ||||
| 615 | S | 24.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | 76.9 | 149.7 | 147.9 | 87 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 616 | K | 26.9 | Very low | 29 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | trans | 79.4 | 121.2 | 145.8 | -80.1 | -175.2 | 177.3 | -171.5 | 0 | 123.1 | ||||
| 617 | Y | 25.3 | Very low | 29.4 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | 69.8 | 133.7 | 129.4 | -106.7 | -112.2 | 0 | 0 | 0 | 123.1 | |||||
| 618 | E | 24.8 | Very low | 29.7 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 54.9 | 169.9 | 150.3 | -77.9 | 176.3 | 173.1 | 0 | 0 | 118.8 | ||||
| 619 | D | 24.6 | Very low | 29.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | cis | -158.5 | 173.1 | -35.3 | 175.6 | 40.7 | 0 | 0 | 0 | 107.1 | ||||
| 620 | G | 28.6 | Very low | 30 | Very low | 39 Ų | 39 | 140.2 Ų | 140.2 | 40% | 0.402 | 74% | 0.744 | S | S | . | * | 94.7 | 56.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 621 | T | 28.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 67.6 | 155 | 136.2 | 73.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 622 | R | 29.7 | Very low | 29.6 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 102.3 | 104.6 | 147.2 | -66 | 149 | -169 | -116.5 | 0.3 | 122.4 | ||||
| 623 | R | 29.9 | Very low | 31 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | 72.1 | 133.7 | 115.6 | -69.2 | -174.6 | -169.9 | -86.7 | 4.6 | 123.4 | |||||
| 624 | R | 31.1 | Very low | 32.6 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | 100 | 122.7 | 140.6 | -76.9 | -177.5 | -176.4 | 144 | -1.1 | 124.4 | ||||
| 625 | D | 29.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | 73.3 | 109 | 121 | -46.8 | -9.9 | 0 | 0 | 0 | 126.7 | |||||
| 626 | M | 30.5 | Very low | 32.7 | Very low | 179 Ų | 179 | 157.4 Ų | 157.4 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | 79.3 | 139.1 | 119.2 | -140.2 | 67.9 | 84.3 | 0 | 0 | 127.5 | |||||
| 627 | A | 34.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 154.9 Ų | 154.9 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 80.8 | 162.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 628 | V | 36.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | cis | -176.4 | 174.1 | -34.4 | 74.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 629 | I | 31.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 82.1 | 156 | 159.5 | -84.8 | 167.1 | 0 | 0 | 0 | 121.7 | ||||
| 630 | E | 34.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | cis | 178.9 | 167.2 | -34.9 | -153.1 | -150.2 | 130.3 | 0 | 0 | 115 | ||||
| 631 | K | 29.1 | Very low | 35.1 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 105.8 | 167.3 | 155.3 | -59.9 | -176.9 | -174.2 | -178.1 | 0 | 124.1 | ||||
| 632 | Y | 29.3 | Very low | 35.3 | Very low | 224 Ų | 224 | 156 Ų | 156 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -123.5 | 0 | -135.3 | -96.7 | -76.2 | 0 | 0 | 0 | 124.9 | ||||
| 633 | P | 55.6 | Low | 35.4 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | 0 | 0 | 0 | 45.9 | -21.2 | 0 | 0 | 0 | 117.5 | |||||
| 634 | P | 60.4 | Low | 35.5 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | 0 | 179.7 | 0 | 43.1 | -23.4 | 0 | 0 | 0 | 120.5 | |||||
| 635 | H | 32.9 | Very low | 35.4 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 93 | 131.4 | 139.5 | -77.4 | -37.1 | 0 | 0 | 0 | 131.7 | ||||
| 636 | R | 33.3 | Very low | 35.6 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | 96.2 | 151.6 | 142.8 | -76.4 | -176.4 | 179.9 | -171.3 | 1 | 126.7 | ||||
| 637 | T | 30 | Very low | 35.6 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -157.4 | 0 | -174 | 59 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 638 | P | 46.4 | Very low | 35.4 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 0 | -161.7 | 0 | 46.1 | -24.4 | 0 | 0 | 0 | 118.2 | |||||
| 639 | L | 34 | Very low | 35.1 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | 140.6 | 178.3 | 150.9 | -140.4 | 76.9 | 0 | 0 | 0 | 118.5 | ||||
| 640 | V | 35.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -147.6 | 149.9 | -146.6 | 171.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 641 | L | 33.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -161.6 | 171.4 | 146.7 | -113.1 | 170.8 | 0 | 0 | 0 | 111.1 | ||||
| 642 | S | 33.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -148.3 | 175.5 | -173.5 | -151.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 643 | E | 31.2 | Very low | 35 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | cis | -141.3 | -161 | 16.7 | -67.8 | 179.4 | 42 | 0 | 0 | 110.2 | ||||
| 644 | H | 33.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -152.4 | 178.8 | 6.6 | -36.8 | -103.2 | 0 | 0 | 0 | 111.1 | ||||
| 645 | G | 27.9 | Very low | 31.8 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 134.7 | 84.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 646 | T | 35.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 50.1 | 116.8 | 151.1 | 49.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 647 | F | 29.7 | Very low | 31.3 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 77.8 | 119.7 | 137.4 | -81.6 | -71.7 | 0 | 0 | 0 | 124.8 | ||||
| 648 | L | 30.4 | Very low | 31.4 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 76.6 | 81 | 142 | -86.2 | 163 | 0 | 0 | 0 | 122.8 | ||||
| 649 | A | 29.2 | Very low | 30.7 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | trans | -38.8 | 162.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 650 | D | 30.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | cis | -154.8 | 162.7 | -3 | -110.2 | -24 | 0 | 0 | 0 | 112.8 | ||||
| 651 | L | 30.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -147 | 149.1 | 175.9 | -171.1 | 75.7 | 0 | 0 | 0 | 110.8 | ||||
| 652 | E | 30.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | 76.6 | 168.5 | 151.2 | -110.7 | -166.8 | 110 | 0 | 0 | 121.5 | ||||
| 653 | K | 30.9 | Very low | 29.9 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 69.1 | 101.8 | 154.2 | -76.8 | 171.3 | -100.3 | -79.7 | 0 | 121.3 | ||||
| 654 | S | 25.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 31.3 | 136.1 | 107.4 | -164.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 655 | T | 24 | Very low | 29.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 65.3 | 110.6 | 146.4 | 42.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 656 | Q | 29.2 | Very low | 29.2 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | 31.7 | 118.5 | 138.8 | -65.9 | -178.4 | -14.5 | 0 | 0 | 120.9 | ||||
| 657 | S | 26.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | -160.5 | 166.3 | 123.3 | -162.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 658 | F | 31.2 | Very low | 28.7 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | trans | -117.6 | 160.4 | -171.8 | -111.4 | -116.8 | 0 | 0 | 0 | 113 | ||||
| 659 | L | 32 | Very low | 28.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 112.1 | 153.2 | -80.1 | 158.4 | 0 | 0 | 0 | 121 | Q661 | L659-Q661 HydrophobicContact CD2-CG 4Š| ||
| 660 | S | 25.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -133.8 | 98.4 | 138.3 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 661 | Q | 34 | Very low | 28.7 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | trans | -67.2 | 167.5 | 156.7 | -69.9 | -175.5 | 20.9 | 0 | 0 | 109.4 | L659 | L659-Q661 HydrophobicContact CD2-CG 4Š| ||
| 662 | Q | 32 | Very low | 28.4 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -154.4 | 174.1 | 16.5 | -133.7 | 168.6 | 63.6 | 0 | 0 | 105.4 | ||||
| 663 | R | 29.6 | Very low | 28.2 | Very low | 208 Ų | 208 | 136 Ų | 136 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | -173.7 | 151.5 | 38.9 | -148.7 | 174.1 | -129.6 | -162.8 | -0.3 | 111.4 | ||||
| 664 | A | 25.9 | Very low | 28.1 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 30.7 | 151.7 | 143 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 665 | S | 26 | Very low | 28.1 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -94 | 150.7 | 18.5 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 666 | M | 24 | Very low | 28.3 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | 60.1 | 134.1 | 55.1 | -57.4 | -69.9 | 98.5 | 0 | 0 | 112 | |||||
| 667 | S | 22.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | cis | -150.4 | 150.6 | 15.1 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 668 | L | 31.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -63.5 | 156.1 | 154 | -105.4 | 163.5 | 0 | 0 | 0 | 110 | ||||
| 669 | P | 33.6 | Very low | 28.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -147.1 | 167.5 | 75 | 39.9 | -21.7 | 0 | 0 | 0 | 117.3 | |||||
| 670 | S | 27.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -75 | 148.1 | 163.4 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 671 | Q | 29.5 | Very low | 28.2 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -153.5 | 149.5 | 153.5 | -86.9 | -131.1 | 29.4 | 0 | 0 | 112.9 | ||||
| 672 | H | 25.4 | Very low | 28 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | trans | -1.4 | 136.7 | 153.3 | -51.7 | 90.4 | 0 | 0 | 0 | 117.6 | ||||
| 673 | G | 25.6 | Very low | 27.8 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | 104.2 | 132.4 | 44.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 674 | Q | 28.5 | Very low | 28 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | 71.2 | 110.4 | 166.4 | -60 | -175.7 | 70.8 | 0 | 0 | 120.9 | ||||
| 675 | S | 26.2 | Very low | 28.2 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 78.6 | 155.4 | 121.9 | -153.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 676 | L | 28.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 59.2 | 140.4 | -175.7 | -57.7 | 100.7 | 0 | 0 | 0 | 116.2 | ||||
| 677 | G | 25.8 | Very low | 30 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 141.6 | 124.1 | -11.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 678 | M | 30.3 | Very low | 30.4 | Very low | 179 Ų | 179 | 123.7 Ų | 123.7 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 68 | 157.1 | 171.3 | -45 | -164.1 | 87.1 | 0 | 0 | 113.9 | ||||
| 679 | T | 29.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | cis | -161.7 | 146.5 | -8.4 | 4.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 680 | A | 27.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 125 Ų | 125 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | 59.4 | 163.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 681 | G | 27.3 | Very low | 30.5 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 171.1 | 137.1 | -14 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 682 | A | 30.9 | Very low | 31.1 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | trans | 50.1 | 122.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 683 | G | 27.7 | Very low | 31.5 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 139.3 | 147.4 | 114.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 684 | I | 33.8 | Very low | 32.5 | Very low | 184 Ų | 184 | 120.2 Ų | 120.2 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | 76.5 | 146.6 | 156.2 | -52 | 178.1 | 0 | 0 | 0 | 116.6 | ||||
| 685 | G | 29.5 | Very low | 33.4 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -122.4 | -145.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 686 | P | 56.6 | Low | 34.3 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -108.4 | 167.7 | -131.1 | 40.4 | -38.2 | 0 | 0 | 0 | 116 | ||||
| 687 | L | 31 | Very low | 35 | Very low | 154 Ų | 154 | 116 Ų | 116 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 178.3 | 117.5 | 138.9 | -97.8 | 162.5 | 0 | 0 | 0 | 115.3 | ||||
| 688 | T | 31.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 51.8 | 147.5 | 136.5 | 53.2 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 689 | S | 32.1 | Very low | 37.3 | Very low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 92.9 | 145.9 | 147.6 | 85 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 690 | Q | 33.1 | Very low | 38 | Very low | 192 Ų | 192 | 119.8 Ų | 119.8 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | cis | -157.9 | 126.4 | -0.1 | -142.7 | 173.9 | 17 | 0 | 0 | 115.5 | ||||
| 691 | G | 28.7 | Very low | 39 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 50.1 | -174.2 | 147 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 692 | P | 43.7 | Very low | 39.9 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | cis | -116.4 | 174 | -29.4 | 39.6 | -27 | 0 | 0 | 0 | 112.5 | ||||
| 693 | G | 34 | Very low | 40.7 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -127 | -179 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 694 | P | 44.8 | Very low | 41.8 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -112.7 | 91.1 | 174.9 | 36.4 | -23.5 | 0 | 0 | 0 | 112.3 | M696 | P694-M696 PolarHBondContact O-N 3.46Š| ||
| 695 | D | 48.5 | Very low | 42.6 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | trans | -84.3 | 76.4 | -177 | -149.6 | -7.1 | 0 | 0 | 0 | 111.8 | ||||
| 696 | M | 44.1 | Very low | 43.2 | Very low | 165 Ų | 165 | 124 Ų | 124 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -147.2 | 15.9 | -178.3 | -111.1 | -64.4 | -66 | 0 | 0 | 114.1 | P694 | P694-M696 PolarHBondContact O-N 3.46Š|
| 697 | A | 45.3 | Very low | 42.7 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -118 | -30.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 698 | L | 53.8 | Low | 43.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 60% | 0.597 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.6 | -30.9 | -168.8 | -60.9 | 175.8 | 0 | 0 | 0 | 113.8 | Y700 D701 E702 | L698-Y700 PolarHBondContact O-N 3.32Å; L698-D701 PolarHBondContact O-N 2.9Å; L698-D701 VanDerWaalsContact O-N 3.11Å; L698-E702 PolarHBondContact O-N 2.91Å |
| 699 | I | 50.6 | Low | 44.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -61.8 | -31 | -176.4 | -58.6 | 175.4 | 0 | 0 | 0 | 112 | ||
| 700 | Y | 44.1 | Very low | 45.5 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.9 | -23 | 179.5 | -135.3 | -88.3 | 0 | 0 | 0 | 113.3 | L698 L704 | L698-Y700 PolarHBondContact O-N 3.32Å; Y700-L704 HydrophobicContact CD1-CD1 4.23Å |
| 701 | D | 48.5 | Very low | 46.7 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 41% | 0.412 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -78.7 | -42.4 | 175.8 | -169.4 | 23.5 | 0 | 0 | 0 | 110.7 | L698 F703 L704 Q705 | L698-D701 PolarHBondContact O-N 2.9Å; L698-D701 VanDerWaalsContact O-N 3.11Å; D701-F703 VanDerWaalsContact C-N 3.33Å; D701-F703 PolarHBondContact O-N 3.27Å; D701-L704 PolarHBondContact O-N 3.28Å; D701-L704 VanDerWaalsContact O-N 3.1Å; D701-Q705 WeakPolarHBondContact O-CG 3.43Å; D701-Q705 PolarHBondContact O-N 3.38Å; D701-Q705 WeakPolarHBondContact OD1-CG 3.49Å; D701-Q705 PolarHBondContact OD1-NE2 2.89Å; D701-Q705 PolarHBondContact OD2-NE2 2.87Å |
| 702 | E | 46.2 | Very low | 48.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.2 | -45.3 | 178.4 | -174.1 | 172.9 | -160 | 0 | 0 | 112.4 | L698 L704 Q705 Q706 | L698-E702 PolarHBondContact O-N 2.91Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 2.94Å; E702-Q705 PolarHBondContact O-N 3.25Å; E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 2.93Å; E702-Q706 VanDerWaalsContact O-N 3.12Å |
| 703 | F | 47.3 | Very low | 49.9 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 68% | 0.684 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.9 | -30.3 | -179.3 | -155 | -92.7 | 0 | 0 | 0 | 113.2 | D701 | D701-F703 VanDerWaalsContact C-N 3.33Å; D701-F703 PolarHBondContact O-N 3.27Å |
| 704 | L | 50.8 | Low | 51.3 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 58% | 0.581 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.5 | -32.4 | 176.7 | -76.9 | 168.2 | 0 | 0 | 0 | 112.5 | Y700 D701 E702 | Y700-L704 HydrophobicContact CD1-CD1 4.23Å; D701-L704 PolarHBondContact O-N 3.28Å; D701-L704 VanDerWaalsContact O-N 3.1Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 2.94Å |
| 705 | Q | 49.9 | Very low | 52.9 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74 | -33.4 | 176.8 | -69.6 | -170.2 | 23.4 | 0 | 0 | 113.2 | D701 E702 H707 R708 | D701-Q705 WeakPolarHBondContact O-CG 3.43Å; D701-Q705 PolarHBondContact O-N 3.38Å; D701-Q705 WeakPolarHBondContact OD1-CG 3.49Å; D701-Q705 PolarHBondContact OD1-NE2 2.89Å; D701-Q705 PolarHBondContact OD2-NE2 2.87Å; E702-Q705 PolarHBondContact O-N 3.25Å; Q705-H707 PolarHBondContact O-N 2.79Å; Q705-H707 VanDerWaalsContact O-N 3.13Å; Q705-R708 PolarHBondContact O-N 3.45Å |
| 706 | Q | 43.7 | Very low | 54.4 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -54.3 | -33.7 | 175.1 | -72.7 | -76.8 | -3.6 | 0 | 0 | 112.7 | E702 | E702-Q706 VanDerWaalsContact O-CG 3.25Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 2.93Å; E702-Q706 VanDerWaalsContact O-N 3.12Å |
| 707 | H | 45 | Very low | 55.9 | Low | 159 Ų | 159 | 118.4 Ų | 118.4 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -1 | 178.2 | -78.2 | -77.9 | 0 | 0 | 0 | 115.1 | Q705 | Q705-H707 PolarHBondContact O-N 2.79Å; Q705-H707 VanDerWaalsContact O-N 3.13Å |
| 708 | R | 51.4 | Low | 57.5 | Low | 222 Ų | 222 | 118.2 Ų | 118.2 | 84% | 0.838 | 56% | 0.563 | S | S | * | * | trans | -115.2 | 32.2 | -176.6 | -102.8 | -177.3 | 173 | 174.2 | -1.5 | 115 | Q705 P710 | Q705-R708 PolarHBondContact O-N 3.45Å; R708-P710 WeakPolarHBondContact O-CD 3.27Å | ||
| 709 | K | 52.7 | Low | 58.8 | Low | 146 Ų | 146 | 119 Ų | 119 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | trans | -64.9 | 125.9 | 163.2 | -68.2 | 176.6 | -177.1 | 167.9 | 0 | 109.5 | V711 | K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.42Å | ||
| 710 | P | 50.3 | Low | 60.1 | Low | 100 Ų | 100 | 121.3 Ų | 121.3 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | trans | -76.7 | 79 | 178 | 30.9 | -34.7 | 0 | 0 | 0 | 111 | R261 R708 | R261-P710 PolarHBondContact NH2-O 2.85Å; R261-P710 VanDerWaalsContact NH2-O 3.08Å; R708-P710 WeakPolarHBondContact O-CD 3.27Å | ||
| 711 | V | 57 | Low | 61.5 | Low | 88 Ų | 88 | 117 Ų | 117 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | trans | -55 | 128.8 | 168.8 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | K709 D715 L716 | K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.42Å; V711-D715 HydrophobicContact CG1-CB 3.59Å; V711-L716 HydrophobicContact CG1-CB 4.33Å | ||
| 712 | S | 66.8 | Low | 62.8 | Low | 14 Ų | 14 | 120 Ų | 120 | 10% | 0.098 | 55% | 0.55 | C | S | . | * | trans | -64.2 | 153.4 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | D263 L714 D715 L716 | D263-S712 PolarHBondContact OD2-OG 2.89Å; S712-L714 PolarHBondContact O-N 2.83Å; S712-L714 PolarHBondContact OG-N 2.74Å; S712-D715 VanDerWaalsContact CB-OD2 3.27Å; S712-D715 WeakPolarHBondContact CB-OD2 3.35Å; S712-D715 PolarHBondContact N-OD2 2.99Å; S712-D715 WeakPolarHBondContact O-CB 3.41Å; S712-D715 PolarHBondContact O-N 2.86Å; S712-D715 VanDerWaalsContact O-N 3.17Å; S712-L716 PolarHBondContact O-N 3.46Å | ||
| 713 | K | 72.2 | Confident | 64.4 | Low | 189 Ų | 189 | 117.5 Ų | 117.5 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.2 | -37 | 166.6 | -74.9 | -174.4 | 176.9 | -179.8 | 0 | 110.5 | L716 E717 | K713-L716 PolarHBondContact O-N 3.14Å; K713-E717 WeakPolarHBondContact O-CB 3.5Å; K713-E717 PolarHBondContact O-N 2.92Å |
| 714 | L | 64.3 | Low | 65.6 | Low | 84 Ų | 84 | 112 Ų | 112 | 44% | 0.44 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.5 | -159 | 152.3 | 0 | 0 | 0 | 111.8 | S712 L716 E717 E718 | S712-L714 PolarHBondContact O-N 2.83Å; S712-L714 PolarHBondContact OG-N 2.74Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 3.06Å; L714-E717 PolarHBondContact O-N 3.4Å; L714-E718 WeakPolarHBondContact O-CB 3.27Å; L714-E718 PolarHBondContact O-N 3.49Å |
| 715 | D | 78.8 | Confident | 66.6 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 172.9 | -57.9 | -35 | 0 | 0 | 0 | 111.8 | V711 S712 E718 K719 | V711-D715 HydrophobicContact CG1-CB 3.59Å; S712-D715 VanDerWaalsContact CB-OD2 3.27Å; S712-D715 WeakPolarHBondContact CB-OD2 3.35Å; S712-D715 PolarHBondContact N-OD2 2.99Å; S712-D715 WeakPolarHBondContact O-CB 3.41Å; S712-D715 PolarHBondContact O-N 2.86Å; S712-D715 VanDerWaalsContact O-N 3.17Å; D715-E718 PolarHBondContact O-N 2.92Å; D715-K719 VanDerWaalsContact O-CB 3.22Å; D715-K719 WeakPolarHBondContact O-CB 3.28Å; D715-K719 PolarHBondContact O-N 3.42Å |
| 716 | L | 79.4 | Confident | 67.3 | Low | 109 Ų | 109 | 116.7 Ų | 116.7 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.9 | -38.6 | 179.7 | -165.3 | 71.8 | 0 | 0 | 0 | 111.5 | V711 S712 K713 L714 R720 | V711-L716 HydrophobicContact CG1-CB 4.33Å; S712-L716 PolarHBondContact O-N 3.46Å; K713-L716 PolarHBondContact O-N 3.14Å; L714-L716 VanDerWaalsContact C-N 3.35Å; L714-L716 PolarHBondContact O-N 3.06Å; L716-R720 WeakPolarHBondContact O-CB 3.35Å; L716-R720 PolarHBondContact O-N 3.27Å |
| 717 | E | 76.3 | Confident | 68.7 | Low | 96 Ų | 96 | 117.5 Ų | 117.5 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 172 | -167.1 | 84.5 | -105.1 | 0 | 0 | 111.1 | K713 L714 R720 R721 | K713-E717 WeakPolarHBondContact O-CB 3.5Å; K713-E717 PolarHBondContact O-N 2.92Å; L714-E717 PolarHBondContact O-N 3.4Å; E717-R720 PolarHBondContact O-N 3.15Å; E717-R721 VanDerWaalsContact CG-NH2 3.32Å; E717-R721 VanDerWaalsContact O-CB 3.26Å; E717-R721 WeakPolarHBondContact O-CB 3.37Å; E717-R721 PolarHBondContact O-N 2.91Å |
| 718 | E | 78.4 | Confident | 69.2 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 33% | 0.332 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 177.9 | -151.8 | -111.1 | 124.4 | 0 | 0 | 111.4 | L714 D715 R721 R722 | L714-E718 WeakPolarHBondContact O-CB 3.27Å; L714-E718 PolarHBondContact O-N 3.49Å; D715-E718 PolarHBondContact O-N 2.92Å; E718-R721 PolarHBondContact O-N 3.35Å; E718-R722 VanDerWaalsContact O-CB 3.31Å; E718-R722 WeakPolarHBondContact O-CB 3.2Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-CZ 3.45Å; E718-R722 IonicContact OE1-NE 3.73Å; E718-R722 PolarHBondContact OE1-NE 2.91Å; E718-R722 IonicContact OE1-NH2 2.72Å; E718-R722 PolarHBondContact OE1-NH2 3.26Å; E718-R722 IonicContact OE2-CZ 3.96Å; E718-R722 IonicContact OE2-NH2 2.82Å; E718-R722 PolarHBondContact OE2-NH2 2.93Å |
| 719 | K | 81.4 | Confident | 69.1 | Low | 130 Ų | 130 | 111 Ų | 111 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -47.7 | 170.2 | -175.1 | 179.6 | 177.8 | -175.9 | 0 | 111.7 | D715 R721 R722 E723 | D715-K719 VanDerWaalsContact O-CB 3.22Å; D715-K719 WeakPolarHBondContact O-CB 3.28Å; D715-K719 PolarHBondContact O-N 3.42Å; K719-R721 VanDerWaalsContact C-N 3.31Å; K719-R721 PolarHBondContact O-N 3.4Å; K719-R722 WeakPolarHBondContact O-CB 3.42Å; K719-R722 PolarHBondContact O-N 2.94Å; K719-E723 VanDerWaalsContact O-CB 3.3Å; K719-E723 WeakPolarHBondContact O-CB 3.29Å; K719-E723 PolarHBondContact O-N 3.19Å |
| 720 | R | 78.6 | Confident | 68.5 | Low | 176 Ų | 176 | 111.7 Ų | 111.7 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -41.3 | 174.8 | 174.9 | -175.4 | -99.5 | -170.4 | -7.8 | 111.5 | L716 E717 E723 A724 | L716-R720 WeakPolarHBondContact O-CB 3.35Å; L716-R720 PolarHBondContact O-N 3.27Å; E717-R720 PolarHBondContact O-N 3.15Å; R720-E723 PolarHBondContact O-N 2.97Å; R720-A724 WeakPolarHBondContact O-CB 3.41Å; R720-A724 PolarHBondContact O-N 3.27Å |
| 721 | R | 73.4 | Confident | 68.4 | Low | 104 Ų | 104 | 116.5 Ų | 116.5 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -32.9 | 177.4 | -167.9 | -176 | -62.8 | 112.1 | 0.8 | 112.5 | E717 E718 K719 R725 | E717-R721 VanDerWaalsContact CG-NH2 3.32Å; E717-R721 VanDerWaalsContact O-CB 3.26Å; E717-R721 WeakPolarHBondContact O-CB 3.37Å; E717-R721 PolarHBondContact O-N 2.91Å; E718-R721 PolarHBondContact O-N 3.35Å; K719-R721 VanDerWaalsContact C-N 3.31Å; K719-R721 PolarHBondContact O-N 3.4Å; R721-R725 WeakPolarHBondContact O-CG 3.32Å; R721-R725 PolarHBondContact O-N 3Å |
| 722 | R | 75.8 | Confident | 67.8 | Low | 140 Ų | 140 | 120.3 Ų | 120.3 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 172.9 | -161.8 | 179.5 | -60.4 | 167.6 | 0.2 | 110.8 | E718 K719 A724 R725 E726 | E718-R722 VanDerWaalsContact O-CB 3.31Å; E718-R722 WeakPolarHBondContact O-CB 3.2Å; E718-R722 PolarHBondContact O-N 3.45Å; E718-R722 IonicContact OE1-CZ 3.45Å; E718-R722 IonicContact OE1-NE 3.73Å; E718-R722 PolarHBondContact OE1-NE 2.91Å; E718-R722 IonicContact OE1-NH2 2.72Å; E718-R722 PolarHBondContact OE1-NH2 3.26Å; E718-R722 IonicContact OE2-CZ 3.96Å; E718-R722 IonicContact OE2-NH2 2.82Å; E718-R722 PolarHBondContact OE2-NH2 2.93Å; K719-R722 WeakPolarHBondContact O-CB 3.42Å; K719-R722 PolarHBondContact O-N 2.94Å; R722-A724 VanDerWaalsContact C-N 3.34Å; R722-A724 PolarHBondContact O-N 3.21Å; R722-R725 WeakPolarHBondContact O-CB 3.46Å; R722-R725 PolarHBondContact O-N 3.37Å; R722-E726 WeakPolarHBondContact O-CB 3.32Å; R722-E726 PolarHBondContact O-N 3.34Å |
| 723 | E | 78.6 | Confident | 66.6 | Low | 74 Ų | 74 | 126.1 Ų | 126.1 | 35% | 0.346 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -35.2 | 175.8 | -172 | 179.8 | 166.4 | 0 | 0 | 112.5 | K719 R720 E726 K727 | K719-E723 VanDerWaalsContact O-CB 3.3Å; K719-E723 WeakPolarHBondContact O-CB 3.29Å; K719-E723 PolarHBondContact O-N 3.19Å; R720-E723 PolarHBondContact O-N 2.97Å; E723-E726 PolarHBondContact O-N 3.24Å; E723-K727 HydrophobicContact CG-CD 3.99Å; E723-K727 HydrophobicContact CG-CG 4.48Å; E723-K727 VanDerWaalsContact O-CB 3.28Å; E723-K727 WeakPolarHBondContact O-CB 3.27Å; E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.31Å; E723-K727 PolarHBondContact O-N 3Å; E723-K727 WeakPolarHBondContact OE1-CE 3.29Å; E723-K727 IonicContact OE1-NZ 2.69Å; E723-K727 PolarHBondContact OE1-NZ 3.2Å |
| 724 | A | 73.2 | Confident | 65.2 | Low | 41 Ų | 41 | 123.6 Ų | 123.6 | 34% | 0.339 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R720 R722 G728 Y729 | R720-A724 WeakPolarHBondContact O-CB 3.41Å; R720-A724 PolarHBondContact O-N 3.27Å; R722-A724 VanDerWaalsContact C-N 3.34Å; R722-A724 PolarHBondContact O-N 3.21Å; A724-G728 PolarHBondContact O-N 3.37Å; A724-Y729 PolarHBondContact O-N 3.29Å |
| 725 | R | 71.4 | Confident | 64.5 | Low | 162 Ų | 162 | 127.8 Ų | 127.8 | 61% | 0.611 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.7 | -43.1 | 173 | -68.7 | 167.9 | 178.5 | 144.7 | -4.6 | 111.5 | R721 R722 G728 | R721-R725 WeakPolarHBondContact O-CG 3.32Å; R721-R725 PolarHBondContact O-N 3Å; R722-R725 WeakPolarHBondContact O-CB 3.46Å; R722-R725 PolarHBondContact O-N 3.37Å; R725-G728 PolarHBondContact O-N 2.94Å |
| 726 | E | 65.7 | Low | 63.2 | Low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -34.6 | 178.8 | -173 | 173.5 | -167 | 0 | 0 | 112.7 | R722 E723 G728 | R722-E726 WeakPolarHBondContact O-CB 3.32Å; R722-E726 PolarHBondContact O-N 3.34Å; E723-E726 PolarHBondContact O-N 3.24Å; E726-G728 VanDerWaalsContact C-N 3.31Å; E726-G728 PolarHBondContact O-N 3.17Å |
| 727 | K | 71.3 | Confident | 61.6 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 3.7 | 175.9 | -70.8 | 178 | 173.1 | 174.6 | 0 | 114.5 | E723 Y729 | E723-K727 HydrophobicContact CG-CD 3.99Å; E723-K727 HydrophobicContact CG-CG 4.48Å; E723-K727 VanDerWaalsContact O-CB 3.28Å; E723-K727 WeakPolarHBondContact O-CB 3.27Å; E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.31Å; E723-K727 PolarHBondContact O-N 3Å; E723-K727 WeakPolarHBondContact OE1-CE 3.29Å; E723-K727 IonicContact OE1-NZ 2.69Å; E723-K727 PolarHBondContact OE1-NZ 3.2Å; K727-Y729 HydrophobicContact CB-CD2 3.85Å; K727-Y729 HydrophobicContact CB-CE2 4.31Å; K727-Y729 WeakPolarHBondContact O-CD2 3.27Å; K727-Y729 PolarHBondContact O-N 2.94Å |
| 728 | G | 56 | Low | 60.5 | Low | 58 Ų | 58 | 132.9 Ų | 132.9 | 60% | 0.598 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.9 | 13.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A724 R725 E726 Y730 | A724-G728 PolarHBondContact O-N 3.37Å; R725-G728 PolarHBondContact O-N 2.94Å; E726-G728 VanDerWaalsContact C-N 3.31Å; E726-G728 PolarHBondContact O-N 3.17Å; G728-Y730 PolarHBondContact O-N 3.13Å |
| 729 | Y | 49 | Very low | 59.4 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 73% | 0.725 | 64% | 0.635 | S | S | * | * | trans | -81.1 | 40.3 | 172.9 | -74.5 | -89.3 | 0 | 0 | 0 | 111.7 | A724 K727 Y731 | A724-Y729 PolarHBondContact O-N 3.29Å; K727-Y729 HydrophobicContact CB-CD2 3.85Å; K727-Y729 HydrophobicContact CB-CE2 4.31Å; K727-Y729 WeakPolarHBondContact O-CD2 3.27Å; K727-Y729 PolarHBondContact O-N 2.94Å; Y729-Y731 PolarHBondContact O-N 3.21Å | ||
| 730 | Y | 40.3 | Very low | 58.4 | Low | 162 Ų | 162 | 134.2 Ų | 134.2 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | trans | -84.9 | 98.3 | 159.7 | -169.7 | -114.4 | 0 | 0 | 0 | 106.2 | G728 E732 L733 | G728-Y730 PolarHBondContact O-N 3.13Å; Y730-E732 PolarHBondContact O-N 3.35Å; Y730-L733 HydrophobicContact CE2-CD1 4.37Å; Y730-L733 WeakPolarHBondContact OH-CD1 3.38Å | ||
| 731 | Y | 47.9 | Very low | 57.9 | Low | 201 Ų | 201 | 130.2 Ų | 130.2 | 79% | 0.788 | 62% | 0.623 | S | S | * | * | trans | -54.2 | 125.8 | 153 | -89.1 | -102.2 | 0 | 0 | 0 | 106.2 | Y729 | Y729-Y731 PolarHBondContact O-N 3.21Š| ||
| 732 | E | 44.2 | Very low | 57.9 | Low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -56.7 | 147.1 | 161.6 | -58.9 | -166.2 | 141.9 | 0 | 0 | 107.5 | Y730 D734 | Y730-E732 PolarHBondContact O-N 3.35Å; E732-D734 VanDerWaalsContact C-N 3.33Å; E732-D734 PolarHBondContact O-N 2.76Å | ||
| 733 | L | 43.3 | Very low | 58 | Low | 136 Ų | 136 | 127.4 Ų | 127.4 | 71% | 0.712 | 62% | 0.62 | S | S | * | * | trans | -68.5 | 99.2 | 176.1 | -87.9 | 70.1 | 0 | 0 | 0 | 107.4 | Y730 D735 | Y730-L733 HydrophobicContact CE2-CD1 4.37Å; Y730-L733 WeakPolarHBondContact OH-CD1 3.38Å; L733-D735 PolarHBondContact O-N 3.09Å | ||
| 734 | D | 42.3 | Very low | 58.1 | Low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -58.7 | 131.8 | 169.4 | -136.2 | -22.3 | 0 | 0 | 0 | 108 | E732 S736 | E732-D734 VanDerWaalsContact C-N 3.33Å; E732-D734 PolarHBondContact O-N 2.76Å; D734-S736 PolarHBondContact O-N 2.92Å | ||
| 735 | D | 48.8 | Very low | 58.6 | Low | 172 Ų | 172 | 131.7 Ų | 131.7 | 92% | 0.92 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -75.5 | 49 | -172.6 | -80.2 | -46.8 | 0 | 0 | 0 | 112 | L733 | L733-D735 PolarHBondContact O-N 3.09Š|
| 736 | S | 51 | Low | 59.1 | Low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 63% | 0.63 | S | S | * | * | trans | -140.1 | 33.6 | -174.8 | 81.5 | 0 | 0 | 0 | 0 | 113.9 | D734 D738 | D734-S736 PolarHBondContact O-N 2.92Å; S736-D738 PolarHBondContact O-N 3.08Å | ||
| 737 | Y | 45.8 | Very low | 59.9 | Low | 190 Ų | 190 | 122.8 Ų | 122.8 | 75% | 0.745 | 61% | 0.605 | S | S | * | * | trans | -81.2 | 103.1 | 164.1 | -145 | -86.5 | 0 | 0 | 0 | 108.3 | ||||
| 738 | D | 53.5 | Low | 60.5 | Low | 100 Ų | 100 | 121.6 Ų | 121.6 | 54% | 0.535 | 60% | 0.601 | S | S | . | * | trans | -70.3 | 128.3 | -173.6 | -166.8 | -24.7 | 0 | 0 | 0 | 111.1 | S736 S740 D741 | S736-D738 PolarHBondContact O-N 3.08Å; D738-S740 PolarHBondContact O-N 2.74Å; D738-S740 VanDerWaalsContact O-N 3.1Å; D738-S740 WeakPolarHBondContact OD1-CB 3.36Å; D738-S740 PolarHBondContact OD1-N 2.76Å; D738-D741 PolarHBondContact O-N 3.42Å | ||
| 739 | E | 56.6 | Low | 62 | Low | 160 Ų | 160 | 124 Ų | 124 | 75% | 0.748 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.2 | -21.3 | 174.8 | -63.5 | -169.9 | 142.2 | 0 | 0 | 112.3 | D741 E742 E743 | E739-D741 VanDerWaalsContact C-N 3.32Å; E739-D741 PolarHBondContact O-N 3.28Å; E739-E742 PolarHBondContact O-N 3.04Å; E739-E743 PolarHBondContact O-N 2.95Å |
| 740 | S | 59.9 | Low | 63.6 | Low | 69 Ų | 69 | 121 Ų | 121 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.3 | -39 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 112.8 | D738 E743 E744 | D738-S740 PolarHBondContact O-N 2.74Å; D738-S740 VanDerWaalsContact O-N 3.1Å; D738-S740 WeakPolarHBondContact OD1-CB 3.36Å; D738-S740 PolarHBondContact OD1-N 2.76Å; S740-E743 PolarHBondContact O-N 2.75Å; S740-E744 PolarHBondContact O-N 2.97Å |
| 741 | D | 67.4 | Low | 65.6 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.8 | -37.1 | -179.9 | -81.8 | 5.6 | 0 | 0 | 0 | 110.8 | D738 E739 V745 | D738-D741 PolarHBondContact O-N 3.42Å; E739-D741 VanDerWaalsContact C-N 3.32Å; E739-D741 PolarHBondContact O-N 3.28Å; D741-V745 WeakPolarHBondContact O-CB 3.41Å; D741-V745 VanDerWaalsContact O-CG2 3.26Å; D741-V745 WeakPolarHBondContact O-CG2 3.47Å; D741-V745 PolarHBondContact O-N 3Å |
| 742 | E | 74.9 | Confident | 67.1 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -40 | 170.6 | -74.4 | -154.3 | -168.6 | 0 | 0 | 112.1 | E739 V745 R746 | E739-E742 PolarHBondContact O-N 3.04Å; E742-V745 PolarHBondContact O-N 3.06Å; E742-R746 WeakPolarHBondContact O-CB 3.35Å; E742-R746 WeakPolarHBondContact O-CD 3.24Å; E742-R746 WeakPolarHBondContact O-CG 3.29Å; E742-R746 PolarHBondContact O-N 3.19Å; E742-R746 IonicContact OE2-CZ 2.75Å; E742-R746 IonicContact OE2-NE 3.31Å; E742-R746 IonicContact OE2-NH2 3.46Å; E742-R746 PolarHBondContact OE2-NH2 3.08Å |
| 743 | E | 77.4 | Confident | 68.5 | Low | 85 Ų | 85 | 109 Ų | 109 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.7 | -36.5 | 178.2 | -168.1 | 57.7 | -149.5 | 0 | 0 | 112.2 | E739 S740 R746 A747 R750 | E739-E743 PolarHBondContact O-N 2.95Å; S740-E743 PolarHBondContact O-N 2.75Å; E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 WeakPolarHBondContact OE2-CD 3.33Å; E743-R746 IonicContact OE2-CZ 3.71Å; E743-R746 IonicContact OE2-NH1 3.99Å; E743-R746 PolarHBondContact OE2-NH1 3.48Å; E743-A747 VanDerWaalsContact O-CB 3.24Å; E743-A747 WeakPolarHBondContact O-CB 3.34Å; E743-A747 PolarHBondContact O-N 3.44Å; E743-R750 IonicContact OE1-CZ 3.18Å; E743-R750 IonicContact OE1-NH2 2.72Å; E743-R750 PolarHBondContact OE1-NH2 3.41Å |
| 744 | E | 79.9 | Confident | 70.1 | Confident | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -43.1 | 169.9 | 174.6 | 145.3 | -143.6 | 0 | 0 | 111.5 | S740 R746 A747 H748 R751 | S740-E744 PolarHBondContact O-N 2.97Å; E744-R746 PolarHBondContact O-N 3.42Å; E744-A747 CarbonylContact O-C 3.03Å; E744-A747 PolarHBondContact O-N 3.49Å; E744-A747 VanDerWaalsContact O-N 3.11Å; E744-H748 WeakPolarHBondContact O-CB 3.34Å; E744-H748 PolarHBondContact O-N 2.85Å; E744-R751 IonicContact OE1-NH2 2.8Å; E744-R751 PolarHBondContact OE1-NH2 2.8Å |
| 745 | V | 83.2 | Confident | 71.6 | Confident | 87 Ų | 87 | 108.7 Ų | 108.7 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.4 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | D741 E742 A747 H748 L749 | D741-V745 WeakPolarHBondContact O-CB 3.41Å; D741-V745 VanDerWaalsContact O-CG2 3.26Å; D741-V745 WeakPolarHBondContact O-CG2 3.47Å; D741-V745 PolarHBondContact O-N 3Å; E742-V745 PolarHBondContact O-N 3.06Å; V745-A747 VanDerWaalsContact C-N 3.34Å; V745-A747 PolarHBondContact O-N 2.82Å; V745-H748 PolarHBondContact O-N 3.06Å; V745-L749 HydrophobicContact CG1-CD1 3.93Å; V745-L749 HydrophobicContact CG1-CG 4.47Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.22Å; V745-L749 PolarHBondContact O-N 3.05Å |
| 746 | R | 83 | Confident | 72.7 | Confident | 108 Ų | 108 | 106 Ų | 106 | 41% | 0.408 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 172 | -68.3 | 166.4 | -150.8 | 152 | -0.6 | 112 | E742 E743 E744 R750 | E742-R746 WeakPolarHBondContact O-CB 3.35Å; E742-R746 WeakPolarHBondContact O-CD 3.24Å; E742-R746 WeakPolarHBondContact O-CG 3.29Å; E742-R746 PolarHBondContact O-N 3.19Å; E742-R746 IonicContact OE2-CZ 2.75Å; E742-R746 IonicContact OE2-NE 3.31Å; E742-R746 IonicContact OE2-NH2 3.46Å; E742-R746 PolarHBondContact OE2-NH2 3.08Å; E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 WeakPolarHBondContact OE2-CD 3.33Å; E743-R746 IonicContact OE2-CZ 3.71Å; E743-R746 IonicContact OE2-NH1 3.99Å; E743-R746 PolarHBondContact OE2-NH1 3.48Å; E744-R746 PolarHBondContact O-N 3.42Å; R746-R750 WeakPolarHBondContact O-CB 3.35Å; R746-R750 WeakPolarHBondContact O-CG 3.45Å; R746-R750 PolarHBondContact O-N 2.95Å; R746-R750 PolarHBondContact O-NE 3.11Å |
| 747 | A | 81.3 | Confident | 73.5 | Confident | 30 Ų | 30 | 107.3 Ų | 107.3 | 25% | 0.248 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -74.9 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E743 E744 V745 R751 | E743-A747 VanDerWaalsContact O-CB 3.24Å; E743-A747 WeakPolarHBondContact O-CB 3.34Å; E743-A747 PolarHBondContact O-N 3.44Å; E744-A747 CarbonylContact O-C 3.03Å; E744-A747 PolarHBondContact O-N 3.49Å; E744-A747 VanDerWaalsContact O-N 3.11Å; V745-A747 VanDerWaalsContact C-N 3.34Å; V745-A747 PolarHBondContact O-N 2.82Å; A747-R751 WeakPolarHBondContact O-CB 3.48Å; A747-R751 VanDerWaalsContact O-CG 3.25Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.36Å; A747-R751 VanDerWaalsContact O-N 3.08Å; A747-R751 PolarHBondContact O-NE 2.92Å |
| 748 | H | 84.8 | Confident | 74.7 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.6 | -48.1 | 171.3 | -173.8 | 90.4 | 0 | 0 | 0 | 110.6 | E744 V745 R750 R751 V752 | E744-H748 WeakPolarHBondContact O-CB 3.34Å; E744-H748 PolarHBondContact O-N 2.85Å; V745-H748 PolarHBondContact O-N 3.06Å; H748-R750 VanDerWaalsContact C-N 3.3Å; H748-R750 PolarHBondContact O-N 3.33Å; H748-R751 CarbonylContact O-C 3.14Å; H748-R751 WeakPolarHBondContact O-CA 3.39Å; H748-R751 WeakPolarHBondContact O-CB 3.44Å; H748-R751 PolarHBondContact O-N 2.8Å; H748-R751 VanDerWaalsContact O-N 3.07Å; H748-V752 WeakPolarHBondContact O-CG2 3.48Å; H748-V752 PolarHBondContact O-N 2.75Å |
| 749 | L | 87.4 | Confident | 75.5 | Confident | 108 Ų | 108 | 111.5 Ų | 111.5 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.1 | -38.9 | 174.8 | -74.9 | 166.7 | 0 | 0 | 0 | 112.1 | V745 V752 A753 | V745-L749 HydrophobicContact CG1-CD1 3.93Å; V745-L749 HydrophobicContact CG1-CG 4.47Å; V745-L749 WeakPolarHBondContact O-CB 3.37Å; V745-L749 WeakPolarHBondContact O-CG 3.22Å; V745-L749 PolarHBondContact O-N 3.05Å; L749-V752 PolarHBondContact O-N 3.24Å; L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.07Å |
| 750 | R | 82.6 | Confident | 76.1 | Confident | 122 Ų | 122 | 108.6 Ų | 108.6 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.9 | -52.9 | 168.5 | -81.9 | -179.1 | -77.3 | 173.3 | -8.2 | 111.9 | E743 R746 H748 V752 A753 E754 | E743-R750 IonicContact OE1-CZ 3.18Å; E743-R750 IonicContact OE1-NH2 2.72Å; E743-R750 PolarHBondContact OE1-NH2 3.41Å; R746-R750 WeakPolarHBondContact O-CB 3.35Å; R746-R750 WeakPolarHBondContact O-CG 3.45Å; R746-R750 PolarHBondContact O-N 2.95Å; R746-R750 PolarHBondContact O-NE 3.11Å; H748-R750 VanDerWaalsContact C-N 3.3Å; H748-R750 PolarHBondContact O-N 3.33Å; R750-V752 PolarHBondContact O-N 3.17Å; R750-V752 VanDerWaalsContact O-N 3.17Å; R750-A753 PolarHBondContact O-N 3.06Å; R750-A753 VanDerWaalsContact O-N 3.14Å; R750-E754 VanDerWaalsContact O-CB 3.29Å; R750-E754 WeakPolarHBondContact O-CB 3.46Å; R750-E754 VanDerWaalsContact O-CG 3.27Å; R750-E754 WeakPolarHBondContact O-CG 3.3Å; R750-E754 PolarHBondContact O-N 2.81Å |
| 751 | R | 81.8 | Confident | 76.7 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 48% | 0.475 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.6 | -28.5 | 176.4 | -76.5 | 175.5 | -72.9 | 171.3 | -4.9 | 113.9 | E744 A747 H748 Q755 | E744-R751 IonicContact OE1-NH2 2.8Å; E744-R751 PolarHBondContact OE1-NH2 2.8Å; A747-R751 WeakPolarHBondContact O-CB 3.48Å; A747-R751 VanDerWaalsContact O-CG 3.25Å; A747-R751 WeakPolarHBondContact O-CG 3.4Å; A747-R751 PolarHBondContact O-N 3.36Å; A747-R751 VanDerWaalsContact O-N 3.08Å; A747-R751 PolarHBondContact O-NE 2.92Å; H748-R751 CarbonylContact O-C 3.14Å; H748-R751 WeakPolarHBondContact O-CA 3.39Å; H748-R751 WeakPolarHBondContact O-CB 3.44Å; H748-R751 PolarHBondContact O-N 2.8Å; H748-R751 VanDerWaalsContact O-N 3.07Å; R751-Q755 WeakPolarHBondContact O-CG 3.39Å |
| 752 | V | 79.3 | Confident | 77.1 | Confident | 65 Ų | 65 | 109.3 Ų | 109.3 | 39% | 0.394 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -80.7 | -42.9 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | H748 L749 R750 E754 Q755 | H748-V752 WeakPolarHBondContact O-CG2 3.48Å; H748-V752 PolarHBondContact O-N 2.75Å; L749-V752 PolarHBondContact O-N 3.24Å; R750-V752 PolarHBondContact O-N 3.17Å; R750-V752 VanDerWaalsContact O-N 3.17Å; V752-E754 VanDerWaalsContact C-N 3.28Å; V752-E754 PolarHBondContact O-N 2.96Å; V752-Q755 WeakPolarHBondContact O-CB 3.1Å; V752-Q755 WeakPolarHBondContact O-CG 3.46Å; V752-Q755 PolarHBondContact O-N 3.36Å |
| 753 | A | 75.3 | Confident | 77.6 | Confident | 87 Ų | 87 | 106.6 Ų | 106.6 | 72% | 0.719 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.3 | -22.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L749 R750 Q755 | L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.07Å; R750-A753 PolarHBondContact O-N 3.06Å; R750-A753 VanDerWaalsContact O-N 3.14Å; A753-Q755 VanDerWaalsContact C-N 3.33Å |
| 754 | E | 76.2 | Confident | 77.7 | Confident | 147 Ų | 147 | 107.5 Ų | 107.5 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -4.6 | 172.3 | -72.6 | 169.1 | -164.9 | 0 | 0 | 113.2 | R750 V752 | R750-E754 VanDerWaalsContact O-CB 3.29Å; R750-E754 WeakPolarHBondContact O-CB 3.46Å; R750-E754 VanDerWaalsContact O-CG 3.27Å; R750-E754 WeakPolarHBondContact O-CG 3.3Å; R750-E754 PolarHBondContact O-N 2.81Å; V752-E754 VanDerWaalsContact C-N 3.28Å; V752-E754 PolarHBondContact O-N 2.96Å |
| 755 | Q | 74.2 | Confident | 78 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -62.9 | 144 | 169.3 | -65.3 | -175.6 | 20.3 | 0 | 0 | 109.8 | R751 V752 A753 | R751-Q755 WeakPolarHBondContact O-CG 3.39Å; V752-Q755 WeakPolarHBondContact O-CB 3.1Å; V752-Q755 WeakPolarHBondContact O-CG 3.46Å; V752-Q755 PolarHBondContact O-N 3.36Å; A753-Q755 VanDerWaalsContact C-N 3.33Å |
| 756 | P | 71.9 | Confident | 78 | Confident | 115 Ų | 115 | 108.6 Ų | 108.6 | 75% | 0.747 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 126.7 | 171.5 | -23.9 | 33.7 | 0 | 0 | 0 | 109 | L758 | P756-L758 PolarHBondContact O-N 3.47Å; P756-L758 VanDerWaalsContact O-N 3.14Å |
| 757 | P | 67.3 | Low | 78.2 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 80% | 0.799 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 127 | -177.3 | 22 | -32.6 | 0 | 0 | 0 | 108.8 | K759 | P757-K759 PolarHBondContact O-N 3.03Å; P757-K759 VanDerWaalsContact O-N 3.15Å |
| 758 | L | 70.3 | Confident | 78.4 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 90% | 0.895 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 125.3 | 173.7 | -75.2 | 165.1 | 0 | 0 | 0 | 107.8 | P756 L760 | P756-L758 PolarHBondContact O-N 3.47Å; P756-L758 VanDerWaalsContact O-N 3.14Å; L758-L760 PolarHBondContact O-N 3.46Å |
| 759 | K | 70.2 | Confident | 78.6 | Confident | 206 Ų | 206 | 109.6 Ų | 109.6 | 90% | 0.896 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 117.9 | -179.7 | -76.1 | -170.5 | 175.3 | -172.6 | 0 | 107.6 | P757 D761 | P757-K759 PolarHBondContact O-N 3.03Å; P757-K759 VanDerWaalsContact O-N 3.15Å; K759-D761 PolarHBondContact O-N 3.3Å; K759-D761 VanDerWaalsContact O-N 3.11Å |
| 760 | L | 70.1 | Confident | 78.7 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 121.4 | 174 | -168.7 | 66.7 | 0 | 0 | 0 | 105.8 | L758 D762 T777 | L758-L760 PolarHBondContact O-N 3.46Å; L760-D762 PolarHBondContact O-N 3.49Å; L760-T777 HydrophobicContact CD2-CG2 3.53Å |
| 761 | D | 72.8 | Confident | 78.9 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | trans | -64.2 | 107.6 | 169.6 | 160.9 | 52.6 | 0 | 0 | 0 | 107.4 | K759 S763 K766 | K759-D761 PolarHBondContact O-N 3.3Å; K759-D761 VanDerWaalsContact O-N 3.11Å; D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 VanDerWaalsContact CG-OG 3.27Å; D761-S763 WeakPolarHBondContact OD1-CB 3.48Å; D761-S763 PolarHBondContact OD1-N 2.93Å; D761-S763 PolarHBondContact OD1-OG 3.02Å; D761-S763 PolarHBondContact OD2-OG 3.44Å; D761-K766 WeakPolarHBondContact O-CD 3.45Å; D761-K766 WeakPolarHBondContact O-CE 3.31Å; D761-K766 PolarHBondContact O-NZ 3.28Å; D761-K766 VanDerWaalsContact OD2-CD 3.25Å; D761-K766 WeakPolarHBondContact OD2-CD 3.21Å; D761-K766 IonicContact OD2-NZ 2.74Å; D761-K766 PolarHBondContact OD2-NZ 3.1Å | ||
| 762 | D | 76.2 | Confident | 79.4 | Confident | 88 Ų | 88 | 104.9 Ų | 104.9 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | trans | -97.4 | 32.5 | 179.6 | -71.4 | -46 | 0 | 0 | 0 | 110.3 | L760 L767 | L760-D762 PolarHBondContact O-N 3.49Å; D762-L767 HydrophobicContact CB-CD1 4.3Å; D762-L767 VanDerWaalsContact O-CD1 3.3Å; D762-L767 WeakPolarHBondContact O-CD1 3.29Å | ||
| 763 | S | 83.7 | Confident | 79.9 | Confident | 43 Ų | 43 | 109.1 Ų | 109.1 | 30% | 0.301 | 57% | 0.568 | S | S | . | * | trans | -52.6 | 138.4 | 172.1 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | D761 E765 K766 L767 | D761-S763 VanDerWaalsContact C-N 3.27Å; D761-S763 VanDerWaalsContact CG-OG 3.27Å; D761-S763 WeakPolarHBondContact OD1-CB 3.48Å; D761-S763 PolarHBondContact OD1-N 2.93Å; D761-S763 PolarHBondContact OD1-OG 3.02Å; D761-S763 PolarHBondContact OD2-OG 3.44Å; S763-E765 PolarHBondContact O-N 3.06Å; S763-K766 PolarHBondContact O-N 3.28Å; S763-K766 VanDerWaalsContact O-N 3.08Å; S763-K766 WeakPolarHBondContact OG-CB 3.23Å; S763-L767 WeakPolarHBondContact O-CG 3.45Å; S763-L767 PolarHBondContact O-N 2.94Å | ||
| 764 | T | 81.3 | Confident | 80.5 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 64% | 0.638 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.8 | -47.7 | -174.6 | 45.1 | 0 | 0 | 0 | 0 | 112 | K766 L767 E768 | T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.11Å; T764-L767 CarbonylContact O-C 3.46Å; T764-L767 PolarHBondContact O-N 3.33Å; T764-L767 VanDerWaalsContact O-N 3.1Å; T764-E768 WeakPolarHBondContact O-CB 3.33Å; T764-E768 WeakPolarHBondContact O-CG 3.44Å; T764-E768 PolarHBondContact O-N 2.99Å |
| 765 | E | 84.4 | Confident | 81.2 | Confident | 156 Ų | 156 | 108.4 Ų | 108.4 | 73% | 0.729 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -51.8 | -41.8 | 175 | -177.6 | -178.4 | -169.7 | 0 | 0 | 112.6 | S763 F769 | S763-E765 PolarHBondContact O-N 3.06Å; E765-F769 VanDerWaalsContact O-CB 3.26Å; E765-F769 WeakPolarHBondContact O-CB 3.35Å; E765-F769 PolarHBondContact O-N 2.59Å |
| 766 | K | 85.1 | Confident | 81.9 | Confident | 72 Ų | 72 | 105.7 Ų | 105.7 | 31% | 0.313 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77 | -34.8 | 179.9 | -177.2 | 178.8 | 164.8 | -159.8 | 0 | 112.7 | D761 S763 T764 L770 | D761-K766 WeakPolarHBondContact O-CD 3.45Å; D761-K766 WeakPolarHBondContact O-CE 3.31Å; D761-K766 PolarHBondContact O-NZ 3.28Å; D761-K766 VanDerWaalsContact OD2-CD 3.25Å; D761-K766 WeakPolarHBondContact OD2-CD 3.21Å; D761-K766 IonicContact OD2-NZ 2.74Å; D761-K766 PolarHBondContact OD2-NZ 3.1Å; S763-K766 PolarHBondContact O-N 3.28Å; S763-K766 VanDerWaalsContact O-N 3.08Å; S763-K766 WeakPolarHBondContact OG-CB 3.23Å; T764-K766 VanDerWaalsContact C-N 3.25Å; T764-K766 PolarHBondContact O-N 3.11Å; K766-L770 WeakPolarHBondContact O-CB 3.3Å; K766-L770 VanDerWaalsContact O-CG 3.28Å; K766-L770 WeakPolarHBondContact O-CG 3.2Å; K766-L770 PolarHBondContact O-N 3Å |
| 767 | L | 86.1 | Confident | 82.6 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 16% | 0.157 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 171.8 | -67 | 179.3 | 0 | 0 | 0 | 111.4 | D762 S763 T764 T771 T777 | D762-L767 HydrophobicContact CB-CD1 4.3Å; D762-L767 VanDerWaalsContact O-CD1 3.3Å; D762-L767 WeakPolarHBondContact O-CD1 3.29Å; S763-L767 WeakPolarHBondContact O-CG 3.45Å; S763-L767 PolarHBondContact O-N 2.94Å; T764-L767 CarbonylContact O-C 3.46Å; T764-L767 PolarHBondContact O-N 3.33Å; T764-L767 VanDerWaalsContact O-N 3.1Å; L767-T771 WeakPolarHBondContact O-CB 3.42Å; L767-T771 PolarHBondContact O-N 3.19Å; L767-T771 PolarHBondContact O-OG1 3Å; L767-T777 HydrophobicContact CD2-CG2 3.41Å; L767-T777 VanDerWaalsContact CD2-CG2 3.41Å |
| 768 | E | 85.4 | Confident | 83.4 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.1 | -45.2 | 173.4 | -74.8 | 169.3 | -156.3 | 0 | 0 | 111.2 | T764 L770 T771 M772 | T764-E768 WeakPolarHBondContact O-CB 3.33Å; T764-E768 WeakPolarHBondContact O-CG 3.44Å; T764-E768 PolarHBondContact O-N 2.99Å; E768-L770 PolarHBondContact O-N 2.89Å; E768-T771 CarbonylContact O-C 3.5Å; E768-T771 WeakPolarHBondContact O-CA 3.49Å; E768-T771 WeakPolarHBondContact O-CB 3.38Å; E768-T771 PolarHBondContact O-N 3.37Å; E768-M772 WeakPolarHBondContact O-CG 3.46Å; E768-M772 PolarHBondContact O-N 2.79Å |
| 769 | F | 89.9 | Confident | 84 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.4 | -49.6 | 172.1 | 178.1 | -89 | 0 | 0 | 0 | 111.8 | E765 T771 M772 Y773 | E765-F769 VanDerWaalsContact O-CB 3.26Å; E765-F769 WeakPolarHBondContact O-CB 3.35Å; E765-F769 PolarHBondContact O-N 2.59Å; F769-T771 VanDerWaalsContact C-N 3.28Å; F769-T771 PolarHBondContact O-N 2.86Å; F769-M772 HydrophobicContact CB-CE 4.38Å; F769-M772 HydrophobicContact CD2-CE 4.17Å; F769-M772 PolarHBondContact O-N 3.29Å; F769-Y773 HydrophobicContact CD1-CD2 4.39Å; F769-Y773 HydrophobicContact CD2-CE2 4.15Å; F769-Y773 HydrophobicContact CE1-CD2 4.06Å; F769-Y773 HydrophobicContact CE1-CE2 4.1Å; F769-Y773 HydrophobicContact CE2-CD2 4.32Å; F769-Y773 AromaticContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CZ-CD2 4.03Å; F769-Y773 AromaticContact CZ-CE2 3.58Å; F769-Y773 HydrophobicContact CZ-CE2 3.58Å; F769-Y773 VanDerWaalsContact O-CD2 3.31Å; F769-Y773 WeakPolarHBondContact O-CD2 3.34Å; F769-Y773 PolarHBondContact O-N 2.98Å |
| 770 | L | 88.9 | Confident | 84.7 | Confident | 40 Ų | 40 | 90.9 Ų | 90.9 | 21% | 0.209 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 173.6 | -73.4 | 169.6 | 0 | 0 | 0 | 111.1 | K766 E768 M772 Y773 S774 L775 T777 | K766-L770 WeakPolarHBondContact O-CB 3.3Å; K766-L770 VanDerWaalsContact O-CG 3.28Å; K766-L770 WeakPolarHBondContact O-CG 3.2Å; K766-L770 PolarHBondContact O-N 3Å; E768-L770 PolarHBondContact O-N 2.89Å; L770-M772 PolarHBondContact O-N 3.4Å; L770-Y773 CarbonylContact O-C 3.53Å; L770-Y773 PolarHBondContact O-N 3.38Å; L770-Y773 VanDerWaalsContact O-N 3.13Å; L770-S774 PolarHBondContact O-N 2.85Å; L770-L775 CarbonylContact C-O 3.52Å; L770-L775 VanDerWaalsContact C-O 3.24Å; L770-L775 HydrophobicContact CB-CB 4.14Å; L770-L775 HydrophobicContact CD2-CB 3.83Å; L770-L775 HydrophobicContact CD2-CD1 4.08Å; L770-L775 CarbonylContact O-C 3.46Å; L770-L775 WeakPolarHBondContact O-CA 3.42Å; L770-L775 WeakPolarHBondContact O-CB 3.31Å; L770-L775 PolarHBondContact O-N 3.25Å; L770-L775 VanDerWaalsContact O-O 3.12Å; L770-T777 HydrophobicContact CD1-CG2 4.14Å |
| 771 | T | 87.4 | Confident | 85.5 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 179.6 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | L767 E768 F769 Y773 S774 | L767-T771 WeakPolarHBondContact O-CB 3.42Å; L767-T771 PolarHBondContact O-N 3.19Å; L767-T771 PolarHBondContact O-OG1 3Å; E768-T771 CarbonylContact O-C 3.5Å; E768-T771 WeakPolarHBondContact O-CA 3.49Å; E768-T771 WeakPolarHBondContact O-CB 3.38Å; E768-T771 PolarHBondContact O-N 3.37Å; F769-T771 VanDerWaalsContact C-N 3.28Å; F769-T771 PolarHBondContact O-N 2.86Å; T771-Y773 PolarHBondContact O-N 3.24Å; T771-S774 WeakPolarHBondContact O-CA 3.29Å; T771-S774 PolarHBondContact O-N 2.87Å |
| 772 | M | 91.4 | Very high | 86.2 | Confident | 142 Ų | 142 | 90.8 Ų | 90.8 | 70% | 0.7 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58 | -36.2 | 173.4 | -71.7 | -165.4 | -74.8 | 0 | 0 | 112.1 | E768 F769 L770 S774 | E768-M772 WeakPolarHBondContact O-CG 3.46Å; E768-M772 PolarHBondContact O-N 2.79Å; F769-M772 HydrophobicContact CB-CE 4.38Å; F769-M772 HydrophobicContact CD2-CE 4.17Å; F769-M772 PolarHBondContact O-N 3.29Å; L770-M772 PolarHBondContact O-N 3.4Å; M772-S774 VanDerWaalsContact C-N 3.31Å |
| 773 | Y | 90.2 | Very high | 86.9 | Confident | 153 Ų | 153 | 90.8 Ų | 90.8 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14 | 175 | -66.3 | -75.5 | 0 | 0 | 0 | 113.8 | F769 L770 T771 L775 | F769-Y773 HydrophobicContact CD1-CD2 4.39Å; F769-Y773 HydrophobicContact CD2-CE2 4.15Å; F769-Y773 HydrophobicContact CE1-CD2 4.06Å; F769-Y773 HydrophobicContact CE1-CE2 4.1Å; F769-Y773 HydrophobicContact CE2-CD2 4.32Å; F769-Y773 AromaticContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CE2-CE2 3.61Å; F769-Y773 HydrophobicContact CZ-CD2 4.03Å; F769-Y773 AromaticContact CZ-CE2 3.58Å; F769-Y773 HydrophobicContact CZ-CE2 3.58Å; F769-Y773 VanDerWaalsContact O-CD2 3.31Å; F769-Y773 WeakPolarHBondContact O-CD2 3.34Å; F769-Y773 PolarHBondContact O-N 2.98Å; L770-Y773 CarbonylContact O-C 3.53Å; L770-Y773 PolarHBondContact O-N 3.38Å; L770-Y773 VanDerWaalsContact O-N 3.13Å; T771-Y773 PolarHBondContact O-N 3.24Å; Y773-L775 PolarHBondContact O-N 3.01Å; Y773-L775 VanDerWaalsContact O-N 3.16Å |
| 774 | S | 88.4 | Confident | 87.2 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 81% | 0.811 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 21 | -175.5 | -59.1 | 0 | 0 | 0 | 0 | 114.8 | L770 T771 M772 | L770-S774 PolarHBondContact O-N 2.85Å; T771-S774 WeakPolarHBondContact O-CA 3.29Å; T771-S774 PolarHBondContact O-N 2.87Å; M772-S774 VanDerWaalsContact C-N 3.31Å |
| 775 | L | 89.7 | Confident | 87.5 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | trans | -93.4 | 162.4 | 173.3 | -58.8 | 179.6 | 0 | 0 | 0 | 110.4 | L770 Y773 | L770-L775 CarbonylContact C-O 3.52Å; L770-L775 VanDerWaalsContact C-O 3.24Å; L770-L775 HydrophobicContact CB-CB 4.14Å; L770-L775 HydrophobicContact CD2-CB 3.83Å; L770-L775 HydrophobicContact CD2-CD1 4.08Å; L770-L775 CarbonylContact O-C 3.46Å; L770-L775 WeakPolarHBondContact O-CA 3.42Å; L770-L775 WeakPolarHBondContact O-CB 3.31Å; L770-L775 PolarHBondContact O-N 3.25Å; L770-L775 VanDerWaalsContact O-O 3.12Å; Y773-L775 PolarHBondContact O-N 3.01Å; Y773-L775 VanDerWaalsContact O-N 3.16Å | ||
| 776 | T | 88.6 | Confident | 87.7 | Confident | 60 Ų | 60 | 88.4 Ų | 88.4 | 37% | 0.368 | 45% | 0.447 | S | S | . | . | trans | -156 | 164.9 | 172.6 | -156.6 | 0 | 0 | 0 | 0 | 110.2 | R780 R781 | T776-R780 WeakPolarHBondContact OG1-CD 3.39Å; T776-R781 HydrophobicContact CG2-CB 3.92Å | ||
| 777 | T | 86.8 | Confident | 88 | Confident | 14 Ų | 14 | 90.6 Ų | 90.6 | 9% | 0.086 | 46% | 0.458 | C | S | . | . | trans | -69.1 | 155.4 | -177.9 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | L760 L767 L770 S779 R780 R781 | L760-T777 HydrophobicContact CD2-CG2 3.53Å; L767-T777 HydrophobicContact CD2-CG2 3.41Å; L767-T777 VanDerWaalsContact CD2-CG2 3.41Å; L770-T777 HydrophobicContact CD1-CG2 4.14Å; T777-S779 PolarHBondContact O-N 2.82Å; T777-R780 PolarHBondContact O-N 3.1Å; T777-R780 WeakPolarHBondContact OG1-CB 3.38Å; T777-R780 PolarHBondContact OG1-N 3.22Å; T777-R781 WeakPolarHBondContact O-CB 3.39Å; T777-R781 PolarHBondContact O-N 3.38Å | ||
| 778 | V | 84.9 | Confident | 88.2 | Confident | 91 Ų | 91 | 95.7 Ų | 95.7 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | -179.1 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | D782 | V778-D782 WeakPolarHBondContact O-CB 3.45Å; V778-D782 VanDerWaalsContact O-CG 3.25Å; V778-D782 PolarHBondContact O-N 3.31Å |
| 779 | S | 83.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -54.3 | 174.1 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | T777 R781 D782 E783 | T777-S779 PolarHBondContact O-N 2.82Å; S779-R781 VanDerWaalsContact C-N 3.27Å; S779-R781 PolarHBondContact O-N 3.43Å; S779-D782 CarbonylContact O-C 3.56Å; S779-D782 PolarHBondContact O-N 2.92Å; S779-E783 VanDerWaalsContact C-OE1 3.24Å; S779-E783 WeakPolarHBondContact CB-OE1 3.44Å; S779-E783 WeakPolarHBondContact O-CB 3.38Å; S779-E783 VanDerWaalsContact O-CG 3.29Å; S779-E783 WeakPolarHBondContact O-CG 3.28Å; S779-E783 PolarHBondContact O-N 3.24Å; S779-E783 PolarHBondContact OG-OE1 2.87Å |
| 780 | R | 84.2 | Confident | 88.1 | Confident | 128 Ų | 128 | 98.7 Ų | 98.7 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -33.1 | -178.4 | -166.7 | 165.8 | -178.7 | -178.8 | 1 | 112.5 | T776 T777 L784 | T776-R780 WeakPolarHBondContact OG1-CD 3.39Å; T777-R780 PolarHBondContact O-N 3.1Å; T777-R780 WeakPolarHBondContact OG1-CB 3.38Å; T777-R780 PolarHBondContact OG1-N 3.22Å; R780-L784 WeakPolarHBondContact O-CB 3.3Å; R780-L784 PolarHBondContact O-N 2.82Å |
| 781 | R | 88 | Confident | 88.1 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 169.7 | -175 | -161.3 | 72.1 | -169.4 | -2 | 111.5 | T776 T777 S779 L784 V785 | T776-R781 HydrophobicContact CG2-CB 3.92Å; T777-R781 WeakPolarHBondContact O-CB 3.39Å; T777-R781 PolarHBondContact O-N 3.38Å; S779-R781 VanDerWaalsContact C-N 3.27Å; S779-R781 PolarHBondContact O-N 3.43Å; R781-L784 WeakPolarHBondContact O-CB 3.47Å; R781-L784 PolarHBondContact O-N 2.76Å; R781-V785 WeakPolarHBondContact O-CG2 3.24Å; R781-V785 PolarHBondContact O-N 3.35Å |
| 782 | D | 87.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 105.1 Ų | 105.1 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75 | -30.4 | -174.2 | -70 | -6.5 | 0 | 0 | 0 | 112 | V778 S779 V785 Q786 | V778-D782 WeakPolarHBondContact O-CB 3.45Å; V778-D782 VanDerWaalsContact O-CG 3.25Å; V778-D782 PolarHBondContact O-N 3.31Å; S779-D782 CarbonylContact O-C 3.56Å; S779-D782 PolarHBondContact O-N 2.92Å; D782-V785 PolarHBondContact O-N 2.89Å; D782-Q786 WeakPolarHBondContact O-CB 3.44Å; D782-Q786 WeakPolarHBondContact O-CG 3.35Å; D782-Q786 PolarHBondContact O-N 3.47Å |
| 783 | E | 90.4 | Very high | 87.9 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 41% | 0.407 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 164.4 | -71.9 | 157.4 | -135.9 | 0 | 0 | 111.5 | S779 V785 Q786 Q787 | S779-E783 VanDerWaalsContact C-OE1 3.24Å; S779-E783 WeakPolarHBondContact CB-OE1 3.44Å; S779-E783 WeakPolarHBondContact O-CB 3.38Å; S779-E783 VanDerWaalsContact O-CG 3.29Å; S779-E783 WeakPolarHBondContact O-CG 3.28Å; S779-E783 PolarHBondContact O-N 3.24Å; S779-E783 PolarHBondContact OG-OE1 2.87Å; E783-V785 VanDerWaalsContact C-N 3.29Å; E783-V785 PolarHBondContact O-N 3.37Å; E783-Q786 CarbonylContact O-C 3.57Å; E783-Q786 WeakPolarHBondContact O-CA 3.45Å; E783-Q786 WeakPolarHBondContact O-CB 3.47Å; E783-Q786 PolarHBondContact O-N 2.87Å; E783-Q786 VanDerWaalsContact O-N 3.1Å; E783-Q787 WeakPolarHBondContact O-CG 3.11Å; E783-Q787 PolarHBondContact O-N 2.75Å |
| 784 | L | 88.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 43% | 0.429 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 175.9 | -166.3 | 82.6 | 0 | 0 | 0 | 111.6 | R780 R781 Q787 K788 | R780-L784 WeakPolarHBondContact O-CB 3.3Å; R780-L784 PolarHBondContact O-N 2.82Å; R781-L784 WeakPolarHBondContact O-CB 3.47Å; R781-L784 PolarHBondContact O-N 2.76Å; L784-Q787 PolarHBondContact O-N 2.75Å; L784-K788 WeakPolarHBondContact O-CB 3.42Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.15Å; L784-K788 PolarHBondContact O-N 2.93Å |
| 785 | V | 88.8 | Confident | 87.6 | Confident | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | R781 D782 E783 K788 R789 | R781-V785 WeakPolarHBondContact O-CG2 3.24Å; R781-V785 PolarHBondContact O-N 3.35Å; D782-V785 PolarHBondContact O-N 2.89Å; E783-V785 VanDerWaalsContact C-N 3.29Å; E783-V785 PolarHBondContact O-N 3.37Å; V785-K788 PolarHBondContact O-N 3.34Å; V785-R789 WeakPolarHBondContact O-CB 3.43Å; V785-R789 PolarHBondContact O-N 3.11Å |
| 786 | Q | 88.6 | Confident | 87.4 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 172.7 | -79 | -172.9 | 59 | 0 | 0 | 112 | D782 E783 R789 R790 | D782-Q786 WeakPolarHBondContact O-CB 3.44Å; D782-Q786 WeakPolarHBondContact O-CG 3.35Å; D782-Q786 PolarHBondContact O-N 3.47Å; E783-Q786 CarbonylContact O-C 3.57Å; E783-Q786 WeakPolarHBondContact O-CA 3.45Å; E783-Q786 WeakPolarHBondContact O-CB 3.47Å; E783-Q786 PolarHBondContact O-N 2.87Å; E783-Q786 VanDerWaalsContact O-N 3.1Å; Q786-R789 CarbonylContact O-C 3.55Å; Q786-R789 PolarHBondContact O-N 3.44Å; Q786-R790 VanDerWaalsContact O-CG 3.3Å; Q786-R790 WeakPolarHBondContact O-CG 3.47Å; Q786-R790 PolarHBondContact O-N 2.79Å |
| 787 | Q | 90.3 | Very high | 87.2 | Confident | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.9 | -47.2 | 175.7 | -73.3 | -178.1 | 6 | 0 | 0 | 110.7 | E783 L784 R789 R790 K791 | E783-Q787 WeakPolarHBondContact O-CG 3.11Å; E783-Q787 PolarHBondContact O-N 2.75Å; L784-Q787 PolarHBondContact O-N 2.75Å; Q787-R789 VanDerWaalsContact C-N 3.31Å; Q787-R789 PolarHBondContact O-N 2.89Å; Q787-R790 CarbonylContact O-C 3.48Å; Q787-R790 WeakPolarHBondContact O-CB 3.3Å; Q787-R790 PolarHBondContact O-N 3.48Å; Q787-R790 VanDerWaalsContact O-N 3.09Å; Q787-K791 PolarHBondContact O-N 2.71Å |
| 788 | K | 90.6 | Very high | 87 | Confident | 137 Ų | 137 | 111.6 Ų | 111.6 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.6 | -41.3 | 173 | -74.7 | 172.3 | 179.8 | 178.3 | 0 | 111.6 | L784 V785 K791 R792 | L784-K788 WeakPolarHBondContact O-CB 3.42Å; L784-K788 VanDerWaalsContact O-CG 3.28Å; L784-K788 WeakPolarHBondContact O-CG 3.15Å; L784-K788 PolarHBondContact O-N 2.93Å; V785-K788 PolarHBondContact O-N 3.34Å; K788-K791 PolarHBondContact O-N 3.11Å; K788-R792 WeakPolarHBondContact O-CB 3.38Å; K788-R792 PolarHBondContact O-N 3.41Å |
| 789 | R | 86.8 | Confident | 86.7 | Confident | 156 Ų | 156 | 118.5 Ų | 118.5 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -34.7 | 174.1 | -161.6 | -171.4 | -74.9 | -149.8 | 0.8 | 112.7 | V785 Q786 Q787 R793 | V785-R789 WeakPolarHBondContact O-CB 3.43Å; V785-R789 PolarHBondContact O-N 3.11Å; Q786-R789 CarbonylContact O-C 3.55Å; Q786-R789 PolarHBondContact O-N 3.44Å; Q787-R789 VanDerWaalsContact C-N 3.31Å; Q787-R789 PolarHBondContact O-N 2.89Å; R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 WeakPolarHBondContact O-CG 3.5Å; R789-R793 PolarHBondContact O-N 2.84Å; R789-R793 VanDerWaalsContact O-N 3.08Å; R789-R793 PolarHBondContact O-NE 2.95Å |
| 790 | R | 86.2 | Confident | 86.1 | Confident | 138 Ų | 138 | 120.4 Ų | 120.4 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 172.3 | -70.2 | 174.1 | -160.1 | -166.5 | 7.8 | 110.3 | Q786 Q787 R793 R794 | Q786-R790 VanDerWaalsContact O-CG 3.3Å; Q786-R790 WeakPolarHBondContact O-CG 3.47Å; Q786-R790 PolarHBondContact O-N 2.79Å; Q787-R790 CarbonylContact O-C 3.48Å; Q787-R790 WeakPolarHBondContact O-CB 3.3Å; Q787-R790 PolarHBondContact O-N 3.48Å; Q787-R790 VanDerWaalsContact O-N 3.09Å; R790-R793 PolarHBondContact O-N 3.12Å; R790-R794 PolarHBondContact O-N 2.96Å |
| 791 | K | 90.4 | Very high | 85.3 | Confident | 128 Ų | 128 | 118 Ų | 118 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 175.9 | -177.2 | 168.8 | -179.5 | 172.3 | 0 | 111.9 | Q787 K788 R793 R794 M795 | Q787-K791 PolarHBondContact O-N 2.71Å; K788-K791 PolarHBondContact O-N 3.11Å; K791-R793 PolarHBondContact O-N 3.33Å; K791-R794 PolarHBondContact O-N 3.23Å; K791-M795 HydrophobicContact CD-SD 4.31Å; K791-M795 HydrophobicContact CG-CG 4.49Å; K791-M795 HydrophobicContact CG-SD 3.7Å; K791-M795 WeakPolarHBondContact O-CG 3.28Å; K791-M795 PolarHBondContact O-N 2.92Å |
| 792 | R | 89.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 117.1 Ų | 117.1 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57 | -45.1 | 174.7 | -178.8 | 178.9 | 165.4 | -71.4 | -10.2 | 112.1 | K788 R794 M795 L796 E798 | K788-R792 WeakPolarHBondContact O-CB 3.38Å; K788-R792 PolarHBondContact O-N 3.41Å; R792-R794 PolarHBondContact O-N 2.91Å; R792-M795 PolarHBondContact O-N 2.74Å; R792-L796 HydrophobicContact CG-CD1 3.66Å; R792-L796 HydrophobicContact CG-CG 4.27Å; R792-L796 VanDerWaalsContact CZ-CD1 3.46Å; R792-L796 VanDerWaalsContact NH2-CD1 3.35Å; R792-L796 WeakPolarHBondContact O-CB 3.25Å; R792-L796 WeakPolarHBondContact O-CG 3.39Å; R792-L796 PolarHBondContact O-N 3.01Å; R792-E798 IonicContact CZ-OE1 2.65Å; R792-E798 IonicContact CZ-OE2 3.13Å; R792-E798 IonicContact NH1-OE1 2.78Å; R792-E798 PolarHBondContact NH1-OE1 3.43Å; R792-E798 IonicContact NH1-OE2 3.79Å; R792-E798 PolarHBondContact NH1-OE2 3.43Å; R792-E798 IonicContact NH2-OE1 3.45Å; R792-E798 PolarHBondContact NH2-OE1 3.23Å |
| 793 | R | 85.1 | Confident | 81.6 | Confident | 54 Ų | 54 | 119.6 Ų | 119.6 | 20% | 0.204 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -61.5 | -41.7 | 177.2 | -81.6 | 173.3 | -69.3 | -153.2 | 6 | 112.8 | R789 R790 K791 R797 E798 | R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 WeakPolarHBondContact O-CG 3.5Å; R789-R793 PolarHBondContact O-N 2.84Å; R789-R793 VanDerWaalsContact O-N 3.08Å; R789-R793 PolarHBondContact O-NE 2.95Å; R790-R793 PolarHBondContact O-N 3.12Å; K791-R793 PolarHBondContact O-N 3.33Å; R793-R797 WeakPolarHBondContact O-CA 3.4Å; R793-R797 PolarHBondContact O-N 3.26Å; R793-R797 VanDerWaalsContact O-N 3.08Å; R793-E798 HydrophobicContact CB-CB 4.24Å; R793-E798 HydrophobicContact CG-CB 3.93Å; R793-E798 WeakPolarHBondContact CG-OE2 3.26Å; R793-E798 PolarHBondContact O-N 2.96Å |
| 794 | R | 85.8 | Confident | 79.6 | Confident | 190 Ų | 190 | 121 Ų | 121 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.5 | -51.6 | 174.9 | -69.3 | -166.4 | -65.2 | -131.3 | 8.9 | 111.5 | R790 K791 R792 L796 R797 | R790-R794 PolarHBondContact O-N 2.96Å; K791-R794 PolarHBondContact O-N 3.23Å; R792-R794 PolarHBondContact O-N 2.91Å; R794-L796 PolarHBondContact O-N 2.97Å; R794-R797 PolarHBondContact O-N 3.31Å |
| 795 | M | 86.5 | Confident | 77.3 | Confident | 136 Ų | 136 | 121.9 Ų | 121.9 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.9 | -42.4 | 179.8 | -73.1 | 165.1 | 52.7 | 0 | 0 | 112.9 | K791 R792 R797 | K791-M795 HydrophobicContact CD-SD 4.31Å; K791-M795 HydrophobicContact CG-CG 4.49Å; K791-M795 HydrophobicContact CG-SD 3.7Å; K791-M795 WeakPolarHBondContact O-CG 3.28Å; K791-M795 PolarHBondContact O-N 2.92Å; R792-M795 PolarHBondContact O-N 2.74Å; M795-R797 VanDerWaalsContact C-N 3.3Å; M795-R797 PolarHBondContact O-N 3.09Å |
| 796 | L | 84.8 | Confident | 75.1 | Confident | 98 Ų | 98 | 123.1 Ų | 123.1 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | 7.7 | -179.5 | -61.6 | 179.8 | 0 | 0 | 0 | 113.8 | R792 R794 E798 | R792-L796 HydrophobicContact CG-CD1 3.66Å; R792-L796 HydrophobicContact CG-CG 4.27Å; R792-L796 VanDerWaalsContact CZ-CD1 3.46Å; R792-L796 VanDerWaalsContact NH2-CD1 3.35Å; R792-L796 WeakPolarHBondContact O-CB 3.25Å; R792-L796 WeakPolarHBondContact O-CG 3.39Å; R792-L796 PolarHBondContact O-N 3.01Å; R794-L796 PolarHBondContact O-N 2.97Å; L796-E798 HydrophobicContact CB-CG 3.93Å; L796-E798 PolarHBondContact O-N 2.86Å |
| 797 | R | 84.8 | Confident | 72.9 | Confident | 176 Ų | 176 | 125.6 Ų | 125.6 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.8 | 33.5 | -175.1 | -58.8 | -174.6 | 178.6 | -157 | 0.4 | 113.5 | R793 R794 M795 | R793-R797 WeakPolarHBondContact O-CA 3.4Å; R793-R797 PolarHBondContact O-N 3.26Å; R793-R797 VanDerWaalsContact O-N 3.08Å; R794-R797 PolarHBondContact O-N 3.31Å; M795-R797 VanDerWaalsContact C-N 3.3Å; M795-R797 PolarHBondContact O-N 3.09Å |
| 798 | E | 80.9 | Confident | 70.5 | Confident | 72 Ų | 72 | 124 Ų | 124 | 34% | 0.336 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -68 | 135.8 | -178.5 | -76.1 | 178.1 | 154.8 | 0 | 0 | 110.4 | R792 R793 L796 S800 | R792-E798 IonicContact CZ-OE1 2.65Å; R792-E798 IonicContact CZ-OE2 3.13Å; R792-E798 IonicContact NH1-OE1 2.78Å; R792-E798 PolarHBondContact NH1-OE1 3.43Å; R792-E798 IonicContact NH1-OE2 3.79Å; R792-E798 PolarHBondContact NH1-OE2 3.43Å; R792-E798 IonicContact NH2-OE1 3.45Å; R792-E798 PolarHBondContact NH2-OE1 3.23Å; R793-E798 HydrophobicContact CB-CB 4.24Å; R793-E798 HydrophobicContact CG-CB 3.93Å; R793-E798 WeakPolarHBondContact CG-OE2 3.26Å; R793-E798 PolarHBondContact O-N 2.96Å; L796-E798 HydrophobicContact CB-CG 3.93Å; L796-E798 PolarHBondContact O-N 2.86Å; E798-S800 PolarHBondContact O-N 2.92Å |
| 799 | R | 79.9 | Confident | 68.6 | Low | 235 Ų | 235 | 124.3 Ų | 124.3 | 89% | 0.887 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 129.7 | 177 | -68.7 | -172.3 | -178 | -134.8 | 7.4 | 110.5 | ||
| 800 | S | 70.8 | Confident | 66.7 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 128.6 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | E798 S802 | E798-S800 PolarHBondContact O-N 2.92Å; S800-S802 PolarHBondContact O-N 3.32Å |
| 801 | P | 66.6 | Low | 64.9 | Low | 76 Ų | 76 | 126.6 Ų | 126.6 | 49% | 0.494 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 142.4 | 168 | -9.8 | 21.3 | 0 | 0 | 0 | 108.6 | ||
| 802 | S | 44.1 | Very low | 62.6 | Low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 134.8 | 165.1 | -46.7 | 0 | 0 | 0 | 0 | 108.9 | S800 | S800-S802 PolarHBondContact O-N 3.32Š|
| 803 | P | 53.2 | Low | 60.9 | Low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.5 | 172.9 | 24 | -32.7 | 0 | 0 | 0 | 108.3 | A805 | P803-A805 PolarHBondContact O-N 3.4Š|
| 804 | P | 48.4 | Very low | 59.6 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.4 | 179.7 | 25.7 | -33.7 | 0 | 0 | 0 | 108.7 | S806 | P804-S806 VanDerWaalsContact C-N 3.35Å; P804-S806 PolarHBondContact O-N 2.87Å |
| 805 | A | 41.1 | Very low | 58.3 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | trans | -62.4 | 95.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P803 Q807 | P803-A805 PolarHBondContact O-N 3.4Å; A805-Q807 PolarHBondContact O-N 3.4Å | ||
| 806 | S | 41.6 | Very low | 56.9 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | trans | -71.5 | 116.3 | -173 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | P804 S808 | P804-S806 VanDerWaalsContact C-N 3.35Å; P804-S806 PolarHBondContact O-N 2.87Å; S806-S808 PolarHBondContact O-N 3.09Å | ||
| 807 | Q | 43.7 | Very low | 55.3 | Low | 150 Ų | 150 | 122.7 Ų | 122.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -74.5 | 38.9 | 172.2 | -63 | -165.7 | 43 | 0 | 0 | 112 | A805 | A805-Q807 PolarHBondContact O-N 3.4Š| ||
| 808 | S | 39.3 | Very low | 53.6 | Low | 84 Ų | 84 | 122.4 Ų | 122.4 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | trans | -80.3 | 128.4 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | S806 R810 | S806-S808 PolarHBondContact O-N 3.09Å; S808-R810 PolarHBondContact O-N 3.39Å | ||
| 809 | K | 51.6 | Low | 52 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | -76.8 | 60.9 | 172.1 | -65.2 | -175.7 | -178.1 | -179.7 | 0 | 110.3 | D140 | D140-K809 IonicContact OD1-NZ 3.36Å; D140-K809 PolarHBondContact OD1-NZ 3.13Å; D140-K809 IonicContact OD2-NZ 2.72Å; D140-K809 PolarHBondContact OD2-NZ 2.86Å | ||
| 810 | R | 45.8 | Very low | 50.8 | Low | 221 Ų | 221 | 121.4 Ų | 121.4 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -87.4 | 138.8 | 170 | -152.8 | 169.5 | -167.7 | 167.8 | 3.3 | 108 | S808 | S808-R810 PolarHBondContact O-N 3.39Š| ||
| 811 | T | 48 | Very low | 50.6 | Low | 120 Ų | 120 | 119.7 Ų | 119.7 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -43.7 | 137.9 | 167.4 | -44.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 812 | P | 43.9 | Very low | 51.1 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.4 | 173.9 | 22.8 | -34.1 | 0 | 0 | 0 | 108.9 | ||
| 813 | P | 53.5 | Low | 52.4 | Low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 149.2 | 171.7 | 26.3 | -34.1 | 0 | 0 | 0 | 108.5 | ||
| 814 | P | 57 | Low | 53.8 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 135.8 | 172.5 | 24.2 | -33.7 | 0 | 0 | 0 | 108.1 | ||
| 815 | P | 58 | Low | 55.2 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 135.9 | -176 | 22.8 | -33.2 | 0 | 0 | 0 | 108.7 | A817 | P815-A817 PolarHBondContact O-N 3.41Š|
| 816 | P | 57.4 | Low | 57.1 | Low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 131.3 | -179.7 | 23.6 | -33.8 | 0 | 0 | 0 | 108.1 | Q818 | P816-Q818 PolarHBondContact O-N 3.14Š|
| 817 | A | 52.3 | Low | 59 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -44.8 | 116.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P815 L819 | P815-A817 PolarHBondContact O-N 3.41Å; A817-L819 PolarHBondContact O-N 3.42Å | ||
| 818 | Q | 48.7 | Very low | 60.6 | Low | 171 Ų | 171 | 118.5 Ų | 118.5 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | trans | -52.1 | 130.9 | -170.9 | -72 | -178.5 | -18.4 | 0 | 0 | 108.8 | P816 S820 | P816-Q818 PolarHBondContact O-N 3.14Å; Q818-S820 PolarHBondContact O-N 2.99Å | ||
| 819 | L | 46.2 | Very low | 62.6 | Low | 176 Ų | 176 | 116 Ų | 116 | 92% | 0.921 | 62% | 0.624 | S | S | * | * | trans | -69.4 | 75.6 | 178.5 | -68.5 | 176.8 | 0 | 0 | 0 | 109.3 | A817 T821 | A817-L819 PolarHBondContact O-N 3.42Å; L819-T821 PolarHBondContact O-N 3.49Å | ||
| 820 | S | 54.8 | Low | 64 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -74.7 | 91.7 | -172 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | Q818 | Q818-S820 PolarHBondContact O-N 2.99Š| ||
| 821 | T | 68.1 | Low | 65.8 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | trans | -60.2 | 139.8 | 164.1 | 144.3 | 0 | 0 | 0 | 0 | 108.8 | L819 F823 M828 | L819-T821 PolarHBondContact O-N 3.49Å; T821-F823 PolarHBondContact O-N 3.19Å; T821-F823 PolarHBondContact OG1-N 3.49Å; T821-F823 PolarHBondContact OG1-O 3.26Å; T821-F823 VanDerWaalsContact OG1-O 3.06Å; T821-M828 HydrophobicContact CG2-SD 4.38Å | ||
| 822 | R | 75.9 | Confident | 67.2 | Low | 244 Ų | 244 | 109 Ų | 109 | 92% | 0.921 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -71.9 | -10.2 | 175.2 | -69.3 | -172.2 | 178.2 | -172.2 | -0.1 | 113.6 | ||
| 823 | F | 72.7 | Confident | 69.1 | Low | 134 Ų | 134 | 109.1 Ų | 109.1 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -98.4 | 138.7 | 177.9 | -56 | -75.3 | 0 | 0 | 0 | 110.4 | T821 E827 M828 | T821-F823 PolarHBondContact O-N 3.19Å; T821-F823 PolarHBondContact OG1-N 3.49Å; T821-F823 PolarHBondContact OG1-O 3.26Å; T821-F823 VanDerWaalsContact OG1-O 3.06Å; F823-E827 VanDerWaalsContact CA-OE2 3.29Å; F823-E827 WeakPolarHBondContact CA-OE2 3.2Å; F823-E827 HydrophobicContact CB-CB 4.3Å; F823-M828 HydrophobicContact CB-CG 3.92Å |
| 824 | T | 81.3 | Confident | 70.7 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | trans | -66.9 | 152.9 | 167.7 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | E826 E827 M828 | T824-E826 PolarHBondContact O-N 2.85Å; T824-E826 VanDerWaalsContact O-N 3.15Å; T824-E827 WeakPolarHBondContact CB-OE1 3.3Å; T824-E827 VanDerWaalsContact CG2-OE1 3.25Å; T824-E827 WeakPolarHBondContact CG2-OE1 3.21Å; T824-E827 PolarHBondContact N-OE2 3.43Å; T824-E827 WeakPolarHBondContact O-CB 3.46Å; T824-E827 PolarHBondContact O-N 3.41Å; T824-E827 VanDerWaalsContact OG1-CG 3.32Å; T824-E827 WeakPolarHBondContact OG1-CG 3.38Å; T824-E827 PolarHBondContact OG1-N 2.92Å; T824-E827 VanDerWaalsContact OG1-N 3.17Å; T824-E827 PolarHBondContact OG1-OE1 3.24Å; T824-M828 PolarHBondContact O-N 3.36Å | ||
| 825 | P | 78.3 | Confident | 72.2 | Confident | 61 Ų | 61 | 104.2 Ų | 104.2 | 40% | 0.396 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -53.3 | -34.9 | 173.6 | -26.8 | 36.4 | 0 | 0 | 0 | 112.4 | M828 D829 R854 | P825-M828 PolarHBondContact O-N 2.87Å; P825-D829 WeakPolarHBondContact O-CB 3.49Å; P825-D829 PolarHBondContact O-N 3.45Å; P825-R854 VanDerWaalsContact CB-NH1 3.33Å |
| 826 | E | 80.4 | Confident | 73.6 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 30% | 0.299 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -75 | -21.9 | 178.3 | -66.6 | 63 | -139.3 | 0 | 0 | 113.3 | T824 R830 R854 | T824-E826 PolarHBondContact O-N 2.85Å; T824-E826 VanDerWaalsContact O-N 3.15Å; E826-R830 VanDerWaalsContact C-NH1 3.33Å; E826-R830 WeakPolarHBondContact O-CG 3.36Å; E826-R830 PolarHBondContact O-NH1 2.73Å; E826-R854 IonicContact OE1-CZ 3.23Å; E826-R854 IonicContact OE1-NH1 3.74Å; E826-R854 PolarHBondContact OE1-NH1 3.42Å |
| 827 | E | 82.2 | Confident | 75.1 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -77.5 | -40.8 | 166.9 | -76.7 | 144 | -134.1 | 0 | 0 | 111.4 | F823 T824 D829 R830 A831 | F823-E827 VanDerWaalsContact CA-OE2 3.29Å; F823-E827 WeakPolarHBondContact CA-OE2 3.2Å; F823-E827 HydrophobicContact CB-CB 4.3Å; T824-E827 WeakPolarHBondContact CB-OE1 3.3Å; T824-E827 VanDerWaalsContact CG2-OE1 3.25Å; T824-E827 WeakPolarHBondContact CG2-OE1 3.21Å; T824-E827 PolarHBondContact N-OE2 3.43Å; T824-E827 WeakPolarHBondContact O-CB 3.46Å; T824-E827 PolarHBondContact O-N 3.41Å; T824-E827 VanDerWaalsContact OG1-CG 3.32Å; T824-E827 WeakPolarHBondContact OG1-CG 3.38Å; T824-E827 PolarHBondContact OG1-N 2.92Å; T824-E827 VanDerWaalsContact OG1-N 3.17Å; T824-E827 PolarHBondContact OG1-OE1 3.24Å; E827-D829 VanDerWaalsContact C-N 3.25Å; E827-D829 PolarHBondContact O-N 2.84Å; E827-R830 CarbonylContact O-C 3.43Å; E827-R830 PolarHBondContact O-N 2.85Å; E827-A831 PolarHBondContact O-N 3.38Å |
| 828 | M | 78.1 | Confident | 76.9 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 174.1 | -65.4 | -179.4 | 63.3 | 0 | 0 | 111.3 | T821 F823 T824 P825 R830 A831 | T821-M828 HydrophobicContact CG2-SD 4.38Å; F823-M828 HydrophobicContact CB-CG 3.92Å; T824-M828 PolarHBondContact O-N 3.36Å; P825-M828 PolarHBondContact O-N 2.87Å; M828-R830 PolarHBondContact O-N 3.46Å; M828-A831 PolarHBondContact O-N 3.33Å |
| 829 | D | 81.3 | Confident | 78.7 | Confident | 31 Ų | 31 | 102 Ų | 102 | 17% | 0.166 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -0 | 174.7 | -65.6 | -25.6 | 0 | 0 | 0 | 114 | P825 E827 H848 V851 R854 | P825-D829 WeakPolarHBondContact O-CB 3.49Å; P825-D829 PolarHBondContact O-N 3.45Å; E827-D829 VanDerWaalsContact C-N 3.25Å; E827-D829 PolarHBondContact O-N 2.84Å; D829-H848 IonicContact OD1-CD2 2.87Å; D829-H848 IonicContact OD1-CE1 3.72Å; D829-H848 PolarHBondContact OD1-CE1 3.11Å; D829-H848 VanDerWaalsContact OD1-CE1 3.3Å; D829-H848 IonicContact OD1-NE2 2.76Å; D829-H848 PolarHBondContact OD1-NE2 2.86Å; D829-V851 HydrophobicContact CB-CG2 4.44Å; D829-V851 VanDerWaalsContact OD2-CG2 3.23Å; D829-V851 WeakPolarHBondContact OD2-CG2 3.32Å; D829-R854 IonicContact OD1-NH2 2.73Å; D829-R854 IonicContact OD2-CZ 2.69Å; D829-R854 VanDerWaalsContact OD2-CZ 3.31Å; D829-R854 IonicContact OD2-NH1 3.31Å; D829-R854 PolarHBondContact OD2-NH1 3.09Å; D829-R854 IonicContact OD2-NH2 3.81Å; D829-R854 PolarHBondContact OD2-NH2 3.33Å |
| 830 | R | 80.5 | Confident | 80.8 | Confident | 189 Ų | 189 | 99.6 Ų | 99.6 | 71% | 0.713 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 0.3 | 174.1 | -69.5 | -179.2 | -170.5 | 105.6 | -10.8 | 114.1 | E826 E827 M828 | E826-R830 VanDerWaalsContact C-NH1 3.33Å; E826-R830 WeakPolarHBondContact O-CG 3.36Å; E826-R830 PolarHBondContact O-NH1 2.73Å; E827-R830 CarbonylContact O-C 3.43Å; E827-R830 PolarHBondContact O-N 2.85Å; M828-R830 PolarHBondContact O-N 3.46Å |
| 831 | A | 82.8 | Confident | 82.5 | Confident | 24 Ų | 24 | 97 Ų | 97 | 20% | 0.198 | 46% | 0.459 | C | S | . | . | trans | -65.9 | 139.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E827 M828 E833 L834 | E827-A831 PolarHBondContact O-N 3.38Å; M828-A831 PolarHBondContact O-N 3.33Å; A831-E833 PolarHBondContact O-N 2.76Å; A831-L834 VanDerWaalsContact O-CB 3.25Å; A831-L834 WeakPolarHBondContact O-CB 3.15Å; A831-L834 PolarHBondContact O-N 3.17Å; A831-L834 VanDerWaalsContact O-N 3.08Å | ||
| 832 | P | 77.9 | Confident | 83.6 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 82% | 0.818 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.4 | -179.9 | 27.9 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 833 | E | 83.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.5 | 178.9 | -57 | 158.3 | 168.4 | 0 | 0 | 112.5 | A831 E835 D836 K837 | A831-E833 PolarHBondContact O-N 2.76Å; E833-E835 VanDerWaalsContact C-N 3.27Å; E833-E835 PolarHBondContact O-N 2.81Å; E833-D836 PolarHBondContact O-N 3.22Å; E833-D836 VanDerWaalsContact O-N 3.14Å; E833-K837 HydrophobicContact CB-CD 4.09Å; E833-K837 WeakPolarHBondContact O-CG 3.45Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 WeakPolarHBondContact OE2-CE 3.34Å; E833-K837 IonicContact OE2-NZ 2.65Å; E833-K837 PolarHBondContact OE2-NZ 2.94Å |
| 834 | L | 86.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 90.6 Ų | 90.6 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.6 | -38.9 | -171.8 | 177.1 | 63.5 | 0 | 0 | 0 | 112.3 | A831 K837 K838 | A831-L834 VanDerWaalsContact O-CB 3.25Å; A831-L834 WeakPolarHBondContact O-CB 3.15Å; A831-L834 PolarHBondContact O-N 3.17Å; A831-L834 VanDerWaalsContact O-N 3.08Å; L834-K837 PolarHBondContact O-N 3.36Å; L834-K838 HydrophobicContact CG-CD 4.17Å; L834-K838 WeakPolarHBondContact O-CB 3.42Å; L834-K838 VanDerWaalsContact O-CG 3.27Å; L834-K838 WeakPolarHBondContact O-CG 3.31Å; L834-K838 PolarHBondContact O-N 3.21Å |
| 835 | E | 87.9 | Confident | 85.4 | Confident | 99 Ų | 99 | 94.9 Ų | 94.9 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 178.7 | -81.2 | 46.3 | -112.5 | 0 | 0 | 112.4 | E833 K838 R839 | E833-E835 VanDerWaalsContact C-N 3.27Å; E833-E835 PolarHBondContact O-N 2.81Å; E835-K838 WeakPolarHBondContact O-CB 3.5Å; E835-K838 PolarHBondContact O-N 3.13Å; E835-K838 IonicContact OE1-NZ 2.7Å; E835-K838 PolarHBondContact OE1-NZ 3.34Å; E835-R839 WeakPolarHBondContact O-CG 3.43Å; E835-R839 PolarHBondContact O-N 2.81Å |
| 836 | D | 88.3 | Confident | 85.9 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76 | -33.8 | 175.5 | -65.8 | -37 | 0 | 0 | 0 | 111.6 | E833 R839 F840 | E833-D836 PolarHBondContact O-N 3.22Å; E833-D836 VanDerWaalsContact O-N 3.14Å; D836-R839 PolarHBondContact O-N 3.19Å; D836-R839 IonicContact OD1-NE 3.68Å; D836-F840 WeakPolarHBondContact O-CB 3.33Å; D836-F840 PolarHBondContact O-N 3.43Å |
| 837 | K | 88.4 | Confident | 86.2 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 169.7 | -74.9 | 161.8 | 170.5 | 164.3 | 0 | 111.8 | E833 L834 F840 L841 | E833-K837 HydrophobicContact CB-CD 4.09Å; E833-K837 WeakPolarHBondContact O-CG 3.45Å; E833-K837 PolarHBondContact O-N 3.23Å; E833-K837 WeakPolarHBondContact OE2-CE 3.34Å; E833-K837 IonicContact OE2-NZ 2.65Å; E833-K837 PolarHBondContact OE2-NZ 2.94Å; L834-K837 PolarHBondContact O-N 3.36Å; K837-F840 PolarHBondContact O-N 2.91Å; K837-L841 WeakPolarHBondContact O-CB 3.43Å; K837-L841 VanDerWaalsContact O-CG 3.32Å; K837-L841 WeakPolarHBondContact O-CG 3.4Å; K837-L841 PolarHBondContact O-N 3.13Å |
| 838 | K | 89.8 | Confident | 86.5 | Confident | 64 Ų | 64 | 96.7 Ų | 96.7 | 28% | 0.278 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 170.4 | -75.3 | 162.5 | -178.9 | 164.7 | 0 | 111.7 | L834 E835 T842 H848 | L834-K838 HydrophobicContact CG-CD 4.17Å; L834-K838 WeakPolarHBondContact O-CB 3.42Å; L834-K838 VanDerWaalsContact O-CG 3.27Å; L834-K838 WeakPolarHBondContact O-CG 3.31Å; L834-K838 PolarHBondContact O-N 3.21Å; E835-K838 WeakPolarHBondContact O-CB 3.5Å; E835-K838 PolarHBondContact O-N 3.13Å; E835-K838 IonicContact OE1-NZ 2.7Å; E835-K838 PolarHBondContact OE1-NZ 3.34Å; K838-T842 WeakPolarHBondContact O-CB 3.27Å; K838-T842 PolarHBondContact O-N 2.96Å; K838-T842 PolarHBondContact O-OG1 2.9Å; K838-H848 VanDerWaalsContact CE-ND1 3.33Å; K838-H848 WeakPolarHBondContact CE-ND1 3.49Å; K838-H848 HydrophobicContact CG-CB 3.71Å |
| 839 | R | 87.1 | Confident | 86.9 | Confident | 174 Ų | 174 | 95.7 Ų | 95.7 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175 | -70.8 | 169.3 | -171.6 | -83.6 | 1.4 | 111.6 | E835 D836 T842 M843 | E835-R839 WeakPolarHBondContact O-CG 3.43Å; E835-R839 PolarHBondContact O-N 2.81Å; D836-R839 PolarHBondContact O-N 3.19Å; D836-R839 IonicContact OD1-NE 3.68Å; R839-T842 WeakPolarHBondContact O-CB 3.48Å; R839-T842 PolarHBondContact O-N 2.81Å; R839-M843 PolarHBondContact O-N 3.36Å; R839-M843 VanDerWaalsContact O-N 3.11Å |
| 840 | F | 91.7 | Very high | 87.1 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 54% | 0.544 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 177.6 | 179 | -95.1 | 0 | 0 | 0 | 112.2 | D836 K837 T842 M843 F844 | D836-F840 WeakPolarHBondContact O-CB 3.33Å; D836-F840 PolarHBondContact O-N 3.43Å; K837-F840 PolarHBondContact O-N 2.91Å; F840-T842 VanDerWaalsContact C-N 3.26Å; F840-T842 PolarHBondContact O-N 3.32Å; F840-M843 WeakPolarHBondContact O-CB 3.5Å; F840-M843 PolarHBondContact O-N 3.23Å; F840-M843 VanDerWaalsContact O-N 3.1Å; F840-F844 HydrophobicContact CD1-CE2 4.37Å; F840-F844 HydrophobicContact CD2-CE2 4.35Å; F840-F844 HydrophobicContact CE1-CD2 4.27Å; F840-F844 AromaticContact CE1-CE2 3.85Å; F840-F844 HydrophobicContact CE1-CE2 3.85Å; F840-F844 AromaticContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CZ-CD2 4.41Å; F840-F844 AromaticContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CZ 4.29Å; F840-F844 WeakPolarHBondContact O-CD2 3.28Å |
| 841 | L | 90 | Very high | 87.3 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 29% | 0.288 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 173.4 | -73.6 | 169 | 0 | 0 | 0 | 111.7 | K837 M843 F844 K845 L846 H848 | K837-L841 WeakPolarHBondContact O-CB 3.43Å; K837-L841 VanDerWaalsContact O-CG 3.32Å; K837-L841 WeakPolarHBondContact O-CG 3.4Å; K837-L841 PolarHBondContact O-N 3.13Å; L841-M843 VanDerWaalsContact C-N 3.27Å; L841-M843 PolarHBondContact O-N 2.82Å; L841-F844 CarbonylContact O-C 3.59Å; L841-F844 PolarHBondContact O-N 3.42Å; L841-K845 PolarHBondContact O-N 3.28Å; L841-L846 CarbonylContact C-O 3.59Å; L841-L846 HydrophobicContact CB-CB 4.19Å; L841-L846 WeakPolarHBondContact CB-O 3.49Å; L841-L846 HydrophobicContact CD2-CB 4.13Å; L841-L846 HydrophobicContact CD2-CD1 4.13Å; L841-L846 PolarHBondContact O-N 3.15Å; L841-H848 HydrophobicContact CD1-CB 4.43Å |
| 842 | T | 90.6 | Very high | 87.4 | Confident | 93 Ų | 93 | 94 Ų | 94 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.8 | -32.9 | 178 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | K838 R839 F840 F844 K845 L846 | K838-T842 WeakPolarHBondContact O-CB 3.27Å; K838-T842 PolarHBondContact O-N 2.96Å; K838-T842 PolarHBondContact O-OG1 2.9Å; R839-T842 WeakPolarHBondContact O-CB 3.48Å; R839-T842 PolarHBondContact O-N 2.81Å; F840-T842 VanDerWaalsContact C-N 3.26Å; F840-T842 PolarHBondContact O-N 3.32Å; T842-F844 PolarHBondContact O-N 3.13Å; T842-K845 WeakPolarHBondContact O-CA 3.28Å; T842-K845 PolarHBondContact O-N 3.31Å; T842-L846 PolarHBondContact N-O 3.29Å |
| 843 | M | 90.6 | Very high | 87.7 | Confident | 102 Ų | 102 | 92.3 Ų | 92.3 | 50% | 0.502 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -31.9 | 174.3 | -63.9 | 170.2 | 60.9 | 0 | 0 | 112.6 | C319 R839 F840 L841 K845 | C319-M843 HydrophobicContact CB-CE 3.89Å; R839-M843 PolarHBondContact O-N 3.36Å; R839-M843 VanDerWaalsContact O-N 3.11Å; F840-M843 WeakPolarHBondContact O-CB 3.5Å; F840-M843 PolarHBondContact O-N 3.23Å; F840-M843 VanDerWaalsContact O-N 3.1Å; L841-M843 VanDerWaalsContact C-N 3.27Å; L841-M843 PolarHBondContact O-N 2.82Å; M843-K845 VanDerWaalsContact C-N 3.3Å |
| 844 | F | 90.6 | Very high | 87.7 | Confident | 125 Ų | 125 | 90.1 Ų | 90.1 | 55% | 0.548 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.3 | 174.2 | -64 | -82.7 | 0 | 0 | 0 | 113.2 | F840 L841 T842 L846 | F840-F844 HydrophobicContact CD1-CE2 4.37Å; F840-F844 HydrophobicContact CD2-CE2 4.35Å; F840-F844 HydrophobicContact CE1-CD2 4.27Å; F840-F844 AromaticContact CE1-CE2 3.85Å; F840-F844 HydrophobicContact CE1-CE2 3.85Å; F840-F844 AromaticContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CE2-CE2 3.83Å; F840-F844 HydrophobicContact CZ-CD2 4.41Å; F840-F844 AromaticContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CE2 3.56Å; F840-F844 HydrophobicContact CZ-CZ 4.29Å; F840-F844 WeakPolarHBondContact O-CD2 3.28Å; L841-F844 CarbonylContact O-C 3.59Å; L841-F844 PolarHBondContact O-N 3.42Å; T842-F844 PolarHBondContact O-N 3.13Å; F844-L846 HydrophobicContact CB-CD1 4.28Å; F844-L846 HydrophobicContact CB-CG 4.19Å; F844-L846 PolarHBondContact O-N 3.05Å |
| 845 | K | 87.1 | Confident | 87.7 | Confident | 149 Ų | 149 | 93.5 Ų | 93.5 | 65% | 0.648 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 28.1 | -173.1 | -54.5 | -169.5 | 177.4 | -171.1 | 0 | 113.9 | F323 L841 T842 M843 | F323-K845 HydrophobicContact CE2-CD 4.18Å; F323-K845 VanDerWaalsContact CE2-CE 3.48Å; F323-K845 HydrophobicContact CZ-CD 4.41Å; L841-K845 PolarHBondContact O-N 3.28Å; T842-K845 WeakPolarHBondContact O-CA 3.28Å; T842-K845 PolarHBondContact O-N 3.31Å; M843-K845 VanDerWaalsContact C-N 3.3Å |
| 846 | L | 87.6 | Confident | 87.6 | Confident | 101 Ų | 101 | 91.3 Ų | 91.3 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 138.9 | 173.5 | -58 | 178.4 | 0 | 0 | 0 | 110 | L841 T842 F844 | L841-L846 CarbonylContact C-O 3.59Å; L841-L846 HydrophobicContact CB-CB 4.19Å; L841-L846 WeakPolarHBondContact CB-O 3.49Å; L841-L846 HydrophobicContact CD2-CB 4.13Å; L841-L846 HydrophobicContact CD2-CD1 4.13Å; L841-L846 PolarHBondContact O-N 3.15Å; T842-L846 PolarHBondContact N-O 3.29Å; F844-L846 HydrophobicContact CB-CD1 4.28Å; F844-L846 HydrophobicContact CB-CG 4.19Å; F844-L846 PolarHBondContact O-N 3.05Å |
| 847 | S | 87.3 | Confident | 87.5 | Confident | 101 Ų | 101 | 90.9 Ų | 90.9 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 148.9 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 848 | H | 87.5 | Confident | 87.5 | Confident | 49 Ų | 49 | 91.8 Ų | 91.8 | 23% | 0.227 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 127.8 | 167.4 | 171.8 | -111.4 | 0 | 0 | 0 | 109.5 | D829 K838 L841 | D829-H848 IonicContact OD1-CD2 2.87Å; D829-H848 IonicContact OD1-CE1 3.72Å; D829-H848 PolarHBondContact OD1-CE1 3.11Å; D829-H848 VanDerWaalsContact OD1-CE1 3.3Å; D829-H848 IonicContact OD1-NE2 2.76Å; D829-H848 PolarHBondContact OD1-NE2 2.86Å; K838-H848 VanDerWaalsContact CE-ND1 3.33Å; K838-H848 WeakPolarHBondContact CE-ND1 3.49Å; K838-H848 HydrophobicContact CG-CB 3.71Å; L841-H848 HydrophobicContact CD1-CB 4.43Å |
| 849 | V | 87.8 | Confident | 87.4 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | trans | -88.7 | 112.3 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | E853 R854 | V849-E853 HydrophobicContact CG1-CB 3.96Å; V849-R854 PolarHBondContact O-NH2 3.33Å | ||
| 850 | T | 85.6 | Confident | 87.3 | Confident | 56 Ų | 56 | 88 Ų | 88 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | trans | -68 | 158.6 | -177.9 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | Q852 E853 R854 | T850-Q852 PolarHBondContact O-N 2.81Å; T850-Q852 VanDerWaalsContact O-N 3.15Å; T850-E853 VanDerWaalsContact CB-OE2 3.3Å; T850-E853 WeakPolarHBondContact CB-OE2 3.41Å; T850-E853 WeakPolarHBondContact CG2-OE2 3.29Å; T850-E853 PolarHBondContact N-OE2 3.03Å; T850-E853 PolarHBondContact O-N 2.78Å; T850-E853 VanDerWaalsContact O-N 3.13Å; T850-E853 VanDerWaalsContact OG1-CD 3.29Å; T850-E853 WeakPolarHBondContact OG1-CG 3.38Å; T850-E853 PolarHBondContact OG1-N 2.9Å; T850-E853 PolarHBondContact OG1-OE2 3.45Å; T850-R854 WeakPolarHBondContact O-CB 3.37Å; T850-R854 PolarHBondContact O-N 3.29Å | ||
| 851 | V | 85.1 | Confident | 87.1 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -54.6 | -32.2 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | D829 K855 | D829-V851 HydrophobicContact CB-CG2 4.44Å; D829-V851 VanDerWaalsContact OD2-CG2 3.23Å; D829-V851 WeakPolarHBondContact OD2-CG2 3.32Å; V851-K855 HydrophobicContact CG1-CD 4.44Å; V851-K855 WeakPolarHBondContact O-CG 3.41Å; V851-K855 PolarHBondContact O-N 3.3Å |
| 852 | Q | 83.9 | Confident | 87 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.4 | -49.2 | 176.7 | 179 | 59.5 | 35 | 0 | 0 | 111.2 | T850 R854 K855 D856 | T850-Q852 PolarHBondContact O-N 2.81Å; T850-Q852 VanDerWaalsContact O-N 3.15Å; Q852-R854 VanDerWaalsContact C-N 3.27Å; Q852-R854 PolarHBondContact O-N 3.39Å; Q852-K855 PolarHBondContact O-N 3.33Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; Q852-D856 PolarHBondContact NE2-OD1 2.94Å; Q852-D856 PolarHBondContact NE2-OD2 3.31Å; Q852-D856 PolarHBondContact O-N 3.29Å |
| 853 | E | 84.4 | Confident | 86.7 | Confident | 90 Ų | 90 | 87.4 Ų | 87.4 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 177.2 | -68.9 | 158.7 | 137.3 | 0 | 0 | 111.7 | V849 T850 D856 N857 | V849-E853 HydrophobicContact CG1-CB 3.96Å; T850-E853 VanDerWaalsContact CB-OE2 3.3Å; T850-E853 WeakPolarHBondContact CB-OE2 3.41Å; T850-E853 WeakPolarHBondContact CG2-OE2 3.29Å; T850-E853 PolarHBondContact N-OE2 3.03Å; T850-E853 PolarHBondContact O-N 2.78Å; T850-E853 VanDerWaalsContact O-N 3.13Å; T850-E853 VanDerWaalsContact OG1-CD 3.29Å; T850-E853 WeakPolarHBondContact OG1-CG 3.38Å; T850-E853 PolarHBondContact OG1-N 2.9Å; T850-E853 PolarHBondContact OG1-OE2 3.45Å; E853-D856 PolarHBondContact O-N 3.39Å; E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 2.98Å; E853-N857 PolarHBondContact O-ND2 2.85Å |
| 854 | R | 84.2 | Confident | 86.4 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 24% | 0.238 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 172.4 | -166.7 | 177.4 | -57 | 137.4 | 12 | 111 | P825 E826 D829 V849 T850 Q852 N857 E858 | P825-R854 VanDerWaalsContact CB-NH1 3.33Å; E826-R854 IonicContact OE1-CZ 3.23Å; E826-R854 IonicContact OE1-NH1 3.74Å; E826-R854 PolarHBondContact OE1-NH1 3.42Å; D829-R854 IonicContact OD1-NH2 2.73Å; D829-R854 IonicContact OD2-CZ 2.69Å; D829-R854 VanDerWaalsContact OD2-CZ 3.31Å; D829-R854 IonicContact OD2-NH1 3.31Å; D829-R854 PolarHBondContact OD2-NH1 3.09Å; D829-R854 IonicContact OD2-NH2 3.81Å; D829-R854 PolarHBondContact OD2-NH2 3.33Å; V849-R854 PolarHBondContact O-NH2 3.33Å; T850-R854 WeakPolarHBondContact O-CB 3.37Å; T850-R854 PolarHBondContact O-N 3.29Å; Q852-R854 VanDerWaalsContact C-N 3.27Å; Q852-R854 PolarHBondContact O-N 3.39Å; R854-N857 PolarHBondContact O-N 3.31Å; R854-E858 WeakPolarHBondContact O-CB 3.33Å; R854-E858 PolarHBondContact O-N 2.87Å |
| 855 | K | 86 | Confident | 86.2 | Confident | 92 Ų | 92 | 86.4 Ų | 86.4 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.8 | -32.2 | 177.4 | -70.6 | 174.6 | -179.8 | -177.2 | 0 | 113.6 | V851 Q852 R859 | V851-K855 HydrophobicContact CG1-CD 4.44Å; V851-K855 WeakPolarHBondContact O-CG 3.41Å; V851-K855 PolarHBondContact O-N 3.3Å; Q852-K855 PolarHBondContact O-N 3.33Å; Q852-K855 VanDerWaalsContact O-N 3.16Å; K855-R859 WeakPolarHBondContact O-CB 3.47Å; K855-R859 WeakPolarHBondContact O-CD 3.32Å; K855-R859 WeakPolarHBondContact O-CG 3.31Å; K855-R859 PolarHBondContact O-N 3.13Å |
| 856 | D | 85.4 | Confident | 86 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 175.6 | -69.5 | -29.1 | 0 | 0 | 0 | 111.5 | Q852 E853 R859 V860 | Q852-D856 PolarHBondContact NE2-OD1 2.94Å; Q852-D856 PolarHBondContact NE2-OD2 3.31Å; Q852-D856 PolarHBondContact O-N 3.29Å; E853-D856 PolarHBondContact O-N 3.39Å; D856-R859 IonicContact OD1-CZ 3.61Å; D856-R859 IonicContact OD1-NH1 3.83Å; D856-R859 PolarHBondContact OD1-NH1 3.18Å; D856-V860 VanDerWaalsContact O-CG2 3.3Å; D856-V860 WeakPolarHBondContact O-CG2 3.35Å; D856-V860 PolarHBondContact O-N 3.37Å |
| 857 | N | 86.7 | Confident | 85.8 | Confident | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 169.7 | -78.7 | -78.2 | 0 | 0 | 0 | 111.9 | E853 R854 V860 V861 | E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 2.98Å; E853-N857 PolarHBondContact O-ND2 2.85Å; R854-N857 PolarHBondContact O-N 3.31Å; N857-V860 PolarHBondContact O-N 3.22Å; N857-V860 VanDerWaalsContact O-N 3.16Å; N857-V861 WeakPolarHBondContact O-CG2 3.27Å; N857-V861 PolarHBondContact O-N 2.75Å |
| 858 | E | 88.6 | Confident | 85.6 | Confident | 115 Ų | 115 | 82.3 Ų | 82.3 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.9 | -51 | 175 | -173.2 | 170.1 | -136.9 | 0 | 0 | 111.2 | R854 V860 V861 E862 | R854-E858 WeakPolarHBondContact O-CB 3.33Å; R854-E858 PolarHBondContact O-N 2.87Å; E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 3.46Å; E858-V861 PolarHBondContact O-N 3.38Å; E858-E862 WeakPolarHBondContact O-CG 3.19Å; E858-E862 PolarHBondContact O-N 3.08Å |
| 859 | R | 87.5 | Confident | 85.6 | Confident | 114 Ų | 114 | 85.7 Ų | 85.7 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.6 | -36.9 | 173.1 | -70.7 | 162.1 | -174.1 | 135.5 | 6 | 113.5 | K855 D856 L863 | K855-R859 WeakPolarHBondContact O-CB 3.47Å; K855-R859 WeakPolarHBondContact O-CD 3.32Å; K855-R859 WeakPolarHBondContact O-CG 3.31Å; K855-R859 PolarHBondContact O-N 3.13Å; D856-R859 IonicContact OD1-CZ 3.61Å; D856-R859 IonicContact OD1-NH1 3.83Å; D856-R859 PolarHBondContact OD1-NH1 3.18Å; R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 PolarHBondContact O-N 3.16Å |
| 860 | V | 86 | Confident | 85.2 | Confident | 44 Ų | 44 | 91.1 Ų | 91.1 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 176.3 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | D856 N857 E858 L863 L864 L884 | D856-V860 VanDerWaalsContact O-CG2 3.3Å; D856-V860 WeakPolarHBondContact O-CG2 3.35Å; D856-V860 PolarHBondContact O-N 3.37Å; N857-V860 PolarHBondContact O-N 3.22Å; N857-V860 VanDerWaalsContact O-N 3.16Å; E858-V860 VanDerWaalsContact C-N 3.29Å; E858-V860 PolarHBondContact O-N 3.46Å; V860-L863 PolarHBondContact O-N 3.46Å; V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.46Å; V860-L864 WeakPolarHBondContact O-CB 3.33Å; V860-L864 WeakPolarHBondContact O-CG 3.21Å; V860-L864 PolarHBondContact O-N 2.84Å; V860-L884 HydrophobicContact CG2-CB 4.5Å; V860-L884 HydrophobicContact CG2-CD2 4.41Å |
| 861 | V | 87.6 | Confident | 84.7 | Confident | 91 Ų | 91 | 92.4 Ų | 92.4 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.7 | -44.3 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | N857 E858 L863 L864 Q865 | N857-V861 WeakPolarHBondContact O-CG2 3.27Å; N857-V861 PolarHBondContact O-N 2.75Å; E858-V861 PolarHBondContact O-N 3.38Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 2.62Å; V861-L864 PolarHBondContact O-N 3.35Å; V861-Q865 WeakPolarHBondContact O-CB 3.35Å; V861-Q865 PolarHBondContact O-N 2.87Å |
| 862 | E | 87.3 | Confident | 84.3 | Confident | 123 Ų | 123 | 91.9 Ų | 91.9 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56.9 | -46.8 | 172.2 | -70.7 | 179.4 | 145.3 | 0 | 0 | 111.4 | E858 Q865 A866 | E858-E862 WeakPolarHBondContact O-CG 3.19Å; E858-E862 PolarHBondContact O-N 3.08Å; E862-Q865 PolarHBondContact O-N 3.3Å; E862-A866 WeakPolarHBondContact O-CB 3.25Å; E862-A866 PolarHBondContact O-N 3.23Å |
| 863 | L | 83.9 | Confident | 83.7 | Confident | 45 Ų | 45 | 90.9 Ų | 90.9 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.8 | 178.8 | 60.3 | 0 | 0 | 0 | 112.2 | R859 V860 V861 Q865 A866 I867 V872 I877 L884 | R859-L863 WeakPolarHBondContact O-CB 3.25Å; R859-L863 PolarHBondContact O-N 3.16Å; V860-L863 PolarHBondContact O-N 3.46Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 2.62Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.83Å; L863-A866 PolarHBondContact O-N 3.2Å; L863-I867 HydrophobicContact CD1-CD1 4.12Å; L863-I867 HydrophobicContact CD1-CG1 4.37Å; L863-I867 HydrophobicContact CG-CD1 3.98Å; L863-I867 WeakPolarHBondContact O-CB 3.21Å; L863-I867 WeakPolarHBondContact O-CD1 3.46Å; L863-I867 WeakPolarHBondContact O-CG1 3.48Å; L863-I867 PolarHBondContact O-N 2.86Å; L863-V872 HydrophobicContact CD1-CG1 3.94Å; L863-V872 HydrophobicContact CD1-CG2 4.25Å; L863-I877 HydrophobicContact CD1-CG1 4.45Å; L863-L884 HydrophobicContact CD2-CD1 3.8Å |
| 864 | L | 84.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.3 | -37.2 | 175.5 | -75 | 167.8 | 0 | 0 | 0 | 111.8 | V860 V861 K868 | V860-L864 HydrophobicContact CG1-CD1 3.96Å; V860-L864 HydrophobicContact CG1-CG 4.46Å; V860-L864 WeakPolarHBondContact O-CB 3.33Å; V860-L864 WeakPolarHBondContact O-CG 3.21Å; V860-L864 PolarHBondContact O-N 2.84Å; V861-L864 PolarHBondContact O-N 3.35Å; L864-K868 WeakPolarHBondContact O-CB 3.28Å; L864-K868 PolarHBondContact O-N 3.5Å |
| 865 | Q | 85.7 | Confident | 81.9 | Confident | 101 Ų | 101 | 94.1 Ų | 94.1 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 173.8 | -179.2 | 158.5 | -19.2 | 0 | 0 | 111.7 | V861 E862 L863 I867 K868 E869 | V861-Q865 WeakPolarHBondContact O-CB 3.35Å; V861-Q865 PolarHBondContact O-N 2.87Å; E862-Q865 PolarHBondContact O-N 3.3Å; L863-Q865 VanDerWaalsContact C-N 3.32Å; L863-Q865 PolarHBondContact O-N 2.83Å; Q865-I867 VanDerWaalsContact C-N 3.33Å; Q865-I867 PolarHBondContact O-N 2.84Å; Q865-K868 CarbonylContact O-C 3.55Å; Q865-K868 WeakPolarHBondContact O-CB 3.34Å; Q865-K868 PolarHBondContact O-N 3.27Å; Q865-K868 VanDerWaalsContact O-N 3.15Å; Q865-E869 HydrophobicContact CG-CG 4.41Å; Q865-E869 WeakPolarHBondContact CG-OE1 3.46Å; Q865-E869 PolarHBondContact NE2-OE1 2.82Å; Q865-E869 WeakPolarHBondContact O-CB 3.38Å; Q865-E869 WeakPolarHBondContact O-CG 3.44Å; Q865-E869 PolarHBondContact O-N 3.23Å |
| 866 | A | 84.2 | Confident | 81 | Confident | 20 Ų | 20 | 93.8 Ų | 93.8 | 17% | 0.165 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.5 | -35 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E862 L863 E869 K870 S871 V872 | E862-A866 WeakPolarHBondContact O-CB 3.25Å; E862-A866 PolarHBondContact O-N 3.23Å; L863-A866 PolarHBondContact O-N 3.2Å; A866-E869 CarbonylContact O-C 3.55Å; A866-E869 PolarHBondContact O-N 2.85Å; A866-K870 PolarHBondContact O-N 3.5Å; A866-S871 WeakPolarHBondContact CA-OG 3.45Å; A866-S871 WeakPolarHBondContact CB-OG 3.41Å; A866-S871 PolarHBondContact O-N 2.92Å; A866-S871 PolarHBondContact O-OG 3.44Å; A866-S871 VanDerWaalsContact O-OG 3.11Å; A866-V872 HydrophobicContact CB-CB 4.34Å; A866-V872 HydrophobicContact CB-CG2 3.59Å |
| 867 | I | 83.1 | Confident | 80 | Confident | 75 Ų | 75 | 94.8 Ų | 94.8 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 170.8 | -71.3 | 164.2 | 0 | 0 | 0 | 110.8 | L863 Q865 E869 K870 V872 I877 | L863-I867 HydrophobicContact CD1-CD1 4.12Å; L863-I867 HydrophobicContact CD1-CG1 4.37Å; L863-I867 HydrophobicContact CG-CD1 3.98Å; L863-I867 WeakPolarHBondContact O-CB 3.21Å; L863-I867 WeakPolarHBondContact O-CD1 3.46Å; L863-I867 WeakPolarHBondContact O-CG1 3.48Å; L863-I867 PolarHBondContact O-N 2.86Å; Q865-I867 VanDerWaalsContact C-N 3.33Å; Q865-I867 PolarHBondContact O-N 2.84Å; I867-E869 VanDerWaalsContact C-N 3.31Å; I867-E869 PolarHBondContact O-N 3.28Å; I867-K870 PolarHBondContact O-N 2.72Å; I867-K870 VanDerWaalsContact O-N 3.07Å; I867-V872 HydrophobicContact CG1-CB 4.4Å; I867-V872 HydrophobicContact CG1-CG1 4.28Å; I867-I877 HydrophobicContact CD1-CD1 3.85Å; I867-I877 HydrophobicContact CG1-CD1 4.23Å |
| 868 | K | 82.8 | Confident | 79 | Confident | 170 Ų | 170 | 98.8 Ų | 98.8 | 74% | 0.739 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 175.7 | 177.6 | -170.1 | 173.7 | -166.3 | 0 | 112.3 | L864 Q865 K870 | L864-K868 WeakPolarHBondContact O-CB 3.28Å; L864-K868 PolarHBondContact O-N 3.5Å; Q865-K868 CarbonylContact O-C 3.55Å; Q865-K868 WeakPolarHBondContact O-CB 3.34Å; Q865-K868 PolarHBondContact O-N 3.27Å; Q865-K868 VanDerWaalsContact O-N 3.15Å; K868-K870 VanDerWaalsContact C-N 3.27Å |
| 869 | E | 87.7 | Confident | 77.5 | Confident | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -4.3 | 175.5 | -69.6 | 172.1 | -166.2 | 0 | 0 | 113.1 | Q865 A866 I867 S871 | Q865-E869 HydrophobicContact CG-CG 4.41Å; Q865-E869 WeakPolarHBondContact CG-OE1 3.46Å; Q865-E869 PolarHBondContact NE2-OE1 2.82Å; Q865-E869 WeakPolarHBondContact O-CB 3.38Å; Q865-E869 WeakPolarHBondContact O-CG 3.44Å; Q865-E869 PolarHBondContact O-N 3.23Å; A866-E869 CarbonylContact O-C 3.55Å; A866-E869 PolarHBondContact O-N 2.85Å; I867-E869 VanDerWaalsContact C-N 3.31Å; I867-E869 PolarHBondContact O-N 3.28Å; E869-S871 PolarHBondContact O-N 3.38Å |
| 870 | K | 79.2 | Confident | 76.2 | Confident | 186 Ų | 186 | 96.8 Ų | 96.8 | 81% | 0.809 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 22.9 | -179.7 | -50.4 | 177 | -176.2 | 175.9 | 0 | 114.3 | A866 I867 K868 | A866-K870 PolarHBondContact O-N 3.5Å; I867-K870 PolarHBondContact O-N 2.72Å; I867-K870 VanDerWaalsContact O-N 3.07Å; K868-K870 VanDerWaalsContact C-N 3.27Å |
| 871 | S | 75.6 | Confident | 74.7 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | trans | -85.3 | -9.5 | 179 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | A866 E869 | A866-S871 WeakPolarHBondContact CA-OG 3.45Å; A866-S871 WeakPolarHBondContact CB-OG 3.41Å; A866-S871 PolarHBondContact O-N 2.92Å; A866-S871 PolarHBondContact O-OG 3.44Å; A866-S871 VanDerWaalsContact O-OG 3.11Å; E869-S871 PolarHBondContact O-N 3.38Å | ||
| 872 | V | 75.9 | Confident | 73.1 | Confident | 38 Ų | 38 | 103 Ų | 103 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -112.2 | 137.4 | 177 | 163.4 | 0 | 0 | 0 | 0 | 111.3 | L863 A866 I867 I877 | L863-V872 HydrophobicContact CD1-CG1 3.94Å; L863-V872 HydrophobicContact CD1-CG2 4.25Å; A866-V872 HydrophobicContact CB-CB 4.34Å; A866-V872 HydrophobicContact CB-CG2 3.59Å; I867-V872 HydrophobicContact CG1-CB 4.4Å; I867-V872 HydrophobicContact CG1-CG1 4.28Å; V872-I877 HydrophobicContact CG1-CD1 4Å; V872-I877 HydrophobicContact CG1-CG1 3.69Å |
| 873 | T | 72.2 | Confident | 71.3 | Confident | 81 Ų | 81 | 102.8 Ų | 102.8 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | trans | -101.4 | 163.7 | 177 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | D875 T876 I877 | T873-D875 PolarHBondContact O-N 2.9Å; T873-T876 WeakPolarHBondContact O-CB 3.34Å; T873-T876 PolarHBondContact O-N 3.44Å; T873-T876 PolarHBondContact OG1-OG1 2.89Å; T873-I877 PolarHBondContact O-N 3.35Å | ||
| 874 | L | 65.5 | Low | 70 | Confident | 137 Ų | 137 | 104.5 Ų | 104.5 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.4 | -33.5 | 178.8 | -84.4 | 162.1 | 0 | 0 | 0 | 113.4 | I877 R878 | L874-I877 PolarHBondContact O-N 2.83Å; L874-R878 WeakPolarHBondContact O-CB 3.5Å; L874-R878 PolarHBondContact O-N 3.44Å |
| 875 | D | 64.3 | Low | 67.9 | Low | 84 Ų | 84 | 105 Ų | 105 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -75.6 | -32.6 | 179.4 | -60.8 | -55.3 | 0 | 0 | 0 | 112.1 | T873 I877 R878 H879 | T873-D875 PolarHBondContact O-N 2.9Å; D875-I877 VanDerWaalsContact C-N 3.27Å; D875-I877 PolarHBondContact O-N 3.19Å; D875-R878 PolarHBondContact O-N 3.33Å; D875-R878 IonicContact OD1-NH1 2.79Å; D875-H879 PolarHBondContact O-CD2 2.79Å; D875-H879 PolarHBondContact O-N 2.8Å |
| 876 | T | 67.3 | Low | 65.9 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.3 | -39 | 171.6 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | T873 | T873-T876 WeakPolarHBondContact O-CB 3.34Å; T873-T876 PolarHBondContact O-N 3.44Å; T873-T876 PolarHBondContact OG1-OG1 2.89Å |
| 877 | I | 65.7 | Low | 63.6 | Low | 74 Ų | 74 | 113.5 Ų | 113.5 | 38% | 0.379 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.8 | -39.9 | 175.7 | -58.7 | 170.8 | 0 | 0 | 0 | 110.7 | L863 I867 V872 T873 L874 D875 H879 A880 | L863-I877 HydrophobicContact CD1-CG1 4.45Å; I867-I877 HydrophobicContact CD1-CD1 3.85Å; I867-I877 HydrophobicContact CG1-CD1 4.23Å; V872-I877 HydrophobicContact CG1-CD1 4Å; V872-I877 HydrophobicContact CG1-CG1 3.69Å; T873-I877 PolarHBondContact O-N 3.35Å; L874-I877 PolarHBondContact O-N 2.83Å; D875-I877 VanDerWaalsContact C-N 3.27Å; D875-I877 PolarHBondContact O-N 3.19Å; I877-H879 VanDerWaalsContact C-N 3.27Å; I877-H879 PolarHBondContact O-N 2.88Å; I877-A880 PolarHBondContact O-N 2.83Å |
| 878 | R | 64.6 | Low | 61.2 | Low | 183 Ų | 183 | 115.5 Ų | 115.5 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.6 | -24.1 | 179.3 | -172.6 | 177.6 | -71.8 | 171.1 | -4.3 | 113.8 | L874 D875 | L874-R878 WeakPolarHBondContact O-CB 3.5Å; L874-R878 PolarHBondContact O-N 3.44Å; D875-R878 PolarHBondContact O-N 3.33Å; D875-R878 IonicContact OD1-NH1 2.79Å |
| 879 | H | 57 | Low | 59 | Low | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 14.3 | -178.1 | -63.3 | -53.1 | 0 | 0 | 0 | 114.4 | D875 I877 | D875-H879 PolarHBondContact O-CD2 2.79Å; D875-H879 PolarHBondContact O-N 2.8Å; I877-H879 VanDerWaalsContact C-N 3.27Å; I877-H879 PolarHBondContact O-N 2.88Å |
| 880 | A | 61 | Low | 56.2 | Low | 46 Ų | 46 | 111.3 Ų | 111.3 | 38% | 0.38 | 63% | 0.626 | S | S | . | * | trans | -63.2 | 126.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I877 H882 | I877-A880 PolarHBondContact O-N 2.83Å; A880-H882 VanDerWaalsContact C-N 3.26Å; A880-H882 PolarHBondContact O-N 3.45Å | ||
| 881 | P | 53.1 | Low | 53.9 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -76.3 | -4.3 | -168.7 | 29.6 | -36.7 | 0 | 0 | 0 | 115.2 | ||
| 882 | H | 53.7 | Low | 51.7 | Low | 145 Ų | 145 | 113 Ų | 113 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -134.3 | 139.8 | -179.2 | -66.2 | -17.1 | 0 | 0 | 0 | 110.9 | A880 L884 | A880-H882 VanDerWaalsContact C-N 3.26Å; A880-H882 PolarHBondContact O-N 3.45Å; H882-L884 PolarHBondContact O-N 2.94Å; H882-L884 VanDerWaalsContact O-N 3.16Å |
| 883 | P | 50.8 | Low | 49.4 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -71.7 | 108.6 | 178 | 28.8 | -33.6 | 0 | 0 | 0 | 110.8 | C885 | P883-C885 PolarHBondContact O-N 3.1Š| ||
| 884 | L | 55.9 | Low | 47.2 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 42% | 0.419 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -71.5 | 12.5 | -173.6 | -68.2 | 170 | 0 | 0 | 0 | 115.4 | V860 L863 H882 | V860-L884 HydrophobicContact CG2-CB 4.5Å; V860-L884 HydrophobicContact CG2-CD2 4.41Å; L863-L884 HydrophobicContact CD2-CD1 3.8Å; H882-L884 PolarHBondContact O-N 2.94Å; H882-L884 VanDerWaalsContact O-N 3.16Å |
| 885 | C | 40.8 | Very low | 45.8 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -139.9 | 109.5 | 173.9 | -69.8 | 0 | 0 | 0 | 0 | 111 | P883 | P883-C885 PolarHBondContact O-N 3.1Š| ||
| 886 | K | 43.7 | Very low | 44 | Very low | 197 Ų | 197 | 118.6 Ų | 118.6 | 86% | 0.857 | 69% | 0.688 | S | S | * | * | trans | -90.7 | 101.7 | 159.6 | -71.2 | 178.9 | -178.3 | 171.5 | 0 | 108.4 | ||||
| 887 | S | 35.1 | Very low | 42.1 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.8 | 164 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 888 | P | 33.5 | Very low | 40.4 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.3 | 177.9 | -25.5 | 34.5 | 0 | 0 | 0 | 111.9 | A890 | P888-A890 PolarHBondContact O-N 2.95Š|
| 889 | P | 36.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 125.9 | 175.9 | 28 | -33.3 | 0 | 0 | 0 | 109.8 | H891 | P889-H891 PolarHBondContact O-N 3.22Š|
| 890 | A | 29.1 | Very low | 37.1 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P888 V892 | P888-A890 PolarHBondContact O-N 2.95Å; A890-V892 VanDerWaalsContact C-N 3.3Å; A890-V892 PolarHBondContact O-N 3.08Å |
| 891 | H | 30.1 | Very low | 35.2 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -70.1 | 86.4 | 171.9 | -92.8 | -82.5 | 0 | 0 | 0 | 110.4 | P889 | P889-H891 PolarHBondContact O-N 3.22Š| ||
| 892 | V | 29.9 | Very low | 33.9 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -89.9 | 103.1 | 163.3 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | A890 | A890-V892 VanDerWaalsContact C-N 3.3Å; A890-V892 PolarHBondContact O-N 3.08Å | ||
| 893 | S | 28.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -107.7 | 87.4 | 178.7 | -64.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 894 | D | 25 | Very low | 31.3 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -145.4 | 103.4 | 173.2 | -160.9 | 5.2 | 0 | 0 | 0 | 110.2 | ||||
| 895 | P | 37 | Very low | 29.9 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -118 | 99 | -171.4 | 36.8 | -24.3 | 0 | 0 | 0 | 113.7 | ||||
| 896 | A | 27.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -151 | 106.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 897 | F | 27.4 | Very low | 28.5 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | 61.9 | 145.6 | 169.3 | -67 | -96.2 | 0 | 0 | 0 | 116.5 | ||||
| 898 | T | 28.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | cis | -138.9 | 156.4 | 16.2 | -15.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 899 | Q | 26.9 | Very low | 27.8 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 149.5 | 163.4 | -62 | 169.2 | -93.5 | 0 | 0 | 110.5 | ||||
| 900 | H | 25 | Very low | 27.4 | Very low | 199 Ų | 199 | 138 Ų | 138 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -148.5 | 148.5 | 135.9 | -97.4 | -75.9 | 0 | 0 | 0 | 108.5 | ||||
| 901 | S | 22.3 | Very low | 27.3 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -126.2 | 155.4 | -166.2 | -55 | 0 | 0 | 0 | 0 | 113 | ||||
| 902 | S | 25 | Very low | 27.3 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | 75.1 | 149.5 | 147.2 | -60.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 903 | E | 23.6 | Very low | 27.1 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | 61.9 | 146.9 | 153.6 | -68.9 | 149.4 | 136.7 | 0 | 0 | 117.4 | ||||
| 904 | S | 27.9 | Very low | 27 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | -179.9 | 178.4 | -23 | 64.7 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 905 | E | 26 | Very low | 28.3 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | cis | -164.4 | 149.4 | 3.7 | -137.9 | 154.7 | 125.4 | 0 | 0 | 105.6 | ||||
| 906 | D | 25.1 | Very low | 28.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | -159.8 | 92.3 | 156.6 | -121.8 | -23.9 | 0 | 0 | 0 | 115.5 | ||||
| 907 | H | 28.6 | Very low | 28.8 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 53.6 | 175.3 | 140.9 | -63.4 | 96.2 | 0 | 0 | 0 | 122 | ||||
| 908 | H | 29.3 | Very low | 28.7 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | -137.8 | 148.1 | -151.1 | -51.9 | -27.8 | 0 | 0 | 0 | 115.6 | ||||
| 909 | N | 26 | Very low | 28.7 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -168.5 | 161.2 | 149.4 | -114.4 | -91.5 | 0 | 0 | 0 | 108.2 | ||||
| 910 | V | 27.4 | Very low | 29.3 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | cis | -146 | 171.8 | 2 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 911 | R | 26.5 | Very low | 29.3 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -78.6 | 154.9 | 173.5 | -137.2 | 178.4 | 172.7 | 142.7 | -3.8 | 110 | ||||
| 912 | Q | 30.7 | Very low | 29.8 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -149.2 | -169.2 | 30.6 | -46.3 | -169.3 | 64.8 | 0 | 0 | 109.9 | ||||
| 913 | H | 26.2 | Very low | 30.8 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 73% | 0.731 | 76% | 0.762 | S | S | * | * | cis | -155.9 | -161.2 | 4.7 | -159 | -114.9 | 0 | 0 | 0 | 110.7 | ||||
| 914 | S | 24.8 | Very low | 31 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -156.8 | -172.6 | 175.7 | -55 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 915 | P | 53.7 | Low | 30.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -122.7 | -153.9 | -10.5 | 45.4 | -28.6 | 0 | 0 | 0 | 110.3 | ||||
| 916 | P | 44.4 | Very low | 30.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -129.5 | -155.8 | -7.7 | 45.4 | -26.2 | 0 | 0 | 0 | 111.8 | ||||
| 917 | S | 28.4 | Very low | 32 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | cis | -158.4 | 175.7 | -2.7 | -146.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 918 | H | 26.4 | Very low | 31.8 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | 46.4 | 115.7 | 155.1 | -58.7 | -48.3 | 0 | 0 | 0 | 122.9 | ||||
| 919 | C | 27.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -111.7 | 154.2 | 154.6 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 920 | P | 41.2 | Very low | 32.7 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -138.2 | 166.5 | 138 | 26.9 | -7.9 | 0 | 0 | 0 | 112.3 | ||||
| 921 | A | 24.1 | Very low | 32.8 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -167 | -175.9 | -20.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 922 | S | 32.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -141.3 | 160.2 | 167 | -154.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 923 | P | 46 | Very low | 33.1 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | -160.4 | 174.9 | 80.5 | 42.5 | -20.9 | 0 | 0 | 0 | 119.4 | |||||
| 924 | N | 29.2 | Very low | 33.2 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -0.2 | 150.8 | 155.3 | -76.9 | -18.7 | 0 | 0 | 0 | 124.8 | ||||
| 925 | G | 25.1 | Very low | 33.3 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -156.6 | 142.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 926 | H | 25.4 | Very low | 32.8 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -133.1 | -170.8 | -175.3 | -127.5 | 0.3 | 0 | 0 | 0 | 108 | ||||
| 927 | P | 48.7 | Very low | 31.9 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -139.3 | 161.3 | -44.3 | 39.4 | -23.1 | 0 | 0 | 0 | 115.9 | ||||
| 928 | K | 24.5 | Very low | 31.9 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | 56.9 | 179.1 | 140.8 | -85.9 | -177.2 | 179 | 178.9 | 0 | 121.5 | ||||
| 929 | P | 44.6 | Very low | 32.9 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -142.3 | -176.1 | -37.8 | 39.9 | -21.1 | 0 | 0 | 0 | 117.1 | ||||
| 930 | V | 28.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 67.6 | 145.2 | 160.4 | -170.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 931 | G | 30.7 | Very low | 32.5 | Very low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | cis | 169.7 | -170.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 932 | D | 29.3 | Very low | 32.6 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 68.6 | 150.7 | 168.8 | -75.8 | 34.8 | 0 | 0 | 0 | 121.2 | ||||
| 933 | T | 33.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 139 Ų | 139 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | cis | -162.7 | 135.8 | -30 | -69.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 934 | L | 30 | Very low | 32.1 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 159.3 | 106.8 | 128.4 | -83.9 | 174.8 | 0 | 0 | 0 | 116 | |||||
| 935 | R | 26.4 | Very low | 32.1 | Very low | 210 Ų | 210 | 134.1 Ų | 134.1 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | 22.1 | 160.3 | 135.6 | -66.2 | -171.8 | -164 | -91.7 | 0.8 | 123.3 | ||||
| 936 | P | 41.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | cis | -148 | 138.1 | -31 | 37.6 | -17.9 | 0 | 0 | 0 | 117.5 | ||||
| 937 | I | 27.2 | Very low | 32 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 89% | 0.892 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -143.6 | 147.5 | 131.9 | -62 | -168.6 | 0 | 0 | 0 | 106.4 | ||
| 938 | Y | 27.4 | Very low | 31.2 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | -159.8 | 172.3 | -160.1 | -101.3 | -79.1 | 0 | 0 | 0 | 110.5 | ||||
| 939 | P | 47.9 | Very low | 32 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | cis | -137.3 | 173.9 | -8.6 | 42.2 | -25.7 | 0 | 0 | 0 | 117 | ||||
| 940 | D | 26.8 | Very low | 31.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | trans | 50.2 | 157.2 | 139.6 | -84.2 | 26.7 | 0 | 0 | 0 | 124 | ||||
| 941 | K | 32 | Very low | 32 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 70% | 0.7 | 73% | 0.729 | S | S | * | * | cis | -170.3 | 149 | -28.2 | -123 | -168.5 | -154.9 | 77.2 | 0 | 111.1 | ||||
| 942 | A | 27.8 | Very low | 32 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | 61.9 | 160.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 943 | R | 33.6 | Very low | 32.1 | Very low | 225 Ų | 225 | 134.5 Ų | 134.5 | 85% | 0.849 | 73% | 0.729 | S | S | * | * | trans | 63.1 | 120.5 | 145.7 | -172.2 | 175.7 | -165.9 | 175.2 | 6.1 | 119.4 | ||||
| 944 | G | 34.4 | Very low | 31.7 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -70.3 | 130.4 | 154 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 945 | P | 28 | Very low | 31.6 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | -94 | 171.7 | 70 | 33.5 | -38 | 0 | 0 | 0 | 113.4 | |||||
| 946 | G | 22.4 | Very low | 31.5 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | cis | 124.6 | 144.2 | 9.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 947 | E | 26.8 | Very low | 31.2 | Very low | 201 Ų | 201 | 131 Ų | 131 | 94% | 0.939 | 73% | 0.733 | S | S | * | * | trans | 65.9 | 144.6 | -165.7 | -45.8 | -170.3 | 148.7 | 0 | 0 | 112 | ||||
| 948 | G | 32 | Very low | 31.4 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | cis | 92.7 | 150.5 | 18.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 949 | P | 40.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | cis | -98.7 | 160.2 | 1.5 | 42.8 | -35.8 | 0 | 0 | 0 | 110.8 | ||||
| 950 | V | 32.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | 56.6 | 120.3 | 58.6 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 951 | P | 41.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | -150.3 | 156.6 | 59.9 | 45.4 | -26.8 | 0 | 0 | 0 | 118.7 | |||||
| 952 | K | 31.6 | Very low | 29.9 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 55.2 | 109.4 | 127.8 | -65.6 | 173 | -171.2 | 169.7 | 0 | 117.2 | |||||
| 953 | R | 29.7 | Very low | 31.1 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | 86.1 | 124.4 | 73.5 | -88.4 | -171.3 | 178 | 179.8 | -2.8 | 111.6 | |||||
| 954 | N | 26.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | 67.8 | 160.8 | 132.9 | -55.2 | 14.9 | 0 | 0 | 0 | 118.6 | ||||
| 955 | S | 26.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | 70.1 | 139.9 | 155 | 20.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 956 | S | 25.8 | Very low | 32 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | cis | 176.7 | 130.5 | -20.4 | 39.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 957 | L | 34.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | 62.2 | 164.6 | 154.2 | -56.3 | 167.6 | 0 | 0 | 0 | 117.9 | ||||
| 958 | L | 32.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 75.1 | 127.6 | 158.8 | -51.1 | -170.6 | 0 | 0 | 0 | 119.7 | ||||
| 959 | N | 24.1 | Very low | 32.2 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 72.9 | 151.9 | 129 | -69.7 | -4 | 0 | 0 | 0 | 120.6 | |||||
| 960 | S | 23.3 | Very low | 31.7 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | -169.1 | 171.7 | -24.8 | -157.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 961 | L | 25.8 | Very low | 31.5 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | 49.6 | 97.7 | 152 | -70.2 | 157.8 | 0 | 0 | 0 | 120.9 | ||||
| 962 | R | 28.1 | Very low | 31 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | 14.7 | 157.2 | 110.4 | -148.2 | -149 | -79.9 | 164.4 | -7.2 | 118.6 | |||||
| 963 | P | 53 | Low | 30.8 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | -116.7 | -164.6 | -65.3 | 39.7 | -22.8 | 0 | 0 | 0 | 111.4 | |||||
| 964 | P | 40.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -151.7 | 174.1 | 92.7 | 39.6 | -20.3 | 0 | 0 | 0 | 117.8 | |||||
| 965 | L | 32.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 178.7 | 170 | -71.2 | 167.1 | 0 | 0 | 0 | 111.5 | ||||
| 966 | P | 43 | Very low | 31.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -159.4 | -167.8 | 28.7 | 49.1 | -26.9 | 0 | 0 | 0 | 120.8 | ||||
| 967 | L | 29.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 79.3 | 103.4 | 149 | -73.8 | 176.7 | 0 | 0 | 0 | 123.3 | ||||
| 968 | Q | 27.9 | Very low | 32.1 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 78.2 | 154.6 | 123.3 | -90.3 | -158.6 | 73.9 | 0 | 0 | 124.3 | |||||
| 969 | A | 27.2 | Very low | 31.9 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 72.6 | 154.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 970 | K | 30.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | cis | -174.3 | 151.6 | -37 | -157.4 | 175.6 | 171.9 | -81.5 | 0 | 107.1 | ||||
| 971 | E | 28.7 | Very low | 33 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 56.6 | 170.7 | 178.3 | -87.3 | 80.8 | -113.4 | 0 | 0 | 115.5 | ||||
| 972 | G | 30 | Very low | 33.6 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -156.2 | 161.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 973 | V | 28.4 | Very low | 33.9 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 134.3 | 169.3 | 162.5 | 0 | 0 | 0 | 0 | 107.8 | S975 | V973-S975 PolarHBondContact O-N 3.39Š| ||
| 974 | H | 29.3 | Very low | 33.5 | Very low | 196 Ų | 196 | 147 Ų | 147 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -75 | 119.7 | 168.2 | -63.5 | -85 | 0 | 0 | 0 | 109 | ||||
| 975 | S | 27 | Very low | 33.6 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -123.2 | 112.3 | 170.1 | -156.8 | 0 | 0 | 0 | 0 | 109.2 | V973 | V973-S975 PolarHBondContact O-N 3.39Š| ||
| 976 | V | 35.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 129.1 | 175 | -75.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 977 | N | 31.4 | Very low | 35.8 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -166.6 | 128.1 | 146 | -103.6 | -37.9 | 0 | 0 | 0 | 111.5 | R979 | N977-R979 PolarHBondContact O-N 2.78Š| ||
| 978 | G | 44.8 | Very low | 37.3 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 112.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 979 | R | 29.3 | Very low | 39.1 | Very low | 242 Ų | 242 | 139.5 Ų | 139.5 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | trans | -137 | 101.4 | 153.3 | -86.9 | -165 | 169.5 | -141.8 | -2.4 | 109.3 | N977 K981 | N977-R979 PolarHBondContact O-N 2.78Å; R979-K981 PolarHBondContact O-N 3.18Å | ||
| 980 | T | 34.6 | Very low | 41.4 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.1 | 165.8 | 36.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 981 | K | 35.1 | Very low | 44 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 159.6 | 158 | -71.2 | -176.9 | 176.9 | -178.4 | 0 | 108.6 | R979 | R979-K981 PolarHBondContact O-N 3.18Š|
| 982 | P | 38.3 | Very low | 46.2 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 152.4 | 166.7 | -21.9 | 34.1 | 0 | 0 | 0 | 110.8 | D984 | P982-D984 PolarHBondContact O-N 3.13Š|
| 983 | W | 34.7 | Very low | 48.5 | Very low | 258 Ų | 258 | 135.5 Ų | 135.5 | 98% | 0.977 | 72% | 0.723 | S | S | * | * | trans | -71.6 | 109.2 | 178.3 | -66 | 85 | 0 | 0 | 0 | 110.1 | ||||
| 984 | D | 45.5 | Very low | 51 | Low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | trans | -65.4 | 134.8 | 164 | -74.1 | -52.6 | 0 | 0 | 0 | 109.3 | P982 F986 | P982-D984 PolarHBondContact O-N 3.13Å; D984-F986 WeakPolarHBondContact O-CD2 3.46Å; D984-F986 PolarHBondContact O-N 3.26Å | ||
| 985 | S | 41 | Very low | 53.6 | Low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -82 | 79.8 | -172 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 986 | F | 54.8 | Low | 56.2 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 56% | 0.557 | 68% | 0.68 | S | S | * | * | trans | -56.6 | 146 | 172.9 | -71.5 | -80.6 | 0 | 0 | 0 | 113 | D984 E990 | D984-F986 WeakPolarHBondContact O-CD2 3.46Å; D984-F986 PolarHBondContact O-N 3.26Å; F986-E990 HydrophobicContact CD1-CB 4.49Å | ||
| 987 | T | 67.7 | Low | 58.4 | Low | 69 Ų | 69 | 130.5 Ų | 130.5 | 42% | 0.423 | 67% | 0.668 | S | S | . | * | trans | -77.8 | 152.4 | 171.6 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | E989 E990 F991 | T987-E989 PolarHBondContact O-N 3.03Å; T987-E990 WeakPolarHBondContact CB-OE2 3.31Å; T987-E990 PolarHBondContact N-OE2 3.16Å; T987-E990 PolarHBondContact O-N 2.81Å; T987-E990 VanDerWaalsContact O-N 3.17Å; T987-E990 VanDerWaalsContact OG1-CD 3.28Å; T987-E990 VanDerWaalsContact OG1-CG 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.41Å; T987-E990 PolarHBondContact OG1-N 3.46Å; T987-E990 PolarHBondContact OG1-OE2 2.68Å; T987-F991 PolarHBondContact O-N 3.49Å | ||
| 988 | P | 61.8 | Low | 61 | Low | 105 Ų | 105 | 126 Ų | 126 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58 | -33.2 | 176.5 | -26.5 | 36 | 0 | 0 | 0 | 113.7 | F991 A992 | P988-F991 PolarHBondContact O-N 2.87Å; P988-A992 WeakPolarHBondContact O-CB 3.33Å; P988-A992 PolarHBondContact O-N 2.94Å |
| 989 | E | 65.9 | Low | 62.9 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60 | -46.2 | 175 | -123 | 69.7 | -151.5 | 0 | 0 | 112.2 | T987 A992 Q993 | T987-E989 PolarHBondContact O-N 3.03Å; E989-A992 PolarHBondContact O-N 3.38Å; E989-Q993 VanDerWaalsContact O-CG 3.3Å; E989-Q993 WeakPolarHBondContact O-CG 3.48Å; E989-Q993 PolarHBondContact O-N 3.45Å |
| 990 | E | 74.8 | Confident | 65.6 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 179.9 | -69.8 | 164.4 | 121.6 | 0 | 0 | 111.4 | F986 T987 Q993 Q994 | F986-E990 HydrophobicContact CD1-CB 4.49Å; T987-E990 WeakPolarHBondContact CB-OE2 3.31Å; T987-E990 PolarHBondContact N-OE2 3.16Å; T987-E990 PolarHBondContact O-N 2.81Å; T987-E990 VanDerWaalsContact O-N 3.17Å; T987-E990 VanDerWaalsContact OG1-CD 3.28Å; T987-E990 VanDerWaalsContact OG1-CG 3.3Å; T987-E990 WeakPolarHBondContact OG1-CG 3.41Å; T987-E990 PolarHBondContact OG1-N 3.46Å; T987-E990 PolarHBondContact OG1-OE2 2.68Å; E990-Q993 PolarHBondContact O-N 2.98Å; E990-Q994 WeakPolarHBondContact O-CB 3.22Å; E990-Q994 WeakPolarHBondContact O-CG 3.42Å; E990-Q994 PolarHBondContact O-N 3.45Å |
| 991 | F | 83.9 | Confident | 67.5 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 173.4 | 175.2 | -97.3 | 0 | 0 | 0 | 111.6 | T987 P988 Q993 Q994 F995 | T987-F991 PolarHBondContact O-N 3.49Å; P988-F991 PolarHBondContact O-N 2.87Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; F991-Q993 PolarHBondContact O-N 2.7Å; F991-Q994 PolarHBondContact O-N 3.14Å; F991-F995 VanDerWaalsContact O-CB 3.29Å; F991-F995 WeakPolarHBondContact O-CB 3.22Å; F991-F995 PolarHBondContact O-N 3.37Å |
| 992 | A | 76.9 | Confident | 69.6 | Low | 55 Ų | 55 | 112.5 Ų | 112.5 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.4 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P988 E989 H996 | P988-A992 WeakPolarHBondContact O-CB 3.33Å; P988-A992 PolarHBondContact O-N 2.94Å; E989-A992 PolarHBondContact O-N 3.38Å; A992-H996 WeakPolarHBondContact O-CB 3.48Å; A992-H996 PolarHBondContact O-N 3.34Å |
| 993 | Q | 77.6 | Confident | 71.5 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68 | -47.4 | 176.5 | -71 | 172 | 38 | 0 | 0 | 112 | E989 E990 F991 F995 H996 E997 | E989-Q993 VanDerWaalsContact O-CG 3.3Å; E989-Q993 WeakPolarHBondContact O-CG 3.48Å; E989-Q993 PolarHBondContact O-N 3.45Å; E990-Q993 PolarHBondContact O-N 2.98Å; F991-Q993 VanDerWaalsContact C-N 3.34Å; F991-Q993 PolarHBondContact O-N 2.7Å; Q993-F995 VanDerWaalsContact C-N 3.32Å; Q993-F995 PolarHBondContact O-N 2.84Å; Q993-H996 WeakPolarHBondContact O-CB 3.4Å; Q993-H996 PolarHBondContact O-N 2.94Å; Q993-E997 PolarHBondContact O-N 3.13Å |
| 994 | Q | 79.7 | Confident | 73.3 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -37.8 | 176.6 | -72.4 | -179.7 | 11.2 | 0 | 0 | 112.3 | E990 F991 S998 | E990-Q994 WeakPolarHBondContact O-CB 3.22Å; E990-Q994 WeakPolarHBondContact O-CG 3.42Å; E990-Q994 PolarHBondContact O-N 3.45Å; F991-Q994 PolarHBondContact O-N 3.14Å; Q994-S998 WeakPolarHBondContact O-CB 3.29Å; Q994-S998 PolarHBondContact O-N 3.36Å |
| 995 | F | 84.6 | Confident | 74.6 | Confident | 128 Ų | 128 | 106 Ų | 106 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -44.9 | 173.3 | -178 | -98.5 | 0 | 0 | 0 | 111.4 | F991 Q993 S998 V999 | F991-F995 VanDerWaalsContact O-CB 3.29Å; F991-F995 WeakPolarHBondContact O-CB 3.22Å; F991-F995 PolarHBondContact O-N 3.37Å; Q993-F995 VanDerWaalsContact C-N 3.32Å; Q993-F995 PolarHBondContact O-N 2.84Å; F995-S998 PolarHBondContact O-N 3.21Å; F995-V999 HydrophobicContact CD1-CG2 4.25Å; F995-V999 HydrophobicContact CE1-CG2 3.85Å; F995-V999 HydrophobicContact CE2-CG2 4.2Å; F995-V999 HydrophobicContact CZ-CG2 3.82Å; F995-V999 WeakPolarHBondContact O-CG2 3.35Å; F995-V999 PolarHBondContact O-N 3.44Å |
| 996 | H | 82.9 | Confident | 75.8 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 177.5 | -174 | 69.3 | 0 | 0 | 0 | 112.3 | A992 Q993 V999 L1000 | A992-H996 WeakPolarHBondContact O-CB 3.48Å; A992-H996 PolarHBondContact O-N 3.34Å; Q993-H996 WeakPolarHBondContact O-CB 3.4Å; Q993-H996 PolarHBondContact O-N 2.94Å; H996-V999 PolarHBondContact O-N 3.06Å; H996-L1000 WeakPolarHBondContact O-CG 3.22Å; H996-L1000 PolarHBondContact O-N 2.92Å |
| 997 | E | 81.9 | Confident | 76.2 | Confident | 117 Ų | 117 | 102.5 Ų | 102.5 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.8 | -70 | -167.9 | 162.9 | 0 | 0 | 112.4 | Q993 L1000 Q1001 | Q993-E997 PolarHBondContact O-N 3.13Å; E997-L1000 PolarHBondContact O-N 2.9Å; E997-Q1001 WeakPolarHBondContact O-CB 3.32Å; E997-Q1001 VanDerWaalsContact O-CG 3.29Å; E997-Q1001 WeakPolarHBondContact O-CG 3.11Å; E997-Q1001 PolarHBondContact O-N 2.93Å |
| 998 | S | 85.9 | Confident | 75.7 | Confident | 73 Ų | 73 | 105.8 Ų | 105.8 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | Q994 F995 S1002 | Q994-S998 WeakPolarHBondContact O-CB 3.29Å; Q994-S998 PolarHBondContact O-N 3.36Å; F995-S998 PolarHBondContact O-N 3.21Å; S998-S1002 VanDerWaalsContact O-CB 3.29Å; S998-S1002 WeakPolarHBondContact O-CB 3.4Å; S998-S1002 PolarHBondContact O-N 2.97Å |
| 999 | V | 84.9 | Confident | 75.6 | Confident | 66 Ų | 66 | 108.8 Ų | 108.8 | 40% | 0.4 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63 | -47.6 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | F995 H996 Q1001 S1002 T1003 | F995-V999 HydrophobicContact CD1-CG2 4.25Å; F995-V999 HydrophobicContact CE1-CG2 3.85Å; F995-V999 HydrophobicContact CE2-CG2 4.2Å; F995-V999 HydrophobicContact CZ-CG2 3.82Å; F995-V999 WeakPolarHBondContact O-CG2 3.35Å; F995-V999 PolarHBondContact O-N 3.44Å; H996-V999 PolarHBondContact O-N 3.06Å; V999-Q1001 PolarHBondContact O-N 2.98Å; V999-S1002 PolarHBondContact O-N 3.1Å; V999-T1003 PolarHBondContact O-N 3.43Å; V999-T1003 PolarHBondContact O-OG1 3Å |
| 1000 | L | 85.3 | Confident | 75 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -46.3 | 177.9 | -74.7 | 173.8 | 0 | 0 | 0 | 112.4 | H996 E997 S1002 T1003 Q1004 | H996-L1000 WeakPolarHBondContact O-CG 3.22Å; H996-L1000 PolarHBondContact O-N 2.92Å; E997-L1000 PolarHBondContact O-N 2.9Å; L1000-S1002 PolarHBondContact O-N 3.25Å; L1000-T1003 PolarHBondContact O-N 2.88Å; L1000-Q1004 WeakPolarHBondContact O-CB 3.46Å; L1000-Q1004 PolarHBondContact O-N 3.46Å |
| 1001 | Q | 74.9 | Confident | 73.5 | Confident | 123 Ų | 123 | 115.3 Ų | 115.3 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63 | -41.4 | 177.2 | -71.9 | 179.8 | 41.6 | 0 | 0 | 111.7 | E997 V999 Q1004 K1005 | E997-Q1001 WeakPolarHBondContact O-CB 3.32Å; E997-Q1001 VanDerWaalsContact O-CG 3.29Å; E997-Q1001 WeakPolarHBondContact O-CG 3.11Å; E997-Q1001 PolarHBondContact O-N 2.93Å; V999-Q1001 PolarHBondContact O-N 2.98Å; Q1001-Q1004 PolarHBondContact O-N 2.79Å; Q1001-K1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-K1005 PolarHBondContact O-N 2.86Å |
| 1002 | S | 78.7 | Confident | 71.7 | Confident | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -48.5 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | S998 V999 L1000 Q1004 K1005 A1006 | S998-S1002 VanDerWaalsContact O-CB 3.29Å; S998-S1002 WeakPolarHBondContact O-CB 3.4Å; S998-S1002 PolarHBondContact O-N 2.97Å; V999-S1002 PolarHBondContact O-N 3.1Å; L1000-S1002 PolarHBondContact O-N 3.25Å; S1002-Q1004 PolarHBondContact O-N 3.17Å; S1002-K1005 PolarHBondContact O-N 3.15Å; S1002-A1006 PolarHBondContact O-N 2.9Å |
| 1003 | T | 77.8 | Confident | 70.1 | Confident | 77 Ų | 77 | 116 Ų | 116 | 47% | 0.472 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.3 | -43 | 177.6 | -53.8 | 0 | 0 | 0 | 0 | 112 | V999 L1000 K1005 A1006 L1007 | V999-T1003 PolarHBondContact O-N 3.43Å; V999-T1003 PolarHBondContact O-OG1 3Å; L1000-T1003 PolarHBondContact O-N 2.88Å; T1003-K1005 PolarHBondContact O-N 3.22Å; T1003-A1006 PolarHBondContact O-N 3.38Å; T1003-L1007 HydrophobicContact CG2-CD1 4.28Å; T1003-L1007 PolarHBondContact O-N 3.15Å |
| 1004 | Q | 73.4 | Confident | 68.2 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.7 | -37 | 178.5 | -163.7 | 176.5 | 34.2 | 0 | 0 | 112.1 | L1000 Q1001 S1002 L1007 Q1008 | L1000-Q1004 WeakPolarHBondContact O-CB 3.46Å; L1000-Q1004 PolarHBondContact O-N 3.46Å; Q1001-Q1004 PolarHBondContact O-N 2.79Å; S1002-Q1004 PolarHBondContact O-N 3.17Å; Q1004-L1007 PolarHBondContact O-N 2.89Å; Q1004-Q1008 PolarHBondContact O-N 3.15Å |
| 1005 | K | 71.5 | Confident | 66.2 | Low | 164 Ų | 164 | 115.6 Ų | 115.6 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.3 | -36.8 | 175.8 | -168.7 | 172.8 | -174.5 | 175.2 | 0 | 112.3 | Q1001 S1002 T1003 K1009 | Q1001-K1005 WeakPolarHBondContact O-CB 3.27Å; Q1001-K1005 PolarHBondContact O-N 2.86Å; S1002-K1005 PolarHBondContact O-N 3.15Å; T1003-K1005 PolarHBondContact O-N 3.22Å; K1005-K1009 PolarHBondContact O-N 3.28Å |
| 1006 | A | 66.4 | Low | 63.8 | Low | 53 Ų | 53 | 113.2 Ų | 113.2 | 44% | 0.438 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.8 | -46.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1002 T1003 Q1008 K1009 H1010 | S1002-A1006 PolarHBondContact O-N 2.9Å; T1003-A1006 PolarHBondContact O-N 3.38Å; A1006-Q1008 PolarHBondContact O-N 3.48Å; A1006-K1009 WeakPolarHBondContact O-CB 3.48Å; A1006-K1009 PolarHBondContact O-N 3.42Å; A1006-K1009 VanDerWaalsContact O-N 3.14Å; A1006-H1010 PolarHBondContact O-N 3.23Å |
| 1007 | L | 63.4 | Low | 61.4 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.6 | -39.8 | 177.3 | -81.9 | 161.3 | 0 | 0 | 0 | 113.1 | T1003 Q1004 | T1003-L1007 HydrophobicContact CG2-CD1 4.28Å; T1003-L1007 PolarHBondContact O-N 3.15Å; Q1004-L1007 PolarHBondContact O-N 2.89Å |
| 1008 | Q | 57.3 | Low | 59.1 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 174.2 | -73.6 | -175.1 | 6.7 | 0 | 0 | 112.5 | Q1004 A1006 H1010 K1011 A1012 | Q1004-Q1008 PolarHBondContact O-N 3.15Å; A1006-Q1008 PolarHBondContact O-N 3.48Å; Q1008-H1010 VanDerWaalsContact C-N 3.28Å; Q1008-H1010 PolarHBondContact O-N 2.9Å; Q1008-K1011 PolarHBondContact O-N 3.42Å; Q1008-A1012 PolarHBondContact O-N 2.94Å |
| 1009 | K | 59.7 | Low | 56.6 | Low | 169 Ų | 169 | 116.5 Ų | 116.5 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.3 | -35.6 | -179.4 | -162.9 | -180 | -178.8 | -172.8 | 0 | 112.6 | K1005 A1006 K1011 | K1005-K1009 PolarHBondContact O-N 3.28Å; A1006-K1009 WeakPolarHBondContact O-CB 3.48Å; A1006-K1009 PolarHBondContact O-N 3.42Å; A1006-K1009 VanDerWaalsContact O-N 3.14Å; K1009-K1011 VanDerWaalsContact C-N 3.34Å |
| 1010 | H | 52.3 | Low | 54.1 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.8 | -22.2 | 174.7 | -80 | -87.9 | 0 | 0 | 0 | 114.1 | A1006 Q1008 | A1006-H1010 PolarHBondContact O-N 3.23Å; Q1008-H1010 VanDerWaalsContact C-N 3.28Å; Q1008-H1010 PolarHBondContact O-N 2.9Å |
| 1011 | K | 45.4 | Very low | 51.5 | Low | 189 Ų | 189 | 122.2 Ų | 122.2 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -87.3 | -8.6 | -177.5 | -159.5 | 160.6 | -175.1 | 172.1 | 0 | 114.1 | Q1008 K1009 | Q1008-K1011 PolarHBondContact O-N 3.42Å; K1009-K1011 VanDerWaalsContact C-N 3.34Å |
| 1012 | A | 45.5 | Very low | 49.4 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -89.9 | -19.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1008 G1014 | Q1008-A1012 PolarHBondContact O-N 2.94Å; A1012-G1014 VanDerWaalsContact C-N 3.28Å; A1012-G1014 PolarHBondContact O-N 3.5Å; A1012-G1014 VanDerWaalsContact O-N 3.15Å |
| 1013 | S | 43 | Very low | 47.1 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -89.9 | 41.1 | -172.2 | -168.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1014 | G | 37.6 | Very low | 44.7 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -131.3 | 11.5 | -161.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | A1012 | A1012-G1014 VanDerWaalsContact C-N 3.28Å; A1012-G1014 PolarHBondContact O-N 3.5Å; A1012-G1014 VanDerWaalsContact O-N 3.15Å | ||
| 1015 | V | 38.6 | Very low | 43 | Very low | 153 Ų | 153 | 129 Ų | 129 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | trans | -146.6 | 117.9 | 175.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1016 | G | 32.5 | Very low | 41.1 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 152.8 | 109.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1017 | A | 33.9 | Very low | 39.2 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -64 | 145.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1018 | N | 33.1 | Very low | 37.6 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 26.8 | 134.8 | 135.7 | -50.5 | -1.4 | 0 | 0 | 0 | 121.2 | ||||
| 1019 | V | 33 | Very low | 36.4 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -174.6 | 132.2 | 116.1 | 140.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1020 | S | 33 | Very low | 35 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 55.8 | 143.1 | 159.7 | -61.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1021 | D | 31.1 | Very low | 33.8 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -77.1 | 151.2 | 174.3 | -60.2 | -86.2 | 0 | 0 | 0 | 115.1 | ||||
| 1022 | S | 29.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -178.9 | 130.6 | 109 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1023 | S | 31 | Very low | 32.4 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 42.2 | 93.8 | 146.2 | 65.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1024 | H | 27.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | -162 | 132.8 | 121.9 | -162.5 | -94.8 | 0 | 0 | 0 | 110.2 | |||||
| 1025 | L | 37.5 | Very low | 31.3 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -121.3 | 105.1 | 175.2 | -87.2 | 174.8 | 0 | 0 | 0 | 110.3 | ||||
| 1026 | Q | 31.4 | Very low | 31 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 62% | 0.621 | 78% | 0.778 | S | S | * | * | trans | -157.4 | 146.9 | 154 | -127.5 | 171.1 | -41 | 0 | 0 | 111.8 | ||||
| 1027 | E | 26.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 55.4 | 87.1 | 157.6 | -73.2 | 155.5 | -133.1 | 0 | 0 | 119 | L1029 | E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.47Å; E1027-L1029 VanDerWaalsContact O-N 3.09Å | ||
| 1028 | S | 29.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -77.7 | 77.9 | 155.2 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1029 | L | 33 | Very low | 30.2 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -96.5 | 123.8 | 171.3 | -162.1 | 74.7 | 0 | 0 | 0 | 109.8 | E1027 H1031 | E1027-L1029 VanDerWaalsContact C-N 3.29Å; E1027-L1029 PolarHBondContact O-N 3.47Å; E1027-L1029 VanDerWaalsContact O-N 3.09Å; L1029-H1031 PolarHBondContact O-N 3.38Å | ||
| 1030 | V | 30.6 | Very low | 29.9 | Very low | 115 Ų | 115 | 144 Ų | 144 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 96.4 | -176 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | Y1032 | V1030-Y1032 HydrophobicContact CG1-CD2 4.46Å; V1030-Y1032 HydrophobicContact CG1-CE2 4.14Å; V1030-Y1032 PolarHBondContact O-N 2.83Å | ||
| 1031 | H | 26.4 | Very low | 30 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -78.8 | 108.4 | -177.8 | 177.3 | 77.9 | 0 | 0 | 0 | 112.2 | L1029 N1033 | L1029-H1031 PolarHBondContact O-N 3.38Å; H1031-N1033 PolarHBondContact CD2-ND2 2.86Å; H1031-N1033 PolarHBondContact NE2-ND2 3.13Å | ||
| 1032 | Y | 30.8 | Very low | 29.6 | Very low | 207 Ų | 207 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -80.8 | 115.1 | 170.6 | -83.7 | -89.7 | 0 | 0 | 0 | 110.8 | V1030 | V1030-Y1032 HydrophobicContact CG1-CD2 4.46Å; V1030-Y1032 HydrophobicContact CG1-CE2 4.14Å; V1030-Y1032 PolarHBondContact O-N 2.83Å | ||
| 1033 | N | 29.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 128 | 172 | -94.8 | -108.1 | 0 | 0 | 0 | 111.1 | H1031 | H1031-N1033 PolarHBondContact CD2-ND2 2.86Å; H1031-N1033 PolarHBondContact NE2-ND2 3.13Å | ||
| 1034 | I | 26.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -111 | 130.3 | 158.1 | -63.9 | 173.1 | 0 | 0 | 0 | 106.4 | E1036 | I1034-E1036 PolarHBondContact O-N 3.35Å; I1034-E1036 VanDerWaalsContact O-N 3.08Å | ||
| 1035 | P | 32.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -69.3 | 105.5 | -177.5 | -21.5 | 34.3 | 0 | 0 | 0 | 112.9 | ||||
| 1036 | E | 31.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -74.8 | 132.4 | 167.6 | -64.8 | -174.9 | 151.6 | 0 | 0 | 110.5 | I1034 Q1038 | I1034-E1036 PolarHBondContact O-N 3.35Å; I1034-E1036 VanDerWaalsContact O-N 3.08Å; E1036-Q1038 PolarHBondContact O-N 2.81Å | ||
| 1037 | L | 30.6 | Very low | 30.2 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -78.5 | 103.7 | 178.3 | -73.4 | 171.4 | 0 | 0 | 0 | 110.5 | S1039 | L1037-S1039 PolarHBondContact O-N 2.91Å; L1037-S1039 VanDerWaalsContact O-N 3.16Å | ||
| 1038 | Q | 27.8 | Very low | 30.9 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -65.7 | 111.3 | 173.1 | -69.1 | -176.4 | -5.8 | 0 | 0 | 111.3 | E1036 A1040 | E1036-Q1038 PolarHBondContact O-N 2.81Å; Q1038-A1040 PolarHBondContact O-N 3.4Å | ||
| 1039 | S | 23.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 117.4 | 167.6 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | L1037 | L1037-S1039 PolarHBondContact O-N 2.91Å; L1037-S1039 VanDerWaalsContact O-N 3.16Å |
| 1040 | A | 26.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 163.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1038 | Q1038-A1040 PolarHBondContact O-N 3.4Š|
| 1041 | P | 34.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 160.7 | -139 | 34.1 | -38.6 | 0 | 0 | 0 | 115.9 | ||
| 1042 | S | 24.5 | Very low | 30.7 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -134.7 | 163.5 | 162.5 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1043 | R | 28 | Very low | 30.5 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -115.5 | 145.8 | -161.6 | -169.6 | 178.7 | -175.7 | -147.7 | 3.5 | 110 | ||||
| 1044 | P | 34 | Very low | 31 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72 | 145.6 | -172.1 | 28 | -36.5 | 0 | 0 | 0 | 113.8 | ||
| 1045 | P | 34.8 | Very low | 31.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82 | 160.8 | 160.6 | 35.2 | -33.3 | 0 | 0 | 0 | 111.6 | ||
| 1046 | P | 37.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85 | 169.5 | -178.7 | 35.3 | -36.7 | 0 | 0 | 0 | 114 | ||
| 1047 | Q | 34.2 | Very low | 31.4 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 161.2 | 167.3 | -68.2 | -174.9 | -19.2 | 0 | 0 | 112.4 | ||
| 1048 | P | 41.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -136.9 | 156.5 | 110.7 | 38.3 | -29.5 | 0 | 0 | 0 | 115.9 | |||||
| 1049 | N | 29 | Very low | 31.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -5.2 | 136.7 | 161.5 | -71.5 | -11.2 | 0 | 0 | 0 | 120.6 | ||||
| 1050 | G | 28.4 | Very low | 31.3 | Very low | 65 Ų | 65 | 146.1 Ų | 146.1 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | 127.3 | 125.3 | 100.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1051 | Q | 29.6 | Very low | 31.3 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 59 | 108.5 | 143.6 | -50.8 | 175.9 | -11 | 0 | 0 | 117.3 | ||||
| 1052 | H | 28 | Very low | 31 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | -167.1 | 154.5 | 66.6 | -103.2 | -84.4 | 0 | 0 | 0 | 114.6 | |||||
| 1053 | F | 27.3 | Very low | 31.2 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -100.6 | 179.2 | 166.9 | -91.9 | -85.1 | 0 | 0 | 0 | 110.2 | ||||
| 1054 | P | 40.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | cis | -134.1 | -174.3 | -12 | 31.3 | -9.1 | 0 | 0 | 0 | 115.2 | ||||
| 1055 | L | 36.1 | Very low | 31.1 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -67.5 | 158.1 | 157.4 | -70.6 | 159.4 | 0 | 0 | 0 | 112.3 | ||||
| 1056 | P | 36.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -148.6 | -178.6 | 108.2 | 36.1 | -19.4 | 0 | 0 | 0 | 114 | |||||
| 1057 | L | 25.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | cis | 171.2 | 138.3 | -35.2 | -177.2 | 72.1 | 0 | 0 | 0 | 107.3 | ||||
| 1058 | H | 26.7 | Very low | 30.2 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | 51.8 | 134 | 163.6 | -96.3 | -102.8 | 0 | 0 | 0 | 121 | E1060 | H1058-E1060 IonicContact CE1-OE2 3.8Š| ||
| 1059 | K | 26.8 | Very low | 29.7 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | -166 | 130.7 | 99.1 | -106.7 | 175.2 | -178 | 179.2 | 0 | 113.4 | |||||
| 1060 | E | 27.1 | Very low | 29.6 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -85.3 | 161.7 | 159.3 | -60.5 | 163 | 114.3 | 0 | 0 | 109.6 | H1058 | H1058-E1060 IonicContact CE1-OE2 3.8Š| ||
| 1061 | A | 26.8 | Very low | 30.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -149 | 116.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1062 | A | 28.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -100.7 | 149.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1063 | V | 27.7 | Very low | 30.5 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -136.7 | 128.3 | 168.8 | 180 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1064 | M | 33.1 | Very low | 30.7 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -111.1 | 139.3 | 167 | -82 | -168.4 | 170.1 | 0 | 0 | 110.1 | ||||
| 1065 | R | 28.3 | Very low | 30.2 | Very low | 209 Ų | 209 | 145.4 Ų | 145.4 | 79% | 0.789 | 81% | 0.809 | S | S | * | * | trans | -159.4 | 120.5 | 146.8 | -78.6 | -145.1 | -169.8 | -88.9 | -0.9 | 106.1 | ||||
| 1066 | E | 28.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 67% | 0.673 | 81% | 0.809 | S | S | * | * | 82.1 | 109.3 | 72.9 | -74.8 | 173 | 141.9 | 0 | 0 | 113.6 | |||||
| 1067 | D | 27.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | 77.6 | 120.5 | 139.5 | -76.9 | 13.5 | 0 | 0 | 0 | 125 | ||||
| 1068 | L | 30.7 | Very low | 30.5 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | 67.9 | 91.2 | 131.5 | -59.9 | 170.9 | 0 | 0 | 0 | 119.7 | ||||
| 1069 | S | 30.8 | Very low | 30.9 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | 178.1 | 162.2 | 110.2 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1070 | G | 26.9 | Very low | 31.4 | Very low | 70 Ų | 70 | 151.2 Ų | 151.2 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -163.9 | -167 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1071 | P | 40.6 | Very low | 32 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | -108.2 | 175.3 | -8.1 | 40.4 | -30.8 | 0 | 0 | 0 | 111.8 | ||||
| 1072 | D | 30.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -148.6 | 137.5 | 144.7 | -136.3 | -10.9 | 0 | 0 | 0 | 108.3 | ||||
| 1073 | D | 32.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 158.8 Ų | 158.8 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -90.5 | 143.1 | 168.3 | -84.9 | -54.2 | 0 | 0 | 0 | 107.9 | ||||
| 1074 | S | 33.1 | Very low | 34.4 | Very low | 116 Ų | 116 | 159.3 Ų | 159.3 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -146.2 | 110.1 | 166.8 | -70.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1075 | E | 30.5 | Very low | 35.2 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -78.4 | 159.7 | -179.4 | -61.9 | 179.8 | 145.2 | 0 | 0 | 111.2 | ||||
| 1076 | E | 36.4 | Very low | 36.1 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 29.1 | 90.6 | 151.8 | -60.2 | -172.9 | 177.7 | 0 | 0 | 118.8 | ||||
| 1077 | E | 35.3 | Very low | 37.4 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | -168.6 | 122.9 | 122.8 | -108.3 | 174.3 | -171.9 | 0 | 0 | 109.6 | |||||
| 1078 | D | 32.3 | Very low | 39 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -157.9 | 132.5 | 151.6 | -108.1 | -29.3 | 0 | 0 | 0 | 107.1 | ||||
| 1079 | D | 34.6 | Very low | 40.7 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -63.2 | 151.3 | -177.4 | -71.6 | -85.4 | 0 | 0 | 0 | 111.9 | E1081 | D1079-E1081 HydrophobicContact CB-CB 4.26Å; D1079-E1081 PolarHBondContact O-N 3.28Å | ||
| 1080 | E | 37 | Very low | 42.9 | Very low | 207 Ų | 207 | 150.9 Ų | 150.9 | 97% | 0.967 | 80% | 0.796 | S | S | * | * | trans | -70.5 | 62.9 | 148 | -75.5 | -167.1 | 166.2 | 0 | 0 | 108.6 | E1082 | E1080-E1082 PolarHBondContact O-N 3.3Š| ||
| 1081 | E | 40.1 | Very low | 45.3 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -59 | 125.4 | 163.5 | -159.7 | 174.8 | -134.8 | 0 | 0 | 106.2 | D1079 E1083 | D1079-E1081 HydrophobicContact CB-CB 4.26Å; D1079-E1081 PolarHBondContact O-N 3.28Å; E1081-E1083 VanDerWaalsContact C-N 3.29Å; E1081-E1083 PolarHBondContact O-N 2.93Å | ||
| 1082 | E | 43.8 | Very low | 47.4 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -65 | 91.3 | -177.1 | -176.4 | 173.3 | -161.1 | 0 | 0 | 107.9 | E1080 E1084 | E1080-E1082 PolarHBondContact O-N 3.3Å; E1082-E1084 VanDerWaalsContact C-N 3.33Å; E1082-E1084 PolarHBondContact O-N 2.8Å | ||
| 1083 | E | 41.7 | Very low | 50.2 | Low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | -57.4 | 98.3 | -178.5 | -171.4 | -171.6 | -177.5 | 0 | 0 | 107.8 | E1081 A1085 | E1081-E1083 VanDerWaalsContact C-N 3.29Å; E1081-E1083 PolarHBondContact O-N 2.93Å; E1083-A1085 PolarHBondContact O-N 2.9Å | ||
| 1084 | E | 47 | Very low | 53.1 | Low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -72.2 | 77.1 | -177.1 | -170.4 | -178.8 | -177.5 | 0 | 0 | 108 | E1082 P1086 V1087 | E1082-E1084 VanDerWaalsContact C-N 3.33Å; E1082-E1084 PolarHBondContact O-N 2.8Å; E1084-P1086 VanDerWaalsContact O-CA 3.3Å; E1084-P1086 WeakPolarHBondContact O-CA 3.39Å; E1084-V1087 HydrophobicContact CG-CG2 4.29Å | ||
| 1085 | A | 50.5 | Low | 55.8 | Low | 71 Ų | 71 | 141.3 Ų | 141.3 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | trans | -44 | 114.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1083 V1087 | E1083-A1085 PolarHBondContact O-N 2.9Å; A1085-V1087 PolarHBondContact O-N 3.4Å | ||
| 1086 | P | 47.9 | Very low | 58.6 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -55.2 | 107.4 | -143.8 | 13.9 | -30.8 | 0 | 0 | 0 | 111.3 | E1084 | E1084-P1086 VanDerWaalsContact O-CA 3.3Å; E1084-P1086 WeakPolarHBondContact O-CA 3.39Å | ||
| 1087 | V | 54.4 | Low | 61.2 | Low | 100 Ų | 100 | 135.4 Ų | 135.4 | 61% | 0.606 | 68% | 0.683 | S | S | * | * | trans | -35.9 | 108.6 | -164.1 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | E1084 A1085 K1089 | E1084-V1087 HydrophobicContact CG-CG2 4.29Å; A1085-V1087 PolarHBondContact O-N 3.4Å; V1087-K1089 WeakPolarHBondContact O-CA 3.38Å; V1087-K1089 PolarHBondContact O-N 2.77Å | ||
| 1088 | P | 62.2 | Low | 64 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -48.5 | 105.7 | -161.9 | -34.9 | 36.3 | 0 | 0 | 0 | 111.9 | W1090 | P1088-W1090 PolarHBondContact O-N 2.85Š| ||
| 1089 | K | 67.3 | Low | 66.8 | Low | 196 Ų | 196 | 125.7 Ų | 125.7 | 85% | 0.852 | 64% | 0.641 | S | S | * | * | trans | -66.3 | 97.8 | -165.1 | -172.5 | 176.9 | -176.1 | 176.8 | 0 | 108.6 | V1087 Q1091 | V1087-K1089 WeakPolarHBondContact O-CA 3.38Å; V1087-K1089 PolarHBondContact O-N 2.77Å; K1089-Q1091 PolarHBondContact O-N 2.89Å | ||
| 1090 | W | 76.3 | Confident | 69.7 | Low | 185 Ų | 185 | 125.8 Ų | 125.8 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -44.1 | 112.6 | -160.4 | 176.3 | 51.1 | 0 | 0 | 0 | 112 | P1088 G1092 S1095 I1096 | P1088-W1090 PolarHBondContact O-N 2.85Å; W1090-G1092 VanDerWaalsContact CE2-O 3.29Å; W1090-G1092 PolarHBondContact NE1-O 3.29Å; W1090-G1092 PolarHBondContact O-N 2.82Å; W1090-S1095 VanDerWaalsContact CD1-OG 3.28Å; W1090-S1095 PolarHBondContact NE1-OG 3.34Å; W1090-I1096 HydrophobicContact CZ2-CD1 3.9Å | ||
| 1091 | Q | 76.9 | Confident | 72.4 | Confident | 121 Ų | 121 | 121.2 Ų | 121.2 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | trans | -75.8 | 33.8 | -174.3 | -60.5 | 160.6 | -31.6 | 0 | 0 | 111.6 | K1089 I1093 E1094 | K1089-Q1091 PolarHBondContact O-N 2.89Å; Q1091-I1093 PolarHBondContact O-N 3.09Å; Q1091-E1094 PolarHBondContact O-N 2.96Å | ||
| 1092 | G | 85.4 | Confident | 75 | Confident | 23 Ų | 23 | 119 Ų | 119 | 24% | 0.237 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 52.4 | -133 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1090 E1094 S1095 | W1090-G1092 VanDerWaalsContact CE2-O 3.29Å; W1090-G1092 PolarHBondContact NE1-O 3.29Å; W1090-G1092 PolarHBondContact O-N 2.82Å; G1092-E1094 VanDerWaalsContact C-N 3.32Å; G1092-E1094 PolarHBondContact O-N 3.22Å; G1092-S1095 PolarHBondContact O-OG 3.48Å |
| 1093 | I | 90.4 | Very high | 77.4 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 56% | 0.559 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -20.1 | -173.7 | -156.9 | 171.4 | 0 | 0 | 0 | 113.6 | Q1091 I1096 F1097 | Q1091-I1093 PolarHBondContact O-N 3.09Å; I1093-I1096 WeakPolarHBondContact O-CB 3.5Å; I1093-I1096 PolarHBondContact O-N 2.88Å; I1093-I1096 VanDerWaalsContact O-N 3.11Å; I1093-F1097 HydrophobicContact CD1-CE2 3.75Å; I1093-F1097 HydrophobicContact CD1-CZ 4.26Å; I1093-F1097 HydrophobicContact CG1-CD2 4Å; I1093-F1097 HydrophobicContact CG1-CE2 3.64Å; I1093-F1097 HydrophobicContact CG1-CZ 4.44Å; I1093-F1097 HydrophobicContact CG2-CD2 4.48Å; I1093-F1097 HydrophobicContact CG2-CE2 4.32Å; I1093-F1097 VanDerWaalsContact O-CD2 3.3Å; I1093-F1097 WeakPolarHBondContact O-CD2 3.35Å; I1093-F1097 PolarHBondContact O-N 2.97Å |
| 1094 | E | 92.1 | Very high | 80 | Confident | 137 Ų | 137 | 108.8 Ų | 108.8 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -51.2 | -177.2 | -66 | 170.1 | 166.6 | 0 | 0 | 110 | Q1091 G1092 I1096 F1097 E1098 | Q1091-E1094 PolarHBondContact O-N 2.96Å; G1092-E1094 VanDerWaalsContact C-N 3.32Å; G1092-E1094 PolarHBondContact O-N 3.22Å; E1094-I1096 PolarHBondContact O-N 3.03Å; E1094-F1097 PolarHBondContact O-N 3.25Å; E1094-E1098 PolarHBondContact O-N 2.93Å |
| 1095 | S | 88.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 106.9 Ų | 106.9 | 20% | 0.196 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -56.7 | -22.9 | 171.9 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | W1090 G1092 A1099 | W1090-S1095 VanDerWaalsContact CD1-OG 3.28Å; W1090-S1095 PolarHBondContact NE1-OG 3.34Å; G1092-S1095 PolarHBondContact O-OG 3.48Å; S1095-A1099 VanDerWaalsContact O-CB 3.23Å; S1095-A1099 WeakPolarHBondContact O-CB 3.37Å; S1095-A1099 PolarHBondContact O-N 3.13Å; S1095-A1099 VanDerWaalsContact O-N 3.11Å |
| 1096 | I | 89.8 | Confident | 84.5 | Confident | 95 Ų | 95 | 109.2 Ų | 109.2 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -82 | -36.4 | 176.2 | -61.8 | 178.5 | 0 | 0 | 0 | 110.7 | W1090 I1093 E1094 Y1100 | W1090-I1096 HydrophobicContact CZ2-CD1 3.9Å; I1093-I1096 WeakPolarHBondContact O-CB 3.5Å; I1093-I1096 PolarHBondContact O-N 2.88Å; I1093-I1096 VanDerWaalsContact O-N 3.11Å; E1094-I1096 PolarHBondContact O-N 3.03Å; I1096-Y1100 VanDerWaalsContact O-CB 3.29Å; I1096-Y1100 WeakPolarHBondContact O-CB 3.22Å; I1096-Y1100 PolarHBondContact O-N 2.78Å |
| 1097 | F | 92.5 | Very high | 86.8 | Confident | 138 Ų | 138 | 105.8 Ų | 105.8 | 61% | 0.605 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.7 | -40.3 | 172.6 | -76.6 | -62.8 | 0 | 0 | 0 | 111.8 | I1093 E1094 Y1100 H1101 | I1093-F1097 HydrophobicContact CD1-CE2 3.75Å; I1093-F1097 HydrophobicContact CD1-CZ 4.26Å; I1093-F1097 HydrophobicContact CG1-CD2 4Å; I1093-F1097 HydrophobicContact CG1-CE2 3.64Å; I1093-F1097 HydrophobicContact CG1-CZ 4.44Å; I1093-F1097 HydrophobicContact CG2-CD2 4.48Å; I1093-F1097 HydrophobicContact CG2-CE2 4.32Å; I1093-F1097 VanDerWaalsContact O-CD2 3.3Å; I1093-F1097 WeakPolarHBondContact O-CD2 3.35Å; I1093-F1097 PolarHBondContact O-N 2.97Å; E1094-F1097 PolarHBondContact O-N 3.25Å; F1097-Y1100 PolarHBondContact O-N 3.04Å; F1097-H1101 WeakPolarHBondContact O-CB 3.39Å; F1097-H1101 PolarHBondContact O-N 3.18Å |
| 1098 | E | 93.2 | Very high | 88.8 | Confident | 112 Ų | 112 | 104.7 Ų | 104.7 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -54.4 | 174.2 | -69.4 | 174.9 | 161.8 | 0 | 0 | 110.9 | E1094 Y1100 H1101 E1102 | E1094-E1098 PolarHBondContact O-N 2.93Å; E1098-Y1100 PolarHBondContact O-N 3.34Å; E1098-Y1100 VanDerWaalsContact O-N 3.12Å; E1098-H1101 WeakPolarHBondContact O-CA 3.46Å; E1098-H1101 WeakPolarHBondContact O-CB 3.26Å; E1098-H1101 PolarHBondContact O-N 3.06Å; E1098-E1102 WeakPolarHBondContact O-CG 3.31Å; E1098-E1102 PolarHBondContact O-N 3.45Å |
| 1099 | A | 90.9 | Very high | 90.5 | Very high | 49 Ų | 49 | 103.9 Ų | 103.9 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -22 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1095 Y1103 | S1095-A1099 VanDerWaalsContact O-CB 3.23Å; S1095-A1099 WeakPolarHBondContact O-CB 3.37Å; S1095-A1099 PolarHBondContact O-N 3.13Å; S1095-A1099 VanDerWaalsContact O-N 3.11Å; A1099-Y1103 VanDerWaalsContact O-CB 3.24Å; A1099-Y1103 WeakPolarHBondContact O-CB 3.42Å; A1099-Y1103 PolarHBondContact O-N 3.09Å |
| 1100 | Y | 95.2 | Very high | 91.9 | Very high | 150 Ų | 150 | 99.2 Ų | 99.2 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -79.8 | -37.8 | 170.1 | -176.1 | -95.5 | 0 | 0 | 0 | 112.2 | I1096 F1097 E1098 Y1103 V1104 | I1096-Y1100 VanDerWaalsContact O-CB 3.29Å; I1096-Y1100 WeakPolarHBondContact O-CB 3.22Å; I1096-Y1100 PolarHBondContact O-N 2.78Å; F1097-Y1100 PolarHBondContact O-N 3.04Å; E1098-Y1100 PolarHBondContact O-N 3.34Å; E1098-Y1100 VanDerWaalsContact O-N 3.12Å; Y1100-Y1103 HydrophobicContact CD2-CD1 4.48Å; Y1100-Y1103 HydrophobicContact CE2-CD1 4.49Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; Y1100-V1104 HydrophobicContact CD1-CG2 4.22Å; Y1100-V1104 HydrophobicContact CE1-CG2 3.76Å; Y1100-V1104 WeakPolarHBondContact O-CG2 3.49Å; Y1100-V1104 PolarHBondContact O-N 3.34Å |
| 1101 | H | 95.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 175.2 | -170.2 | -4 | 0 | 0 | 0 | 111 | F1097 E1098 Y1103 V1104 E1105 | F1097-H1101 WeakPolarHBondContact O-CB 3.39Å; F1097-H1101 PolarHBondContact O-N 3.18Å; E1098-H1101 WeakPolarHBondContact O-CA 3.46Å; E1098-H1101 WeakPolarHBondContact O-CB 3.26Å; E1098-H1101 PolarHBondContact O-N 3.06Å; H1101-Y1103 VanDerWaalsContact C-N 3.33Å; H1101-Y1103 PolarHBondContact O-N 3.08Å; H1101-V1104 PolarHBondContact O-N 3.46Å; H1101-V1104 VanDerWaalsContact O-N 3.09Å; H1101-E1105 IonicContact CE1-OE1 3.74Å; H1101-E1105 PolarHBondContact CE1-OE1 3.1Å; H1101-E1105 VanDerWaalsContact CE1-OE1 3.31Å; H1101-E1105 IonicContact ND1-OE1 3.59Å; H1101-E1105 PolarHBondContact O-N 3.15Å |
| 1102 | E | 94.6 | Very high | 93.8 | Very high | 126 Ų | 126 | 96.4 Ų | 96.4 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54.4 | -48.2 | 171.8 | -70 | -179.5 | 154.8 | 0 | 0 | 110.9 | E1098 V1104 E1105 E1106 | E1098-E1102 WeakPolarHBondContact O-CG 3.31Å; E1098-E1102 PolarHBondContact O-N 3.45Å; E1102-V1104 VanDerWaalsContact C-N 3.3Å; E1102-V1104 PolarHBondContact O-N 2.97Å; E1102-E1105 CarbonylContact O-C 3.24Å; E1102-E1105 PolarHBondContact O-N 2.86Å; E1102-E1105 VanDerWaalsContact O-N 3.09Å; E1102-E1106 WeakPolarHBondContact O-CG 3.23Å; E1102-E1106 PolarHBondContact O-N 3.33Å |
| 1103 | Y | 94.4 | Very high | 94.4 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.6 | 169.5 | -104.6 | 0 | 0 | 0 | 112.9 | A1099 Y1100 H1101 Q1107 | A1099-Y1103 VanDerWaalsContact O-CB 3.24Å; A1099-Y1103 WeakPolarHBondContact O-CB 3.42Å; A1099-Y1103 PolarHBondContact O-N 3.09Å; Y1100-Y1103 HydrophobicContact CD2-CD1 4.48Å; Y1100-Y1103 HydrophobicContact CE2-CD1 4.49Å; Y1100-Y1103 PolarHBondContact O-N 2.87Å; H1101-Y1103 VanDerWaalsContact C-N 3.33Å; H1101-Y1103 PolarHBondContact O-N 3.08Å; Y1103-Q1107 HydrophobicContact CD2-CG 4.05Å; Y1103-Q1107 HydrophobicContact CE1-CG 4.17Å; Y1103-Q1107 HydrophobicContact CE2-CG 3.6Å; Y1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; Y1103-Q1107 WeakPolarHBondContact O-CG 3.49Å; Y1103-Q1107 PolarHBondContact O-N 3.15Å |
| 1104 | V | 95.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 98.1 Ų | 98.1 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 175 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | Y1100 H1101 E1102 Q1107 T1108 | Y1100-V1104 HydrophobicContact CD1-CG2 4.22Å; Y1100-V1104 HydrophobicContact CE1-CG2 3.76Å; Y1100-V1104 WeakPolarHBondContact O-CG2 3.49Å; Y1100-V1104 PolarHBondContact O-N 3.34Å; H1101-V1104 PolarHBondContact O-N 3.46Å; H1101-V1104 VanDerWaalsContact O-N 3.09Å; E1102-V1104 VanDerWaalsContact C-N 3.3Å; E1102-V1104 PolarHBondContact O-N 2.97Å; V1104-Q1107 PolarHBondContact O-N 2.75Å; V1104-T1108 WeakPolarHBondContact O-CG2 3.45Å; V1104-T1108 PolarHBondContact O-N 2.92Å; V1104-T1108 PolarHBondContact O-OG1 2.92Å |
| 1105 | E | 96.7 | Very high | 95 | Very high | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.8 | -41.6 | 176.7 | -66.5 | -166.2 | 150.6 | 0 | 0 | 113.2 | H1101 E1102 Q1107 T1108 L1109 | H1101-E1105 IonicContact CE1-OE1 3.74Å; H1101-E1105 PolarHBondContact CE1-OE1 3.1Å; H1101-E1105 VanDerWaalsContact CE1-OE1 3.31Å; H1101-E1105 IonicContact ND1-OE1 3.59Å; H1101-E1105 PolarHBondContact O-N 3.15Å; E1102-E1105 CarbonylContact O-C 3.24Å; E1102-E1105 PolarHBondContact O-N 2.86Å; E1102-E1105 VanDerWaalsContact O-N 3.09Å; E1105-Q1107 PolarHBondContact O-N 3.12Å; E1105-T1108 WeakPolarHBondContact CA-OG1 3.34Å; E1105-T1108 PolarHBondContact O-N 3.41Å; E1105-T1108 PolarHBondContact O-OG1 3.48Å; E1105-L1109 VanDerWaalsContact O-CB 3.28Å; E1105-L1109 WeakPolarHBondContact O-CB 3.34Å; E1105-L1109 PolarHBondContact O-N 2.96Å |
| 1106 | E | 96.2 | Very high | 95.4 | Very high | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.1 | -42.2 | 167.6 | -74.3 | -168 | 136.1 | 0 | 0 | 110.3 | E1102 E1110 | E1102-E1106 WeakPolarHBondContact O-CG 3.23Å; E1102-E1106 PolarHBondContact O-N 3.33Å; E1106-E1110 VanDerWaalsContact O-CB 3.27Å; E1106-E1110 WeakPolarHBondContact O-CB 3.44Å; E1106-E1110 PolarHBondContact O-N 2.96Å |
| 1107 | Q | 95.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 97.4 Ų | 97.4 | 20% | 0.201 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -73.6 | -31.9 | -178.7 | -80.8 | -66.5 | -60.6 | 0 | 0 | 114.2 | Y1103 V1104 E1105 E1110 R1111 | Y1103-Q1107 HydrophobicContact CD2-CG 4.05Å; Y1103-Q1107 HydrophobicContact CE1-CG 4.17Å; Y1103-Q1107 HydrophobicContact CE2-CG 3.6Å; Y1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; Y1103-Q1107 WeakPolarHBondContact O-CG 3.49Å; Y1103-Q1107 PolarHBondContact O-N 3.15Å; V1104-Q1107 PolarHBondContact O-N 2.75Å; E1105-Q1107 PolarHBondContact O-N 3.12Å; Q1107-E1110 PolarHBondContact NE2-OE2 3.2Å; Q1107-R1111 PolarHBondContact O-N 3.37Å; Q1107-R1111 PolarHBondContact O-NE 3.5Å; Q1107-R1111 PolarHBondContact O-NH1 2.89Å; Q1107-R1111 PolarHBondContact O-NH2 3.48Å |
| 1108 | T | 96.6 | Very high | 96 | Very high | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.1 | -40.4 | 170.9 | 52.7 | 0 | 0 | 0 | 0 | 111.1 | V1104 E1105 R1111 Q1112 | V1104-T1108 WeakPolarHBondContact O-CG2 3.45Å; V1104-T1108 PolarHBondContact O-N 2.92Å; V1104-T1108 PolarHBondContact O-OG1 2.92Å; E1105-T1108 WeakPolarHBondContact CA-OG1 3.34Å; E1105-T1108 PolarHBondContact O-N 3.41Å; E1105-T1108 PolarHBondContact O-OG1 3.48Å; T1108-R1111 PolarHBondContact O-N 2.92Å; T1108-Q1112 WeakPolarHBondContact O-CB 3.42Å; T1108-Q1112 PolarHBondContact O-N 3.11Å |
| 1109 | L | 97.6 | Very high | 96.2 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.7 | -175.6 | 63.1 | 0 | 0 | 0 | 111.9 | E1105 R1111 Q1112 V1113 | E1105-L1109 VanDerWaalsContact O-CB 3.28Å; E1105-L1109 WeakPolarHBondContact O-CB 3.34Å; E1105-L1109 PolarHBondContact O-N 2.96Å; L1109-R1111 VanDerWaalsContact C-N 3.34Å; L1109-R1111 PolarHBondContact O-N 3.5Å; L1109-Q1112 PolarHBondContact O-N 3.5Å; L1109-V1113 HydrophobicContact CD1-CG2 4.39Å; L1109-V1113 HydrophobicContact CG-CG2 4.5Å; L1109-V1113 WeakPolarHBondContact O-CB 3.49Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.45Å; L1109-V1113 PolarHBondContact O-N 2.77Å |
| 1110 | E | 96.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 174.1 | -179.6 | 177.8 | -145.8 | 0 | 0 | 110.7 | E1106 Q1107 Q1112 V1113 L1114 | E1106-E1110 VanDerWaalsContact O-CB 3.27Å; E1106-E1110 WeakPolarHBondContact O-CB 3.44Å; E1106-E1110 PolarHBondContact O-N 2.96Å; Q1107-E1110 PolarHBondContact NE2-OE2 3.2Å; E1110-Q1112 PolarHBondContact O-N 2.95Å; E1110-V1113 PolarHBondContact O-N 3.24Å; E1110-L1114 HydrophobicContact CG-CD1 3.86Å; E1110-L1114 HydrophobicContact CG-CG 4.34Å; E1110-L1114 WeakPolarHBondContact O-CB 3.4Å; E1110-L1114 VanDerWaalsContact O-CG 3.28Å; E1110-L1114 WeakPolarHBondContact O-CG 3.43Å; E1110-L1114 PolarHBondContact O-N 2.87Å |
| 1111 | R | 96 | Very high | 96.7 | Very high | 117 Ų | 117 | 98.7 Ų | 98.7 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.5 | -80.6 | -175.5 | -76.3 | -77.3 | 5.7 | 112.6 | Q1107 T1108 L1109 Q1115 | Q1107-R1111 PolarHBondContact O-N 3.37Å; Q1107-R1111 PolarHBondContact O-NE 3.5Å; Q1107-R1111 PolarHBondContact O-NH1 2.89Å; Q1107-R1111 PolarHBondContact O-NH2 3.48Å; T1108-R1111 PolarHBondContact O-N 2.92Å; L1109-R1111 VanDerWaalsContact C-N 3.34Å; L1109-R1111 PolarHBondContact O-N 3.5Å; R1111-Q1115 WeakPolarHBondContact O-CB 3.38Å; R1111-Q1115 VanDerWaalsContact O-CG 3.22Å; R1111-Q1115 WeakPolarHBondContact O-CG 3.45Å; R1111-Q1115 PolarHBondContact O-N 3.48Å |
| 1112 | Q | 97 | Very high | 96.8 | Very high | 131 Ų | 131 | 99.1 Ų | 99.1 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.5 | -173.7 | 179.2 | 1.4 | 0 | 0 | 111.8 | T1108 L1109 E1110 S1116 | T1108-Q1112 WeakPolarHBondContact O-CB 3.42Å; T1108-Q1112 PolarHBondContact O-N 3.11Å; L1109-Q1112 PolarHBondContact O-N 3.5Å; E1110-Q1112 PolarHBondContact O-N 2.95Å; Q1112-S1116 WeakPolarHBondContact O-CB 3.25Å; Q1112-S1116 PolarHBondContact O-N 3.48Å |
| 1113 | V | 97.8 | Very high | 97 | Very high | 70 Ų | 70 | 95.5 Ų | 95.5 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 176 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | L1109 E1110 Q1115 S1116 Q1117 | L1109-V1113 HydrophobicContact CD1-CG2 4.39Å; L1109-V1113 HydrophobicContact CG-CG2 4.5Å; L1109-V1113 WeakPolarHBondContact O-CB 3.49Å; L1109-V1113 WeakPolarHBondContact O-CG2 3.45Å; L1109-V1113 PolarHBondContact O-N 2.77Å; E1110-V1113 PolarHBondContact O-N 3.24Å; V1113-Q1115 PolarHBondContact O-N 3.49Å; V1113-S1116 PolarHBondContact O-N 2.91Å; V1113-S1116 VanDerWaalsContact O-N 3.13Å; V1113-S1116 PolarHBondContact O-OG 3.4Å; V1113-Q1117 HydrophobicContact CG1-CG 4.5Å; V1113-Q1117 WeakPolarHBondContact O-CG 3.48Å; V1113-Q1117 PolarHBondContact O-N 3.26Å |
| 1114 | L | 97.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 178.1 | -71.1 | 172.8 | 0 | 0 | 0 | 111.8 | E1110 S1116 Q1117 C1118 | E1110-L1114 HydrophobicContact CG-CD1 3.86Å; E1110-L1114 HydrophobicContact CG-CG 4.34Å; E1110-L1114 WeakPolarHBondContact O-CB 3.4Å; E1110-L1114 VanDerWaalsContact O-CG 3.28Å; E1110-L1114 WeakPolarHBondContact O-CG 3.43Å; E1110-L1114 PolarHBondContact O-N 2.87Å; L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.42Å; L1114-Q1117 PolarHBondContact O-N 3Å; L1114-Q1117 VanDerWaalsContact O-N 3.14Å; L1114-C1118 PolarHBondContact O-N 3.36Å; L1114-C1118 PolarHBondContact O-SG 3.26Å; L1114-C1118 VanDerWaalsContact O-SG 3.34Å |
| 1115 | Q | 97.6 | Very high | 97.2 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 175 | -74.5 | 175.5 | 11.3 | 0 | 0 | 112.6 | R1111 V1113 Q1117 C1118 R1119 | R1111-Q1115 WeakPolarHBondContact O-CB 3.38Å; R1111-Q1115 VanDerWaalsContact O-CG 3.22Å; R1111-Q1115 WeakPolarHBondContact O-CG 3.45Å; R1111-Q1115 PolarHBondContact O-N 3.48Å; V1113-Q1115 PolarHBondContact O-N 3.49Å; Q1115-Q1117 VanDerWaalsContact C-N 3.32Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å; Q1115-C1118 PolarHBondContact O-N 2.77Å; Q1115-R1119 WeakPolarHBondContact O-CG 3.46Å; Q1115-R1119 PolarHBondContact O-N 2.91Å |
| 1116 | S | 97.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 100.1 Ų | 100.1 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 176.6 | 81.5 | 0 | 0 | 0 | 0 | 112.7 | Q1112 V1113 L1114 R1120 | Q1112-S1116 WeakPolarHBondContact O-CB 3.25Å; Q1112-S1116 PolarHBondContact O-N 3.48Å; V1113-S1116 PolarHBondContact O-N 2.91Å; V1113-S1116 VanDerWaalsContact O-N 3.13Å; V1113-S1116 PolarHBondContact O-OG 3.4Å; L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.42Å; S1116-R1120 WeakPolarHBondContact O-CB 3.38Å; S1116-R1120 PolarHBondContact O-N 3.47Å; S1116-R1120 VanDerWaalsContact O-N 3.13Å |
| 1117 | Q | 97.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.9 | -37.9 | 177.3 | -60.7 | -62.6 | 9.5 | 0 | 0 | 111.9 | V1113 L1114 Q1115 R1120 L1121 | V1113-Q1117 HydrophobicContact CG1-CG 4.5Å; V1113-Q1117 WeakPolarHBondContact O-CG 3.48Å; V1113-Q1117 PolarHBondContact O-N 3.26Å; L1114-Q1117 PolarHBondContact O-N 3Å; L1114-Q1117 VanDerWaalsContact O-N 3.14Å; Q1115-Q1117 VanDerWaalsContact C-N 3.32Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å; Q1117-R1120 PolarHBondContact O-N 3.09Å; Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 VanDerWaalsContact O-CG 3.31Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.14Å; Q1117-L1121 PolarHBondContact O-N 3.47Å |
| 1118 | C | 97.2 | Very high | 97.5 | Very high | 62 Ų | 62 | 102.3 Ų | 102.3 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.6 | -52.2 | 171 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | L1114 Q1115 R1120 L1121 E1122 | L1114-C1118 PolarHBondContact O-N 3.36Å; L1114-C1118 PolarHBondContact O-SG 3.26Å; L1114-C1118 VanDerWaalsContact O-SG 3.34Å; Q1115-C1118 PolarHBondContact O-N 2.77Å; C1118-R1120 VanDerWaalsContact C-N 3.28Å; C1118-R1120 PolarHBondContact O-N 2.96Å; C1118-L1121 CarbonylContact O-C 3.6Å; C1118-L1121 PolarHBondContact O-N 3.34Å; C1118-L1121 VanDerWaalsContact O-N 3.09Å; C1118-E1122 WeakPolarHBondContact O-CB 3.4Å; C1118-E1122 VanDerWaalsContact O-CG 3.22Å; C1118-E1122 WeakPolarHBondContact O-CG 3.31Å; C1118-E1122 PolarHBondContact O-N 3.29Å |
| 1119 | R | 98 | Very high | 97.6 | Very high | 176 Ų | 176 | 101.2 Ų | 101.2 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.6 | -36.3 | 176.4 | -70.8 | 180 | -176.8 | -179.4 | 3 | 113.4 | Q1115 E1122 A1123 | Q1115-R1119 WeakPolarHBondContact O-CG 3.46Å; Q1115-R1119 PolarHBondContact O-N 2.91Å; R1119-E1122 WeakPolarHBondContact CA-OE2 3.17Å; R1119-A1123 WeakPolarHBondContact O-CB 3.45Å; R1119-A1123 PolarHBondContact O-N 2.73Å |
| 1120 | R | 98 | Very high | 97.6 | Very high | 133 Ų | 133 | 100.5 Ų | 100.5 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 175.5 | -165.4 | -166 | -50 | -91.4 | -4.7 | 111.6 | S1116 Q1117 C1118 Q1124 | S1116-R1120 WeakPolarHBondContact O-CB 3.38Å; S1116-R1120 PolarHBondContact O-N 3.47Å; S1116-R1120 VanDerWaalsContact O-N 3.13Å; Q1117-R1120 PolarHBondContact O-N 3.09Å; C1118-R1120 VanDerWaalsContact C-N 3.28Å; C1118-R1120 PolarHBondContact O-N 2.96Å; R1120-Q1124 WeakPolarHBondContact O-CB 3.38Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.42Å; R1120-Q1124 PolarHBondContact O-N 2.85Å |
| 1121 | L | 97.7 | Very high | 97.7 | Very high | 105 Ų | 105 | 99 Ų | 99 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 178.6 | -70 | 168.9 | 0 | 0 | 0 | 112 | Q1117 C1118 Q1124 N1125 | Q1117-L1121 WeakPolarHBondContact O-CB 3.45Å; Q1117-L1121 VanDerWaalsContact O-CG 3.31Å; Q1117-L1121 WeakPolarHBondContact O-CG 3.14Å; Q1117-L1121 PolarHBondContact O-N 3.47Å; C1118-L1121 CarbonylContact O-C 3.6Å; C1118-L1121 PolarHBondContact O-N 3.34Å; C1118-L1121 VanDerWaalsContact O-N 3.09Å; L1121-Q1124 PolarHBondContact O-N 3.1Å; L1121-N1125 VanDerWaalsContact O-CB 3.23Å; L1121-N1125 WeakPolarHBondContact O-CB 3.29Å; L1121-N1125 PolarHBondContact O-N 2.84Å |
| 1122 | E | 97.4 | Very high | 97.8 | Very high | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.8 | -49.8 | 171.4 | -73.5 | 155.2 | -160 | 0 | 0 | 110.6 | C1118 R1119 Q1124 N1125 Y1126 | C1118-E1122 WeakPolarHBondContact O-CB 3.4Å; C1118-E1122 VanDerWaalsContact O-CG 3.22Å; C1118-E1122 WeakPolarHBondContact O-CG 3.31Å; C1118-E1122 PolarHBondContact O-N 3.29Å; R1119-E1122 WeakPolarHBondContact CA-OE2 3.17Å; E1122-Q1124 PolarHBondContact O-N 3.13Å; E1122-N1125 PolarHBondContact O-N 3.07Å; E1122-Y1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Y1126 PolarHBondContact O-N 3.01Å |
| 1123 | A | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1119 N1127 | R1119-A1123 WeakPolarHBondContact O-CB 3.45Å; R1119-A1123 PolarHBondContact O-N 2.73Å; A1123-N1127 PolarHBondContact O-N 2.92Å; A1123-N1127 VanDerWaalsContact O-N 3.09Å; A1123-N1127 PolarHBondContact O-ND2 3.4Å |
| 1124 | Q | 97.9 | Very high | 97.8 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 174.7 | -77 | 177.1 | -20.4 | 0 | 0 | 112 | R1120 L1121 E1122 N1127 L1128 | R1120-Q1124 WeakPolarHBondContact O-CB 3.38Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.42Å; R1120-Q1124 PolarHBondContact O-N 2.85Å; L1121-Q1124 PolarHBondContact O-N 3.1Å; E1122-Q1124 PolarHBondContact O-N 3.13Å; Q1124-N1127 PolarHBondContact O-N 2.95Å; Q1124-L1128 WeakPolarHBondContact O-CB 3.48Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.47Å; Q1124-L1128 PolarHBondContact O-N 2.99Å |
| 1125 | N | 97.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 178.2 | -168.3 | 5.3 | 0 | 0 | 0 | 111.8 | L1121 E1122 L1128 S1129 | L1121-N1125 VanDerWaalsContact O-CB 3.23Å; L1121-N1125 WeakPolarHBondContact O-CB 3.29Å; L1121-N1125 PolarHBondContact O-N 2.84Å; E1122-N1125 PolarHBondContact O-N 3.07Å; N1125-L1128 PolarHBondContact O-N 3.43Å; N1125-S1129 WeakPolarHBondContact O-CB 3.47Å; N1125-S1129 PolarHBondContact O-N 3.01Å; N1125-S1129 PolarHBondContact O-OG 3.25Å |
| 1126 | Y | 98.1 | Very high | 97.9 | Very high | 151 Ų | 151 | 99 Ų | 99 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -48.5 | 172.2 | 178.4 | -97.8 | 0 | 0 | 0 | 111.9 | E1122 L1128 S1129 L1130 | E1122-Y1126 WeakPolarHBondContact O-CB 3.32Å; E1122-Y1126 PolarHBondContact O-N 3.01Å; Y1126-L1128 PolarHBondContact O-N 3.42Å; Y1126-S1129 WeakPolarHBondContact O-CB 3.48Å; Y1126-S1129 PolarHBondContact O-N 3.2Å; Y1126-L1130 PolarHBondContact O-N 3.19Å |
| 1127 | N | 98.2 | Very high | 97.9 | Very high | 96 Ų | 96 | 102.6 Ų | 102.6 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.5 | -78.8 | -74 | 0 | 0 | 0 | 112.1 | A1123 Q1124 S1129 L1130 T1131 | A1123-N1127 PolarHBondContact O-N 2.92Å; A1123-N1127 VanDerWaalsContact O-N 3.09Å; A1123-N1127 PolarHBondContact O-ND2 3.4Å; Q1124-N1127 PolarHBondContact O-N 2.95Å; N1127-S1129 VanDerWaalsContact C-N 3.34Å; N1127-S1129 PolarHBondContact O-N 3.43Å; N1127-L1130 PolarHBondContact O-N 2.9Å; N1127-T1131 WeakPolarHBondContact O-CG2 3.46Å; N1127-T1131 PolarHBondContact O-N 2.96Å; N1127-T1131 PolarHBondContact O-OG1 2.9Å |
| 1128 | L | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 175.7 | -73.5 | 170 | 0 | 0 | 0 | 111.8 | Q1124 N1125 Y1126 T1131 A1132 | Q1124-L1128 WeakPolarHBondContact O-CB 3.48Å; Q1124-L1128 WeakPolarHBondContact O-CG 3.47Å; Q1124-L1128 PolarHBondContact O-N 2.99Å; N1125-L1128 PolarHBondContact O-N 3.43Å; Y1126-L1128 PolarHBondContact O-N 3.42Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.47Å; L1128-T1131 PolarHBondContact O-N 2.87Å; L1128-T1131 PolarHBondContact O-OG1 3.15Å; L1128-A1132 WeakPolarHBondContact O-CB 3.48Å; L1128-A1132 PolarHBondContact O-N 2.98Å |
| 1129 | S | 97.7 | Very high | 98 | Very high | 54 Ų | 54 | 103.9 Ų | 103.9 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | N1125 Y1126 N1127 T1131 A1132 E1133 | N1125-S1129 WeakPolarHBondContact O-CB 3.47Å; N1125-S1129 PolarHBondContact O-N 3.01Å; N1125-S1129 PolarHBondContact O-OG 3.25Å; Y1126-S1129 WeakPolarHBondContact O-CB 3.48Å; Y1126-S1129 PolarHBondContact O-N 3.2Å; N1127-S1129 VanDerWaalsContact C-N 3.34Å; N1127-S1129 PolarHBondContact O-N 3.43Å; S1129-T1131 PolarHBondContact O-N 3.45Å; S1129-A1132 WeakPolarHBondContact O-CB 3.35Å; S1129-A1132 PolarHBondContact O-N 3.4Å; S1129-A1132 VanDerWaalsContact O-N 3.11Å; S1129-E1133 PolarHBondContact O-N 3.42Å |
| 1130 | L | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 97.5 Ų | 97.5 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.3 | -176.5 | 65.4 | 0 | 0 | 0 | 112 | Y1126 N1127 A1132 E1133 Q1134 | Y1126-L1130 PolarHBondContact O-N 3.19Å; N1127-L1130 PolarHBondContact O-N 2.9Å; L1130-A1132 VanDerWaalsContact C-N 3.33Å; L1130-A1132 PolarHBondContact O-N 3.44Å; L1130-E1133 PolarHBondContact O-N 2.94Å; L1130-Q1134 PolarHBondContact O-N 2.87Å |
| 1131 | T | 98.2 | Very high | 98 | Very high | 67 Ų | 67 | 95.7 Ų | 95.7 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -34.3 | 174.9 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | N1127 L1128 S1129 Q1134 L1135 | N1127-T1131 WeakPolarHBondContact O-CG2 3.46Å; N1127-T1131 PolarHBondContact O-N 2.96Å; N1127-T1131 PolarHBondContact O-OG1 2.9Å; L1128-T1131 WeakPolarHBondContact CA-OG1 3.47Å; L1128-T1131 PolarHBondContact O-N 2.87Å; L1128-T1131 PolarHBondContact O-OG1 3.15Å; S1129-T1131 PolarHBondContact O-N 3.45Å; T1131-Q1134 PolarHBondContact O-N 3.49Å; T1131-L1135 WeakPolarHBondContact O-CB 3.46Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.42Å; T1131-L1135 PolarHBondContact O-N 3.41Å |
| 1132 | A | 97.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L1128 S1129 L1130 L1135 S1136 | L1128-A1132 WeakPolarHBondContact O-CB 3.48Å; L1128-A1132 PolarHBondContact O-N 2.98Å; S1129-A1132 WeakPolarHBondContact O-CB 3.35Å; S1129-A1132 PolarHBondContact O-N 3.4Å; S1129-A1132 VanDerWaalsContact O-N 3.11Å; L1130-A1132 VanDerWaalsContact C-N 3.33Å; L1130-A1132 PolarHBondContact O-N 3.44Å; A1132-L1135 PolarHBondContact O-N 2.9Å; A1132-S1136 VanDerWaalsContact O-CB 3.29Å; A1132-S1136 WeakPolarHBondContact O-CB 3.48Å; A1132-S1136 PolarHBondContact O-N 2.99Å |
| 1133 | E | 98 | Very high | 98.1 | Very high | 135 Ų | 135 | 93.8 Ų | 93.8 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 171.8 | -71.7 | -177.5 | 174.3 | 0 | 0 | 111.8 | S1129 L1130 S1136 H1137 | S1129-E1133 PolarHBondContact O-N 3.42Å; L1130-E1133 PolarHBondContact O-N 2.94Å; E1133-S1136 WeakPolarHBondContact O-CB 3.44Å; E1133-S1136 PolarHBondContact O-N 3.39Å; E1133-H1137 PolarHBondContact O-N 2.88Å |
| 1134 | Q | 98.3 | Very high | 98.1 | Very high | 131 Ų | 131 | 95 Ų | 95 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | 176.5 | -167.3 | 174.9 | 13.3 | 0 | 0 | 112.6 | L1130 T1131 H1137 T1138 | L1130-Q1134 PolarHBondContact O-N 2.87Å; T1131-Q1134 PolarHBondContact O-N 3.49Å; Q1134-H1137 PolarHBondContact O-N 3.46Å; Q1134-T1138 PolarHBondContact O-N 3.01Å; Q1134-T1138 PolarHBondContact O-OG1 3.5Å |
| 1135 | L | 98.3 | Very high | 98.1 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.4 | -35.3 | 172.2 | -72.3 | 171.4 | 0 | 0 | 0 | 112 | T1131 A1132 T1138 M1139 | T1131-L1135 WeakPolarHBondContact O-CB 3.46Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.42Å; T1131-L1135 PolarHBondContact O-N 3.41Å; A1132-L1135 PolarHBondContact O-N 2.9Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; L1135-T1138 PolarHBondContact O-OG1 3.43Å; L1135-M1139 WeakPolarHBondContact O-CB 3.34Å; L1135-M1139 PolarHBondContact O-N 2.95Å |
| 1136 | S | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | A1132 E1133 M1139 G1140 | A1132-S1136 VanDerWaalsContact O-CB 3.29Å; A1132-S1136 WeakPolarHBondContact O-CB 3.48Å; A1132-S1136 PolarHBondContact O-N 2.99Å; E1133-S1136 WeakPolarHBondContact O-CB 3.44Å; E1133-S1136 PolarHBondContact O-N 3.39Å; S1136-M1139 PolarHBondContact O-N 2.91Å; S1136-G1140 PolarHBondContact O-N 3.05Å |
| 1137 | H | 98.2 | Very high | 98.1 | Very high | 124 Ų | 124 | 97.6 Ų | 97.6 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -52.6 | 177 | -170.1 | 68.8 | 0 | 0 | 0 | 112 | E1133 Q1134 M1139 G1140 E1141 | E1133-H1137 PolarHBondContact O-N 2.88Å; Q1134-H1137 PolarHBondContact O-N 3.46Å; H1137-M1139 VanDerWaalsContact C-N 3.32Å; H1137-M1139 PolarHBondContact O-N 3.27Å; H1137-G1140 WeakPolarHBondContact O-CA 3.38Å; H1137-G1140 PolarHBondContact O-N 3.45Å; H1137-E1141 PolarHBondContact O-N 3.09Å |
| 1138 | T | 98.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 99.2 Ų | 99.2 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | Q1134 L1135 E1141 L1142 | Q1134-T1138 PolarHBondContact O-N 3.01Å; Q1134-T1138 PolarHBondContact O-OG1 3.5Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.47Å; L1135-T1138 PolarHBondContact O-OG1 3.43Å; T1138-E1141 PolarHBondContact O-N 3.42Å; T1138-L1142 WeakPolarHBondContact O-CB 3.46Å; T1138-L1142 PolarHBondContact O-N 3.42Å |
| 1139 | M | 97.9 | Very high | 98.2 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 168.7 | -177.2 | 61.7 | 64.9 | 0 | 0 | 111.8 | L1135 S1136 H1137 L1142 M1143 | L1135-M1139 WeakPolarHBondContact O-CB 3.34Å; L1135-M1139 PolarHBondContact O-N 2.95Å; S1136-M1139 PolarHBondContact O-N 2.91Å; H1137-M1139 VanDerWaalsContact C-N 3.32Å; H1137-M1139 PolarHBondContact O-N 3.27Å; M1139-L1142 PolarHBondContact O-N 3.1Å; M1139-M1143 HydrophobicContact CG-CG 4.42Å; M1139-M1143 VanDerWaalsContact O-CB 3.31Å; M1139-M1143 WeakPolarHBondContact O-CB 3.36Å; M1139-M1143 WeakPolarHBondContact O-CG 3.44Å; M1139-M1143 PolarHBondContact O-N 3.12Å; M1139-M1143 HydrophobicContact SD-CG 4.24Å |
| 1140 | G | 98.3 | Very high | 98.2 | Very high | 41 Ų | 41 | 99.1 Ų | 99.1 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1136 H1137 M1143 S1144 | S1136-G1140 PolarHBondContact O-N 3.05Å; H1137-G1140 WeakPolarHBondContact O-CA 3.38Å; H1137-G1140 PolarHBondContact O-N 3.45Å; G1140-M1143 PolarHBondContact O-N 3.4Å; G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 3.15Å |
| 1141 | E | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 99 Ų | 99 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 173.8 | -65.4 | -175.4 | 118.7 | 0 | 0 | 111.8 | H1137 T1138 M1143 S1144 Q1145 | H1137-E1141 PolarHBondContact O-N 3.09Å; T1138-E1141 PolarHBondContact O-N 3.42Å; E1141-M1143 VanDerWaalsContact C-N 3.32Å; E1141-M1143 PolarHBondContact O-N 2.89Å; E1141-S1144 WeakPolarHBondContact O-CB 3.37Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1141-S1144 VanDerWaalsContact O-N 3.15Å; E1141-Q1145 WeakPolarHBondContact O-CG 3.27Å; E1141-Q1145 PolarHBondContact O-N 3.48Å |
| 1142 | L | 98.5 | Very high | 98.2 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 179 | -177.1 | 63.7 | 0 | 0 | 0 | 111.9 | T1138 M1139 Q1145 R1146 | T1138-L1142 WeakPolarHBondContact O-CB 3.46Å; T1138-L1142 PolarHBondContact O-N 3.42Å; M1139-L1142 PolarHBondContact O-N 3.1Å; L1142-Q1145 PolarHBondContact O-N 3.28Å; L1142-R1146 WeakPolarHBondContact O-CB 3.37Å; L1142-R1146 PolarHBondContact O-N 2.98Å |
| 1143 | M | 98.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 104.7 Ų | 104.7 | 41% | 0.409 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 175.5 | -73.3 | -76.8 | -79.9 | 0 | 0 | 112.2 | M1139 G1140 E1141 R1146 Q1147 | M1139-M1143 HydrophobicContact CG-CG 4.42Å; M1139-M1143 VanDerWaalsContact O-CB 3.31Å; M1139-M1143 WeakPolarHBondContact O-CB 3.36Å; M1139-M1143 WeakPolarHBondContact O-CG 3.44Å; M1139-M1143 PolarHBondContact O-N 3.12Å; M1139-M1143 HydrophobicContact SD-CG 4.24Å; G1140-M1143 PolarHBondContact O-N 3.4Å; E1141-M1143 VanDerWaalsContact C-N 3.32Å; E1141-M1143 PolarHBondContact O-N 2.89Å; M1143-R1146 PolarHBondContact O-N 2.83Å; M1143-R1146 PolarHBondContact SD-NH1 2.88Å; M1143-Q1147 PolarHBondContact O-N 2.95Å |
| 1144 | S | 98.1 | Very high | 98.2 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | G1140 E1141 R1146 Q1147 K1148 | G1140-S1144 WeakPolarHBondContact O-CB 3.4Å; G1140-S1144 PolarHBondContact O-N 3.15Å; E1141-S1144 WeakPolarHBondContact O-CB 3.37Å; E1141-S1144 PolarHBondContact O-N 2.84Å; E1141-S1144 VanDerWaalsContact O-N 3.15Å; S1144-R1146 PolarHBondContact O-N 3.17Å; S1144-Q1147 PolarHBondContact O-N 3.16Å; S1144-K1148 PolarHBondContact O-N 3.1Å |
| 1145 | Q | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 173.9 | -68.9 | 178 | 21.4 | 0 | 0 | 111.6 | E1141 L1142 Q1147 K1148 L1149 | E1141-Q1145 WeakPolarHBondContact O-CG 3.27Å; E1141-Q1145 PolarHBondContact O-N 3.48Å; L1142-Q1145 PolarHBondContact O-N 3.28Å; Q1145-Q1147 VanDerWaalsContact C-N 3.33Å; Q1145-Q1147 PolarHBondContact O-N 2.83Å; Q1145-K1148 WeakPolarHBondContact O-CB 3.45Å; Q1145-K1148 PolarHBondContact O-N 2.97Å; Q1145-L1149 WeakPolarHBondContact O-CG 3.25Å; Q1145-L1149 PolarHBondContact O-N 2.98Å |
| 1146 | R | 98 | Very high | 98.1 | Very high | 161 Ų | 161 | 103.4 Ų | 103.4 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 175.3 | -169.5 | -166.8 | 72.3 | 172.8 | 4 | 112 | L1142 M1143 S1144 A1150 | L1142-R1146 WeakPolarHBondContact O-CB 3.37Å; L1142-R1146 PolarHBondContact O-N 2.98Å; M1143-R1146 PolarHBondContact O-N 2.83Å; M1143-R1146 PolarHBondContact SD-NH1 2.88Å; S1144-R1146 PolarHBondContact O-N 3.17Å; R1146-A1150 WeakPolarHBondContact O-CB 3.43Å; R1146-A1150 PolarHBondContact O-N 3.16Å |
| 1147 | Q | 98.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 175 | -176.2 | 175.1 | -3.3 | 0 | 0 | 111.6 | M1143 S1144 Q1145 A1150 V1151 | M1143-Q1147 PolarHBondContact O-N 2.95Å; S1144-Q1147 PolarHBondContact O-N 3.16Å; Q1145-Q1147 VanDerWaalsContact C-N 3.33Å; Q1145-Q1147 PolarHBondContact O-N 2.83Å; Q1147-A1150 WeakPolarHBondContact O-CB 3.28Å; Q1147-A1150 PolarHBondContact O-N 3.36Å; Q1147-V1151 WeakPolarHBondContact O-CG2 3.46Å; Q1147-V1151 PolarHBondContact O-N 2.83Å |
| 1148 | K | 98.3 | Very high | 98 | Very high | 130 Ų | 130 | 100.2 Ų | 100.2 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 175.7 | -173.9 | 175 | -179.4 | -74.2 | 0 | 111.7 | S1144 Q1145 A1150 V1151 E1152 | S1144-K1148 PolarHBondContact O-N 3.1Å; Q1145-K1148 WeakPolarHBondContact O-CB 3.45Å; Q1145-K1148 PolarHBondContact O-N 2.97Å; K1148-A1150 VanDerWaalsContact C-N 3.31Å; K1148-A1150 PolarHBondContact O-N 2.9Å; K1148-V1151 PolarHBondContact O-N 3.41Å; K1148-E1152 WeakPolarHBondContact CE-OE1 3.19Å; K1148-E1152 IonicContact NZ-OE1 2.62Å; K1148-E1152 PolarHBondContact NZ-OE1 3.25Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.43Å |
| 1149 | L | 98.3 | Very high | 97.9 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -34.3 | 175.5 | -69.9 | 172.1 | 0 | 0 | 0 | 112.7 | Q1145 R1153 | Q1145-L1149 WeakPolarHBondContact O-CG 3.25Å; Q1145-L1149 PolarHBondContact O-N 2.98Å; L1149-R1153 VanDerWaalsContact O-CB 3.31Å; L1149-R1153 WeakPolarHBondContact O-CB 3.45Å; L1149-R1153 PolarHBondContact O-N 2.94Å |
| 1150 | A | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 100.3 Ų | 100.3 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1146 Q1147 K1148 R1153 E1154 | R1146-A1150 WeakPolarHBondContact O-CB 3.43Å; R1146-A1150 PolarHBondContact O-N 3.16Å; Q1147-A1150 WeakPolarHBondContact O-CB 3.28Å; Q1147-A1150 PolarHBondContact O-N 3.36Å; K1148-A1150 VanDerWaalsContact C-N 3.31Å; K1148-A1150 PolarHBondContact O-N 2.9Å; A1150-R1153 PolarHBondContact O-N 3.37Å; A1150-E1154 WeakPolarHBondContact O-CB 3.25Å; A1150-E1154 PolarHBondContact O-N 3.49Å |
| 1151 | V | 98.3 | Very high | 97.7 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Q1147 K1148 E1154 K1155 | Q1147-V1151 WeakPolarHBondContact O-CG2 3.46Å; Q1147-V1151 PolarHBondContact O-N 2.83Å; K1148-V1151 PolarHBondContact O-N 3.41Å; V1151-E1154 PolarHBondContact O-N 3.46Å; V1151-K1155 WeakPolarHBondContact O-CB 3.49Å; V1151-K1155 PolarHBondContact O-N 3.48Å |
| 1152 | E | 98 | Very high | 97.5 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 173.8 | -74.6 | 171.1 | -176.7 | 0 | 0 | 111.6 | K1148 K1155 L1156 | K1148-E1152 WeakPolarHBondContact CE-OE1 3.19Å; K1148-E1152 IonicContact NZ-OE1 2.62Å; K1148-E1152 PolarHBondContact NZ-OE1 3.25Å; K1148-E1152 WeakPolarHBondContact O-CG 3.43Å; K1148-E1152 PolarHBondContact O-N 3.43Å; E1152-K1155 PolarHBondContact O-N 3.36Å; E1152-L1156 WeakPolarHBondContact O-CG 3.25Å; E1152-L1156 PolarHBondContact O-N 3.14Å |
| 1153 | R | 98.1 | Very high | 97.3 | Very high | 166 Ų | 166 | 103.3 Ų | 103.3 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 172 | 176.4 | -179.2 | 169.9 | -78.8 | -5.3 | 112.3 | L1149 A1150 L1156 Q1157 | L1149-R1153 VanDerWaalsContact O-CB 3.31Å; L1149-R1153 WeakPolarHBondContact O-CB 3.45Å; L1149-R1153 PolarHBondContact O-N 2.94Å; A1150-R1153 PolarHBondContact O-N 3.37Å; R1153-L1156 PolarHBondContact O-N 2.87Å; R1153-Q1157 WeakPolarHBondContact O-CB 3.44Å; R1153-Q1157 PolarHBondContact O-N 3.25Å |
| 1154 | E | 97.9 | Very high | 97.1 | Very high | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.9 | -174.8 | 177.6 | -177.2 | 0 | 0 | 111.3 | A1150 V1151 Q1157 A1158 | A1150-E1154 WeakPolarHBondContact O-CB 3.25Å; A1150-E1154 PolarHBondContact O-N 3.49Å; V1151-E1154 PolarHBondContact O-N 3.46Å; E1154-Q1157 PolarHBondContact O-N 2.85Å; E1154-A1158 WeakPolarHBondContact O-CB 3.32Å; E1154-A1158 PolarHBondContact O-N 2.89Å |
| 1155 | K | 98.1 | Very high | 96.8 | Very high | 125 Ų | 125 | 109.9 Ų | 109.9 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173.9 | 179.5 | 176.6 | 179.7 | -68.2 | 0 | 112 | V1151 E1152 Q1157 A1158 E1159 | V1151-K1155 WeakPolarHBondContact O-CB 3.49Å; V1151-K1155 PolarHBondContact O-N 3.48Å; E1152-K1155 PolarHBondContact O-N 3.36Å; K1155-Q1157 VanDerWaalsContact C-N 3.31Å; K1155-Q1157 PolarHBondContact O-N 3.44Å; K1155-A1158 PolarHBondContact O-N 3.43Å; K1155-E1159 WeakPolarHBondContact CE-OE1 3.31Å; K1155-E1159 IonicContact NZ-OE1 2.61Å; K1155-E1159 PolarHBondContact NZ-OE1 2.9Å; K1155-E1159 WeakPolarHBondContact O-CG 3.47Å; K1155-E1159 PolarHBondContact O-N 2.98Å |
| 1156 | L | 97.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 176.4 | -72 | 169.9 | 0 | 0 | 0 | 112.2 | E1152 R1153 E1159 L1160 | E1152-L1156 WeakPolarHBondContact O-CG 3.25Å; E1152-L1156 PolarHBondContact O-N 3.14Å; R1153-L1156 PolarHBondContact O-N 2.87Å; L1156-E1159 PolarHBondContact O-N 2.93Å; L1156-L1160 WeakPolarHBondContact O-CB 3.43Å; L1156-L1160 VanDerWaalsContact O-CG 3.32Å; L1156-L1160 WeakPolarHBondContact O-CG 3.49Å; L1156-L1160 PolarHBondContact O-N 3.46Å |
| 1157 | Q | 97.2 | Very high | 95.8 | Very high | 86 Ų | 86 | 107.3 Ų | 107.3 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 173.9 | -174.6 | 177.2 | -37.7 | 0 | 0 | 111.6 | R1153 E1154 K1155 E1159 L1160 E1161 | R1153-Q1157 WeakPolarHBondContact O-CB 3.44Å; R1153-Q1157 PolarHBondContact O-N 3.25Å; E1154-Q1157 PolarHBondContact O-N 2.85Å; K1155-Q1157 VanDerWaalsContact C-N 3.31Å; K1155-Q1157 PolarHBondContact O-N 3.44Å; Q1157-E1159 VanDerWaalsContact C-N 3.32Å; Q1157-E1159 PolarHBondContact O-N 3.2Å; Q1157-L1160 PolarHBondContact O-N 3.31Å; Q1157-E1161 PolarHBondContact NE2-OE1 3.22Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.44Å; Q1157-E1161 WeakPolarHBondContact O-CG 3.33Å; Q1157-E1161 PolarHBondContact O-N 2.9Å |
| 1158 | A | 96.9 | Very high | 94.5 | Very high | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1154 K1155 E1161 H1162 | E1154-A1158 WeakPolarHBondContact O-CB 3.32Å; E1154-A1158 PolarHBondContact O-N 2.89Å; K1155-A1158 PolarHBondContact O-N 3.43Å; A1158-E1161 PolarHBondContact O-N 2.94Å; A1158-H1162 WeakPolarHBondContact O-CB 3.44Å; A1158-H1162 PolarHBondContact O-N 3.06Å |
| 1159 | E | 96.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 107 Ų | 107 | 34% | 0.341 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 171.5 | -75 | 169.2 | -164.4 | 0 | 0 | 111.6 | K1155 L1156 Q1157 E1161 H1162 F1163 | K1155-E1159 WeakPolarHBondContact CE-OE1 3.31Å; K1155-E1159 IonicContact NZ-OE1 2.61Å; K1155-E1159 PolarHBondContact NZ-OE1 2.9Å; K1155-E1159 WeakPolarHBondContact O-CG 3.47Å; K1155-E1159 PolarHBondContact O-N 2.98Å; L1156-E1159 PolarHBondContact O-N 2.93Å; Q1157-E1159 VanDerWaalsContact C-N 3.32Å; Q1157-E1159 PolarHBondContact O-N 3.2Å; E1159-E1161 VanDerWaalsContact C-N 3.32Å; E1159-E1161 PolarHBondContact O-N 3.21Å; E1159-H1162 WeakPolarHBondContact O-CB 3.49Å; E1159-H1162 PolarHBondContact O-N 3.11Å; E1159-H1162 VanDerWaalsContact O-N 3.14Å; E1159-F1163 HydrophobicContact CB-CE2 4.42Å; E1159-F1163 WeakPolarHBondContact O-CD2 3.41Å; E1159-F1163 PolarHBondContact O-N 2.84Å |
| 1160 | L | 96.3 | Very high | 90.6 | Very high | 100 Ų | 100 | 106.6 Ų | 106.6 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 174.3 | -73.5 | 170.9 | 0 | 0 | 0 | 112.7 | L1156 Q1157 F1163 R1164 | L1156-L1160 WeakPolarHBondContact O-CB 3.43Å; L1156-L1160 VanDerWaalsContact O-CG 3.32Å; L1156-L1160 WeakPolarHBondContact O-CG 3.49Å; L1156-L1160 PolarHBondContact O-N 3.46Å; Q1157-L1160 PolarHBondContact O-N 3.31Å; L1160-F1163 PolarHBondContact O-N 2.92Å; L1160-R1164 WeakPolarHBondContact O-CB 3.42Å; L1160-R1164 VanDerWaalsContact O-CG 3.25Å; L1160-R1164 WeakPolarHBondContact O-CG 3.48Å; L1160-R1164 PolarHBondContact O-N 2.88Å |
| 1161 | E | 95 | Very high | 88.3 | Confident | 68 Ų | 68 | 113 Ų | 113 | 32% | 0.318 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.8 | -33.5 | 173.5 | -75.8 | -178.2 | -150.2 | 0 | 0 | 112.7 | Q1157 A1158 E1159 K1165 | Q1157-E1161 PolarHBondContact NE2-OE1 3.22Å; Q1157-E1161 WeakPolarHBondContact O-CB 3.44Å; Q1157-E1161 WeakPolarHBondContact O-CG 3.33Å; Q1157-E1161 PolarHBondContact O-N 2.9Å; A1158-E1161 PolarHBondContact O-N 2.94Å; E1159-E1161 VanDerWaalsContact C-N 3.32Å; E1159-E1161 PolarHBondContact O-N 3.21Å; E1161-K1165 WeakPolarHBondContact O-CB 3.49Å; E1161-K1165 VanDerWaalsContact O-CD 3.25Å; E1161-K1165 WeakPolarHBondContact O-CD 3.42Å; E1161-K1165 WeakPolarHBondContact O-CG 3.35Å; E1161-K1165 PolarHBondContact O-N 2.61Å; E1161-K1165 IonicContact OE2-NZ 3.6Å |
| 1162 | H | 94.7 | Very high | 85.8 | Confident | 112 Ų | 112 | 113.7 Ų | 113.7 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -47.7 | 170.7 | 178.2 | 68.8 | 0 | 0 | 0 | 111.1 | A1158 E1159 R1164 K1165 C1166 | A1158-H1162 WeakPolarHBondContact O-CB 3.44Å; A1158-H1162 PolarHBondContact O-N 3.06Å; E1159-H1162 WeakPolarHBondContact O-CB 3.49Å; E1159-H1162 PolarHBondContact O-N 3.11Å; E1159-H1162 VanDerWaalsContact O-N 3.14Å; H1162-R1164 VanDerWaalsContact C-N 3.31Å; H1162-R1164 PolarHBondContact O-N 2.94Å; H1162-K1165 PolarHBondContact O-N 2.62Å; H1162-K1165 VanDerWaalsContact O-N 3.1Å; H1162-C1166 VanDerWaalsContact CE1-SG 3.57Å; H1162-C1166 PolarHBondContact O-N 2.87Å; H1162-C1166 PolarHBondContact O-SG 2.85Å; H1162-C1166 VanDerWaalsContact O-SG 3.36Å |
| 1163 | F | 94.6 | Very high | 83.3 | Confident | 122 Ų | 122 | 118.3 Ų | 118.3 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.9 | -41.2 | 174 | -70.8 | -59.2 | 0 | 0 | 0 | 112 | E1159 L1160 C1166 L1167 | E1159-F1163 HydrophobicContact CB-CE2 4.42Å; E1159-F1163 WeakPolarHBondContact O-CD2 3.41Å; E1159-F1163 PolarHBondContact O-N 2.84Å; L1160-F1163 PolarHBondContact O-N 2.92Å; F1163-C1166 PolarHBondContact O-N 3.42Å; F1163-L1167 WeakPolarHBondContact O-CB 3.27Å; F1163-L1167 VanDerWaalsContact O-CG 3.27Å; F1163-L1167 WeakPolarHBondContact O-CG 3.07Å; F1163-L1167 PolarHBondContact O-N 3.37Å |
| 1164 | R | 93.3 | Very high | 80.8 | Confident | 163 Ų | 163 | 120.5 Ų | 120.5 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.4 | -47 | 172.2 | -75.4 | 167.3 | 178.1 | 173.5 | -0.9 | 112 | L1160 H1162 C1166 L1167 T1168 | L1160-R1164 WeakPolarHBondContact O-CB 3.42Å; L1160-R1164 VanDerWaalsContact O-CG 3.25Å; L1160-R1164 WeakPolarHBondContact O-CG 3.48Å; L1160-R1164 PolarHBondContact O-N 2.88Å; H1162-R1164 VanDerWaalsContact C-N 3.31Å; H1162-R1164 PolarHBondContact O-N 2.94Å; R1164-C1166 VanDerWaalsContact C-N 3.27Å; R1164-C1166 PolarHBondContact O-N 3.24Å; R1164-L1167 CarbonylContact O-C 3.59Å; R1164-L1167 PolarHBondContact O-N 2.86Å; R1164-L1167 VanDerWaalsContact O-N 3.16Å; R1164-T1168 WeakPolarHBondContact O-CG2 3.48Å; R1164-T1168 PolarHBondContact O-N 3.02Å; R1164-T1168 PolarHBondContact O-OG1 3.24Å |
| 1165 | K | 91.1 | Very high | 78.4 | Confident | 134 Ų | 134 | 119.7 Ų | 119.7 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -31.3 | 177.4 | -70.6 | 156.9 | -168.5 | 158.9 | 0 | 112.8 | E1161 H1162 T1168 | E1161-K1165 WeakPolarHBondContact O-CB 3.49Å; E1161-K1165 VanDerWaalsContact O-CD 3.25Å; E1161-K1165 WeakPolarHBondContact O-CD 3.42Å; E1161-K1165 WeakPolarHBondContact O-CG 3.35Å; E1161-K1165 PolarHBondContact O-N 2.61Å; E1161-K1165 IonicContact OE2-NZ 3.6Å; H1162-K1165 PolarHBondContact O-N 2.62Å; H1162-K1165 VanDerWaalsContact O-N 3.1Å; K1165-T1168 WeakPolarHBondContact CA-OG1 3.49Å; K1165-T1168 PolarHBondContact O-OG1 3.31Å |
| 1166 | C | 88.6 | Confident | 76.1 | Confident | 84 Ų | 84 | 125.9 Ų | 125.9 | 57% | 0.568 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.5 | -26.8 | 174.8 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | H1162 F1163 R1164 | H1162-C1166 VanDerWaalsContact CE1-SG 3.57Å; H1162-C1166 PolarHBondContact O-N 2.87Å; H1162-C1166 PolarHBondContact O-SG 2.85Å; H1162-C1166 VanDerWaalsContact O-SG 3.36Å; F1163-C1166 PolarHBondContact O-N 3.42Å; R1164-C1166 VanDerWaalsContact C-N 3.27Å; R1164-C1166 PolarHBondContact O-N 3.24Å |
| 1167 | L | 86.4 | Confident | 73.9 | Confident | 140 Ų | 140 | 124.6 Ų | 124.6 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -91 | -17.9 | 177.8 | -69.7 | 170.8 | 0 | 0 | 0 | 113.4 | F1163 R1164 L1169 | F1163-L1167 WeakPolarHBondContact O-CB 3.27Å; F1163-L1167 VanDerWaalsContact O-CG 3.27Å; F1163-L1167 WeakPolarHBondContact O-CG 3.07Å; F1163-L1167 PolarHBondContact O-N 3.37Å; R1164-L1167 CarbonylContact O-C 3.59Å; R1164-L1167 PolarHBondContact O-N 2.86Å; R1164-L1167 VanDerWaalsContact O-N 3.16Å; L1167-L1169 VanDerWaalsContact C-N 3.27Å; L1167-L1169 PolarHBondContact O-N 3.44Å |
| 1168 | T | 71.9 | Confident | 71.2 | Confident | 98 Ų | 98 | 125.9 Ų | 125.9 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -68.4 | 88 | 166.4 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | R1164 K1165 | R1164-T1168 WeakPolarHBondContact O-CG2 3.48Å; R1164-T1168 PolarHBondContact O-N 3.02Å; R1164-T1168 PolarHBondContact O-OG1 3.24Å; K1165-T1168 WeakPolarHBondContact CA-OG1 3.49Å; K1165-T1168 PolarHBondContact O-OG1 3.31Å |
| 1169 | L | 56.4 | Low | 69 | Low | 157 Ų | 157 | 131.8 Ų | 131.8 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | -44.9 | 131.5 | 162.8 | -77.2 | 162.9 | 0 | 0 | 0 | 109.1 | L1167 Q1171 | L1167-L1169 VanDerWaalsContact C-N 3.27Å; L1167-L1169 PolarHBondContact O-N 3.44Å; L1169-Q1171 PolarHBondContact O-N 3.48Å | ||
| 1170 | P | 58.2 | Low | 66.4 | Low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -58.1 | 126.6 | 176.3 | 25.1 | -33.3 | 0 | 0 | 0 | 108.3 | T1172 | P1170-T1172 PolarHBondContact O-N 3.41Š| ||
| 1171 | Q | 48.9 | Very low | 64.2 | Low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -60.3 | 103.1 | -172.3 | -171.3 | 171.5 | 5.5 | 0 | 0 | 109.4 | L1169 H1173 | L1169-Q1171 PolarHBondContact O-N 3.48Å; Q1171-H1173 PolarHBondContact O-N 3.45Å; Q1171-H1173 PolarHBondContact O-ND1 3.43Å | ||
| 1172 | T | 47 | Very low | 61.5 | Low | 96 Ų | 96 | 144.4 Ų | 144.4 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -67.9 | 106.3 | -177.6 | 34.2 | 0 | 0 | 0 | 0 | 107.8 | P1170 W1174 | P1170-T1172 PolarHBondContact O-N 3.41Å; T1172-W1174 PolarHBondContact O-N 3.48Å; T1172-W1174 PolarHBondContact OG1-NE1 3.21Å; T1172-W1174 VanDerWaalsContact OG1-NE1 3.15Å | ||
| 1173 | H | 45.7 | Very low | 59 | Low | 175 Ų | 175 | 149.7 Ų | 149.7 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -75 | 68.4 | 177 | 40.3 | -88.6 | 0 | 0 | 0 | 108.8 | Q1171 P1175 | Q1171-H1173 PolarHBondContact O-N 3.45Å; Q1171-H1173 PolarHBondContact O-ND1 3.43Å; H1173-P1175 VanDerWaalsContact O-CD 3.28Å; H1173-P1175 WeakPolarHBondContact O-CD 3.27Å; H1173-P1175 VanDerWaalsContact O-N 3.09Å | ||
| 1174 | W | 44.3 | Very low | 56.7 | Low | 212 Ų | 212 | 149.3 Ų | 149.3 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | -53.2 | 114.3 | 172 | -71.3 | 94.3 | 0 | 0 | 0 | 108.7 | T1172 R1176 | T1172-W1174 PolarHBondContact O-N 3.48Å; T1172-W1174 PolarHBondContact OG1-NE1 3.21Å; T1172-W1174 VanDerWaalsContact OG1-NE1 3.15Å; W1174-R1176 PolarHBondContact O-N 3.17Å; W1174-R1176 VanDerWaalsContact O-N 3.07Å | ||
| 1175 | P | 47.8 | Very low | 55.2 | Low | 116 Ų | 116 | 147.5 Ų | 147.5 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 115.5 | -178.9 | 26.1 | -32.6 | 0 | 0 | 0 | 108.3 | H1173 G1177 | H1173-P1175 VanDerWaalsContact O-CD 3.28Å; H1173-P1175 WeakPolarHBondContact O-CD 3.27Å; H1173-P1175 VanDerWaalsContact O-N 3.09Å; P1175-G1177 VanDerWaalsContact C-N 3.3Å; P1175-G1177 PolarHBondContact O-N 2.9Å | ||
| 1176 | R | 50.6 | Low | 53.2 | Low | 256 Ų | 256 | 156.4 Ų | 156.4 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -72.7 | 80.9 | -175.1 | -172.1 | -168 | -63.9 | -121.4 | 2.1 | 110.5 | W1174 | W1174-R1176 PolarHBondContact O-N 3.17Å; W1174-R1176 VanDerWaalsContact O-N 3.07Å |
| 1177 | G | 51.4 | Low | 51.4 | Low | 73 Ų | 73 | 160.1 Ų | 160.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 158.4 | 87.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1175 | P1175-G1177 VanDerWaalsContact C-N 3.3Å; P1175-G1177 PolarHBondContact O-N 2.9Å | ||
| 1178 | S | 40.9 | Very low | 49.6 | Very low | 113 Ų | 113 | 161.1 Ų | 161.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -154.6 | 147.5 | 141.8 | -167 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1179 | H | 50.8 | Low | 48.3 | Very low | 182 Ų | 182 | 164.6 Ų | 164.6 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -85.9 | 129 | -172.3 | -50.5 | -88.6 | 0 | 0 | 0 | 111 | ||||
| 1180 | Y | 41.2 | Very low | 47.8 | Very low | 234 Ų | 234 | 165.1 Ų | 165.1 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | trans | -131 | 129.5 | 155.8 | -106.9 | -87.4 | 0 | 0 | 0 | 111 | ||||
| 1181 | K | 49.5 | Very low | 47.2 | Very low | 202 Ų | 202 | 168.7 Ų | 168.7 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -109.5 | 106.2 | -175 | -173.3 | 179.7 | -175.9 | 179.9 | 0 | 107.6 | ||||
| 1182 | G | 39 | Very low | 47.1 | Very low | 70 Ų | 70 | 167.5 Ų | 167.5 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -141.2 | 137.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1183 | Y | 41.5 | Very low | 47.1 | Very low | 222 Ų | 222 | 172.6 Ų | 172.6 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 152.4 | 178.4 | -77 | -96.1 | 0 | 0 | 0 | 111.5 | ||
| 1184 | P | 46.5 | Very low | 47.2 | Very low | 114 Ų | 114 | 172.4 Ų | 172.4 | 74% | 0.74 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 138.4 | 171.2 | 30.6 | -34.2 | 0 | 0 | 0 | 111 | ||
| 1185 | P | 61.3 | Low | 47.4 | Very low | 125 Ų | 125 | 169.1 Ų | 169.1 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -71 | 168.4 | 159.2 | 33 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 1186 | R | 48.8 | Very low | 47.4 | Very low | 322 Ų | 322 | 173.9 Ų | 173.9 | 100% | 1.215 | 86% | 0.864 | S | S | * | * | trans | -78.6 | 0 | 173.3 | -70.3 | -179.7 | 172.2 | -173.6 | -3.4 | 112 |
Retrieved 1,186 of 1,186 residues in 393 ms
(Link to these results)