| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 41 | Very low | 252 Ų | 252 | 160.7 Ų | 160.7 | 100% | 1.241 | 85% | 0.851 | S | S | * | * | 0 | 129.1 | 0 | -70.4 | -153.7 | 164 | 0 | 0 | 108.9 | |||||
| 2 | G | 49.9 | Very low | 41.4 | Very low | 76 Ų | 76 | 155.8 Ų | 155.8 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | -94.8 | 153.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | R | 45.8 | Very low | 41.3 | Very low | 255 Ų | 255 | 159.2 Ų | 159.2 | 96% | 0.962 | 83% | 0.833 | S | S | * | * | trans | -140.1 | 138.9 | 163.7 | -70.1 | -168.4 | 175.4 | -91.6 | -2.8 | 110.8 | ||||
| 4 | R | 40.2 | Very low | 42 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -82 | 136.9 | 177.7 | -74.9 | 170 | 167.5 | -132.9 | 1.6 | 109.3 | ||||
| 5 | S | 39.7 | Very low | 42.2 | Very low | 104 Ų | 104 | 161.6 Ų | 161.6 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | 91.9 | 142 | 82 | -56.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 6 | S | 41 | Very low | 42.6 | Very low | 125 Ų | 125 | 167.3 Ų | 167.3 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | 83.6 | 106.6 | 159.5 | -54.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 7 | D | 36.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 169.8 Ų | 169.8 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | trans | -160.5 | 109.9 | 140.1 | -154.1 | 34.3 | 0 | 0 | 0 | 106.1 | ||||
| 8 | S | 37.8 | Very low | 42.8 | Very low | 96 Ų | 96 | 172 Ų | 172 | 67% | 0.671 | 84% | 0.844 | S | S | * | * | 74.6 | 100.9 | 83.2 | -153.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 9 | E | 41.5 | Very low | 42.8 | Very low | 193 Ų | 193 | 173.9 Ų | 173.9 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | 39.8 | 160.3 | 150.9 | -52.7 | -143.4 | 106.3 | 0 | 0 | 125 | ||||
| 10 | D | 39.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 172.5 Ų | 172.5 | 68% | 0.684 | 84% | 0.839 | S | S | * | * | trans | 70.5 | 93.9 | 172.9 | -144 | -90.7 | 0 | 0 | 0 | 120.3 | ||||
| 11 | D | 36.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 175.5 Ų | 175.5 | 78% | 0.781 | 84% | 0.841 | S | S | * | * | trans | -131.1 | 72.5 | 147 | -175.7 | 16.6 | 0 | 0 | 0 | 111.1 | R13 | D11-R13 PolarHBondContact O-N 2.8Š| ||
| 12 | S | 45.2 | Very low | 42.6 | Very low | 102 Ų | 102 | 175.1 Ų | 175.1 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | trans | -94.1 | 40.6 | 176 | -69.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | R | 41 | Very low | 42 | Very low | 200 Ų | 200 | 182.9 Ų | 182.9 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -129.4 | 77 | -175.5 | -67.4 | -170.1 | 177.5 | 172.6 | 2.2 | 117.4 | D11 | D11-R13 PolarHBondContact O-N 2.8Š| ||
| 14 | S | 51 | Low | 41.6 | Very low | 116 Ų | 116 | 175.8 Ų | 175.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | 44.1 | 83.8 | 130.6 | 61.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 15 | R | 44 | Very low | 41.1 | Very low | 238 Ų | 238 | 170.4 Ų | 170.4 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -124.9 | 89.7 | 164.8 | -72.3 | -172.3 | 170.4 | 168.6 | -1.5 | 115.5 | K17 | R15-K17 PolarHBondContact O-N 3.14Š| ||
| 16 | R | 48.4 | Very low | 40.8 | Very low | 252 Ų | 252 | 171.2 Ų | 171.2 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | trans | -0.6 | 95.6 | 150.1 | -161.9 | 178.5 | -165.1 | 177.9 | 4.7 | 115.5 | R18 | R16-R18 PolarHBondContact O-N 3.1Å; R16-R18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | K | 45.4 | Very low | 40.4 | Very low | 211 Ų | 211 | 171 Ų | 171 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -69.6 | 105.6 | 179.9 | -78.1 | -169.4 | 176.2 | 179.9 | 0 | 113.3 | R15 | R15-K17 PolarHBondContact O-N 3.14Š| ||
| 18 | R | 43.3 | Very low | 40.1 | Very low | 209 Ų | 209 | 169.5 Ų | 169.5 | 79% | 0.789 | 83% | 0.825 | S | S | * | * | trans | -60.3 | 124.5 | 164.3 | 177.6 | 178.4 | 175.9 | -176.5 | -0.1 | 110 | R16 Q20 | R16-R18 PolarHBondContact O-N 3.1Å; R16-R18 VanDerWaalsContact O-N 3.08Å; R18-Q20 PolarHBondContact O-N 2.95Å; R18-Q20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | K | 43.4 | Very low | 39.8 | Very low | 208 Ų | 208 | 170.6 Ų | 170.6 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -65.6 | 108.1 | 175 | -85.3 | -175.8 | 174.7 | 178 | 0 | 110.6 | ||||
| 20 | Q | 42.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 166.9 Ų | 166.9 | 68% | 0.682 | 83% | 0.829 | S | S | * | * | trans | -87.1 | 130 | 165.6 | -75.1 | -68.8 | 2 | 0 | 0 | 110.1 | R18 | R18-Q20 PolarHBondContact O-N 2.95Å; R18-Q20 VanDerWaalsContact O-N 3.1Å | ||
| 21 | R | 43.8 | Very low | 39.1 | Very low | 235 Ų | 235 | 165.8 Ų | 165.8 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -97 | 111.4 | 170.2 | -69.6 | 170.4 | 70.9 | 175.5 | 2.9 | 108.3 | ||||
| 22 | R | 38.1 | Very low | 39.1 | Very low | 245 Ų | 245 | 164.5 Ų | 164.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -143.5 | 155.5 | 160.1 | -78.2 | -155 | 164.8 | -156.7 | -5.9 | 112.6 | ||||
| 23 | R | 36.3 | Very low | 38.5 | Very low | 239 Ų | 239 | 165.2 Ų | 165.2 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -121.7 | 170.1 | 175.5 | -28.4 | 163.6 | 164.7 | 144.3 | -14.3 | 108.2 | ||||
| 24 | S | 37.1 | Very low | 38.5 | Very low | 105 Ų | 105 | 159.4 Ų | 159.4 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | cis | -147.4 | 142.6 | -3.7 | -53.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 25 | S | 30 | Very low | 37.9 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -165.5 | 141.8 | 147.6 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 26 | S | 33.7 | Very low | 37.6 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | trans | -66.6 | 141.3 | -175.2 | 44.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 27 | S | 31.8 | Very low | 37 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -157.6 | 131.8 | 139.8 | 60.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 28 | S | 32.3 | Very low | 36.7 | Very low | 124 Ų | 124 | 155 Ų | 155 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -94.2 | 124.6 | -169.2 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 29 | S | 30.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -154.8 | 102.4 | 161.2 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 30 | S | 31.9 | Very low | 36 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -82.2 | 111.4 | 174 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 31 | S | 35.6 | Very low | 35.9 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | 92.2 | 91.2 | 101.1 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 32 | S | 35.1 | Very low | 35.7 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -69.6 | 143 | 164.8 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 33 | S | 34.1 | Very low | 35.8 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -155.7 | 82.4 | 171.5 | -79.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 34 | G | 40.1 | Very low | 35.6 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -76.2 | 121.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 35 | S | 38.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -104.9 | 117.5 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | R | 37.6 | Very low | 36 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -77.9 | 129.3 | 175.6 | -68.9 | 175.9 | 175 | 167.5 | -2.5 | 110.3 | R38 | R36-R38 PolarHBondContact O-N 3.34Š| ||
| 37 | V | 36.7 | Very low | 36.1 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | -60.8 | 124.7 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 38 | R | 37.9 | Very low | 36.3 | Very low | 220 Ų | 220 | 155.7 Ų | 155.7 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -137.6 | 114.4 | 162 | -63 | -164.8 | 88.8 | -140.8 | 7.3 | 112 | R36 | R36-R38 PolarHBondContact O-N 3.34Š| ||
| 39 | S | 32.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 156 Ų | 156 | 66% | 0.664 | 84% | 0.839 | S | S | * | * | trans | 33.3 | 118.4 | 147.2 | 61.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 40 | S | 39.3 | Very low | 36.5 | Very low | 126 Ų | 126 | 159 Ų | 159 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | trans | -50.1 | 134.4 | 165.1 | 40.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 41 | R | 41.5 | Very low | 36.7 | Very low | 247 Ų | 247 | 159 Ų | 159 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -145.6 | 126.6 | 157.7 | -156.1 | 165.6 | -174.5 | 134.1 | -1.7 | 110.1 | ||||
| 42 | S | 39.4 | Very low | 36.7 | Very low | 112 Ų | 112 | 164.7 Ų | 164.7 | 78% | 0.783 | 84% | 0.837 | S | S | * | * | trans | -71.7 | 138.4 | -167.1 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 43 | R | 39.4 | Very low | 36.7 | Very low | 250 Ų | 250 | 164.7 Ų | 164.7 | 94% | 0.943 | 84% | 0.837 | S | S | * | * | trans | -143.3 | 100.7 | 154.2 | -70.9 | -161.5 | 175.5 | -174.7 | -0.9 | 112.7 | ||||
| 44 | R | 33.2 | Very low | 37.1 | Very low | 243 Ų | 243 | 168.6 Ų | 168.6 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | trans | 24.8 | 122 | 136.4 | -155 | 169.1 | -169.9 | 167.5 | 1.2 | 118 | ||||
| 45 | S | 36.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 170.4 Ų | 170.4 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -52.7 | 132.1 | 177.7 | 40.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 46 | T | 37.9 | Very low | 37 | Very low | 146 Ų | 146 | 176 Ų | 176 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | trans | -100.2 | 106.5 | 160.3 | -35.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 47 | R | 37.3 | Very low | 37.2 | Very low | 236 Ų | 236 | 175 Ų | 175 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -129.2 | 153.7 | 167.9 | -80.4 | -170.5 | 176.5 | -172 | -0.8 | 109 | ||||
| 48 | R | 35.1 | Very low | 37.5 | Very low | 201 Ų | 201 | 179.8 Ų | 179.8 | 76% | 0.758 | 83% | 0.833 | S | S | * | * | trans | 96 | 75.5 | 165 | -151.6 | 174.4 | -140 | 167.9 | 4.4 | 116.4 | R50 | R48-R50 PolarHBondContact O-N 2.89Š| ||
| 49 | S | 35.4 | Very low | 37.4 | Very low | 130 Ų | 130 | 180.2 Ų | 180.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -48.9 | 125.9 | 146.9 | -41.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 50 | R | 32.3 | Very low | 37.7 | Very low | 185 Ų | 185 | 186.2 Ų | 186.2 | 70% | 0.698 | 84% | 0.842 | S | S | * | * | trans | -147.4 | 103.7 | 173 | -158.3 | 170.6 | -174.5 | 91.6 | -6.5 | 109.4 | R48 | R48-R50 PolarHBondContact O-N 2.89Š| ||
| 51 | S | 36.7 | Very low | 37.5 | Very low | 114 Ų | 114 | 192.3 Ų | 192.3 | 80% | 0.797 | 85% | 0.846 | S | S | * | * | trans | -57.6 | 138.2 | -177.7 | -38.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | R | 34.7 | Very low | 37.1 | Very low | 223 Ų | 223 | 185.8 Ų | 185.8 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | trans | -166.9 | 106.4 | 154.5 | -106.7 | 151.6 | -169.8 | -173.4 | 0.6 | 109.9 | K54 | R52-K54 PolarHBondContact O-N 3.47Š| ||
| 53 | S | 35.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 186 Ų | 186 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -62.4 | 127.3 | 163.4 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 54 | K | 41.2 | Very low | 36.3 | Very low | 198 Ų | 198 | 179.1 Ų | 179.1 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -138.5 | 97.8 | 160.3 | -86.5 | -149.8 | 169.8 | -168.6 | 0 | 110.1 | R52 R56 | R52-K54 PolarHBondContact O-N 3.47Å; K54-R56 PolarHBondContact O-N 3.3Å | ||
| 55 | D | 40.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 172.9 Ų | 172.9 | 63% | 0.626 | 82% | 0.824 | S | S | * | * | trans | -31.8 | 122.1 | 157 | -173.1 | -4.6 | 0 | 0 | 0 | 112.9 | R57 | D55-R57 PolarHBondContact OD1-N 2.82Š| ||
| 56 | R | 36.5 | Very low | 35.9 | Very low | 234 Ų | 234 | 173.7 Ų | 173.7 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -139.8 | 70.6 | 151.1 | -76.4 | -161.7 | 171.1 | 173.8 | -2.1 | 110.2 | K54 R58 | K54-R56 PolarHBondContact O-N 3.3Å; R56-R58 PolarHBondContact O-N 2.94Å | ||
| 57 | R | 41.8 | Very low | 35.6 | Very low | 224 Ų | 224 | 171.7 Ų | 171.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -50 | 109.2 | 154.2 | -74.5 | 170.5 | 165.9 | -178 | -2 | 109.6 | D55 | D55-R57 PolarHBondContact OD1-N 2.82Š| ||
| 58 | R | 43.4 | Very low | 35.4 | Very low | 244 Ų | 244 | 169 Ų | 169 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -122 | 116 | 155.1 | -82.5 | -164.9 | 170.7 | -167.4 | -3.1 | 109.9 | R56 | R56-R58 PolarHBondContact O-N 2.94Š| ||
| 59 | R | 36.1 | Very low | 35.1 | Very low | 230 Ų | 230 | 163.7 Ų | 163.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -68.7 | 140.6 | -176.2 | -77.9 | 170 | 161.1 | 170.2 | -8.2 | 111.5 | ||||
| 60 | R | 39.1 | Very low | 35 | Very low | 220 Ų | 220 | 164.8 Ų | 164.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | 51.7 | 132.3 | 139.9 | -60.3 | -176.1 | 179.9 | -140 | 0.7 | 119.3 | ||||
| 61 | R | 34.1 | Very low | 35.1 | Very low | 254 Ų | 254 | 160.1 Ų | 160.1 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | -161.7 | 154.5 | 102.6 | -99.8 | 164 | -172.1 | -162.4 | 1.1 | 110.7 | |||||
| 62 | S | 33 | Very low | 35.1 | Very low | 111 Ų | 111 | 166.1 Ų | 166.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -105.9 | 146.9 | -165.7 | -41.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 63 | S | 33 | Very low | 35 | Very low | 116 Ų | 116 | 166.4 Ų | 166.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 173.1 | 154.2 | 141.6 | 47.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 64 | S | 29.1 | Very low | 35.2 | Very low | 105 Ų | 105 | 171.7 Ų | 171.7 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | cis | -175.1 | 139.4 | -24 | -85.8 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 65 | S | 29.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 171.3 Ų | 171.3 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 1.7 | 129.2 | 157.4 | 54.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 66 | S | 31.4 | Very low | 34.9 | Very low | 127 Ų | 127 | 170.9 Ų | 170.9 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | -168.9 | 149.2 | 111.7 | 41.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 67 | S | 33.4 | Very low | 35 | Very low | 103 Ų | 103 | 170 Ų | 170 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -122.2 | 173.4 | 171 | 56.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | Q | 33 | Very low | 34.9 | Very low | 181 Ų | 181 | 165 Ų | 165 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 74.6 | 146 | -178.6 | -53.4 | -177.5 | 3.2 | 0 | 0 | 113.8 | ||||
| 69 | S | 27.8 | Very low | 34.9 | Very low | 89 Ų | 89 | 158 Ų | 158 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | cis | -168.4 | -174.6 | -8.2 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 70 | L | 32.5 | Very low | 35.2 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | 71.9 | 114.8 | 164.5 | -47.5 | -178.8 | 0 | 0 | 0 | 115.7 | ||||
| 71 | S | 34.3 | Very low | 35.5 | Very low | 87 Ų | 87 | 154.7 Ų | 154.7 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | cis | 87.5 | 130 | 44.7 | 91.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 72 | R | 37.1 | Very low | 36.1 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 111.5 | 163.4 | -50.5 | 176.1 | -173.2 | -151.5 | 0.7 | 117.5 | ||||
| 73 | R | 33.7 | Very low | 36.8 | Very low | 228 Ų | 228 | 154.5 Ų | 154.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | -166 | 138.1 | 104.2 | -148.7 | 167.5 | -179.5 | -169.6 | 1.8 | 112.2 | |||||
| 74 | R | 39.8 | Very low | 37.1 | Very low | 231 Ų | 231 | 152.2 Ų | 152.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 143.5 | 166.5 | -70.7 | -177.8 | 166.5 | -140.6 | -2.4 | 110.1 | ||||
| 75 | R | 32.1 | Very low | 37.7 | Very low | 190 Ų | 190 | 158.4 Ų | 158.4 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -152.8 | 101.4 | 150.4 | -143.1 | 167.8 | -165.1 | 153.3 | 4.2 | 112.2 | ||||
| 76 | S | 41.3 | Very low | 38 | Very low | 108 Ų | 108 | 157.2 Ų | 157.2 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -70 | 143.1 | 161.7 | -37.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 77 | R | 39.5 | Very low | 38.3 | Very low | 215 Ų | 215 | 158.4 Ų | 158.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -159.8 | 108.7 | 156.6 | -112.9 | 168 | -172.1 | 178.7 | -1.9 | 110.3 | ||||
| 78 | S | 40 | Very low | 38.5 | Very low | 119 Ų | 119 | 164.9 Ų | 164.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -74 | 148.8 | 165.1 | -41 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | A | 43.7 | Very low | 38.8 | Very low | 98 Ų | 98 | 160.5 Ų | 160.5 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -160 | 118.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 80 | D | 40.9 | Very low | 39.3 | Very low | 144 Ų | 144 | 165 Ų | 165 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 154.9 | 169 | -52.8 | -102.7 | 0 | 0 | 0 | 112.1 | ||||
| 81 | R | 45.6 | Very low | 39.3 | Very low | 236 Ų | 236 | 168.9 Ų | 168.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | 177.4 | 131 | 112.1 | -94.6 | 156.8 | -175.6 | -167.7 | -0.8 | 113.1 | |||||
| 82 | D | 46.4 | Very low | 39.5 | Very low | 159 Ų | 159 | 169.5 Ų | 169.5 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -54.4 | 137.5 | 159.6 | -96.2 | -68.4 | 0 | 0 | 0 | 112.9 | ||||
| 83 | K | 49 | Very low | 39.4 | Very low | 203 Ų | 203 | 168.9 Ų | 168.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -168.5 | 107.2 | 155.2 | -99.4 | 148.5 | -177.4 | -179.9 | 0 | 104.1 | ||||
| 84 | G | 39.5 | Very low | 39.3 | Very low | 68 Ų | 68 | 163.2 Ų | 163.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 111.4 | 115.4 | 35.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 85 | R | 41.1 | Very low | 39.3 | Very low | 235 Ų | 235 | 163.8 Ų | 163.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 37.8 | 129.7 | 137.9 | -99.4 | 177.2 | 170.2 | -146.2 | 0.1 | 117.3 | ||||
| 86 | S | 35.1 | Very low | 39.4 | Very low | 87 Ų | 87 | 160.3 Ų | 160.3 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | cis | 178.8 | 169.5 | 31.9 | 69.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 87 | H | 38.7 | Very low | 39.1 | Very low | 153 Ų | 153 | 164.8 Ų | 164.8 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | 48.8 | 119.4 | 146.6 | -52.5 | -45.4 | 0 | 0 | 0 | 123.5 | ||||
| 88 | R | 37.7 | Very low | 38.8 | Very low | 239 Ų | 239 | 165.5 Ų | 165.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -177.8 | 96.8 | 118.8 | -100.7 | 173.9 | 169.7 | 158.5 | -1.4 | 109.6 | |||||
| 89 | S | 38.2 | Very low | 38.4 | Very low | 89 Ų | 89 | 165.1 Ų | 165.1 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | 86.2 | 105.6 | 75.7 | 70.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 90 | H | 39.2 | Very low | 38 | Very low | 182 Ų | 182 | 169.8 Ų | 169.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 34.8 | 122.5 | 142.1 | -50.5 | -77.6 | 0 | 0 | 0 | 121.2 | ||||
| 91 | R | 31.6 | Very low | 37.6 | Very low | 235 Ų | 235 | 167.5 Ų | 167.5 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -145.2 | 85.9 | 140.6 | -160.3 | 166.5 | -173.3 | 153.8 | 1.1 | 112.4 | ||||
| 92 | S | 39.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 167.3 Ų | 167.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -83.2 | 133.6 | 164.3 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 93 | R | 34.3 | Very low | 37.1 | Very low | 227 Ų | 227 | 166.6 Ų | 166.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | 159.1 | 134.6 | 166 | -91.1 | 149.6 | -174.8 | 167.8 | 1.6 | 107.1 | ||||
| 94 | S | 32.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 166.1 Ų | 166.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | cis | -153.6 | 159.3 | -10.1 | -76.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 95 | R | 40 | Very low | 36.1 | Very low | 243 Ų | 243 | 172.9 Ų | 172.9 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 130.7 | 155.7 | -66.2 | 171 | 173.7 | 162.7 | -4 | 107.3 | ||||
| 96 | D | 33.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 165.7 Ų | 165.7 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | -178.3 | 155.4 | 103.8 | -140.9 | -18.1 | 0 | 0 | 0 | 113.7 | |||||
| 97 | R | 34.2 | Very low | 35.7 | Very low | 202 Ų | 202 | 172 Ų | 172 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 143.7 | 150.3 | -86 | 162.5 | -123.5 | -143 | 4.6 | 124.6 | ||||
| 98 | R | 33.7 | Very low | 35.4 | Very low | 229 Ų | 229 | 169.1 Ų | 169.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 83.1 | 98.4 | 150.4 | -77.1 | 177.4 | 174 | -164.4 | -2.3 | 120.8 | ||||
| 99 | S | 33 | Very low | 35.2 | Very low | 112 Ų | 112 | 169.1 Ų | 169.1 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | 49.6 | 89.5 | 117.9 | -49.3 | 0 | 0 | 0 | 0 | 118.2 | S101 | S99-S101 PolarHBondContact O-N 2.97Š| |||
| 100 | H | 34.1 | Very low | 34.9 | Very low | 195 Ų | 195 | 171 Ų | 171 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 104.1 | 165.3 | -160.5 | 63.9 | 0 | 0 | 0 | 110.7 | ||||
| 101 | S | 33.7 | Very low | 34.6 | Very low | 97 Ų | 97 | 168.4 Ų | 168.4 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -77.7 | 140.2 | -174.6 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | S99 | S99-S101 PolarHBondContact O-N 2.97Š| ||
| 102 | R | 42.8 | Very low | 34.7 | Very low | 231 Ų | 231 | 162.7 Ų | 162.7 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -40 | 141.3 | 157.1 | -54.4 | 164.5 | 176.3 | 170.9 | -3.4 | 111.6 | ||||
| 103 | H | 36.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 169.6 Ų | 169.6 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | -166.8 | 127.6 | 137.3 | -105.7 | 54.1 | 0 | 0 | 0 | 109.3 | ||||
| 104 | R | 33.3 | Very low | 34.3 | Very low | 193 Ų | 193 | 162.2 Ų | 162.2 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | 66.2 | 141.5 | 100.5 | -67.3 | -161.4 | -158.1 | -163.2 | 2.1 | 114 | |||||
| 105 | R | 35.1 | Very low | 34.4 | Very low | 210 Ų | 210 | 165 Ų | 165 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -179.4 | 165.9 | -4.5 | 177.9 | -177.3 | -164.6 | -177.6 | 6.3 | 107.2 | ||||
| 106 | S | 34.4 | Very low | 34.1 | Very low | 85 Ų | 85 | 163.9 Ų | 163.9 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | 87.2 | 152.7 | 165.7 | -40.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 107 | R | 32.5 | Very low | 34.1 | Very low | 220 Ų | 220 | 164.7 Ų | 164.7 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | cis | -162.9 | 153 | -9.8 | -118 | 167.9 | -179.7 | 131.6 | -10.8 | 110.2 | ||||
| 108 | S | 33.2 | Very low | 34.2 | Very low | 92 Ų | 92 | 160.4 Ų | 160.4 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | 57.1 | 118.7 | 143.7 | -55 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 109 | R | 33.9 | Very low | 34.3 | Very low | 238 Ų | 238 | 157 Ų | 157 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | 47.2 | 113.2 | 126 | -62.2 | 175.9 | 173.5 | 158.8 | -2.7 | 119.8 | |||||
| 110 | S | 31.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 155 Ų | 155 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | -177.3 | 112 | 122.1 | -80.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 111 | S | 33.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -161.3 | 143.1 | 150.7 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 112 | S | 32.9 | Very low | 35 | Very low | 114 Ų | 114 | 161.8 Ų | 161.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -97 | 149.2 | -152.4 | -61 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 113 | R | 34.9 | Very low | 34.6 | Very low | 247 Ų | 247 | 162.3 Ų | 162.3 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -5.3 | 134.7 | 151.1 | -65.5 | 167.9 | 168.6 | 157.9 | -6.3 | 117.8 | ||||
| 114 | G | 30.5 | Very low | 34.4 | Very low | 72 Ų | 72 | 160.7 Ų | 160.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 162.9 | 61.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 115 | H | 33.2 | Very low | 34.9 | Very low | 166 Ų | 166 | 162.9 Ų | 162.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 71.9 | 117.3 | 102.2 | -91 | -56.6 | 0 | 0 | 0 | 117.8 | |||||
| 116 | R | 34.5 | Very low | 35.1 | Very low | 221 Ų | 221 | 158.8 Ų | 158.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 92.7 | 146.9 | 143.1 | -62.5 | 170.6 | -175.1 | -138.5 | 0.7 | 120.4 | ||||
| 117 | T | 34.6 | Very low | 35.5 | Very low | 133 Ų | 133 | 161.6 Ų | 161.6 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | 85.8 | 90.2 | 154.4 | -13.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 118 | S | 36.4 | Very low | 35.7 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -42 | 145.3 | 142.9 | -21.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 119 | H | 34.2 | Very low | 36.3 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | -167.8 | 149.9 | 122.5 | -159.4 | 66.2 | 0 | 0 | 0 | 113 | |||||
| 120 | S | 36.1 | Very low | 36.7 | Very low | 72 Ų | 72 | 156.9 Ų | 156.9 | 50% | 0.503 | 80% | 0.801 | S | S | . | * | trans | -52.1 | 153.2 | -176.8 | 68.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 121 | R | 36.6 | Very low | 37.3 | Very low | 225 Ų | 225 | 160 Ų | 160 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | -178 | 149 | 103.5 | -95.1 | 142 | -159.7 | -144.5 | 2.4 | 114.2 | |||||
| 122 | K | 43.2 | Very low | 37.9 | Very low | 208 Ų | 208 | 158.7 Ų | 158.7 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -70 | 139.4 | 178.6 | -58 | 168.7 | 177.9 | 175.4 | 0 | 111 | ||||
| 123 | R | 33.8 | Very low | 38.7 | Very low | 243 Ų | 243 | 161.8 Ų | 161.8 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -157.7 | 119.3 | 143 | -134.5 | 170.3 | -178.7 | -178.7 | -1 | 113.8 | ||||
| 124 | S | 32.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 47.5 | 115.4 | 153.9 | -50.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 125 | R | 44.1 | Very low | 40.4 | Very low | 239 Ų | 239 | 158.8 Ų | 158.8 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -61.7 | 166.6 | 147.6 | -76.9 | 172.3 | 155.7 | 104.4 | -7.3 | 110.5 | ||||
| 126 | S | 40.6 | Very low | 41.3 | Very low | 124 Ų | 124 | 159.9 Ų | 159.9 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | 90.3 | 134.9 | 168.7 | -49.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 127 | N | 41.5 | Very low | 42.1 | Very low | 144 Ų | 144 | 156.1 Ų | 156.1 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | 100.7 | 35.4 | 169.9 | -150.8 | 15.9 | 0 | 0 | 0 | 120.7 | ||||
| 128 | S | 38 | Very low | 43 | Very low | 99 Ų | 99 | 151.4 Ų | 151.4 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | -114.1 | 7.3 | 172.2 | 73.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 129 | R | 44.4 | Very low | 43.9 | Very low | 218 Ų | 218 | 155 Ų | 155 | 82% | 0.823 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -99.8 | -13.6 | -173.1 | -78.7 | -178.7 | 172.2 | 163.6 | -3.3 | 116.3 | ||
| 130 | E | 42.1 | Very low | 44.9 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92.2 | -34.8 | 179.1 | -61.4 | -163.4 | 135.8 | 0 | 0 | 113.2 | D132 R133 | E130-D132 PolarHBondContact O-N 2.77Å; E130-D132 VanDerWaalsContact O-N 3.15Å; E130-R133 PolarHBondContact O-N 3.07Å; E130-R133 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 45.3 | Very low | 46 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.8 | -13.3 | -173.5 | -141.5 | 171.8 | -161.1 | -175.2 | 5.7 | 115.2 | S134 | R131-S134 PolarHBondContact O-OG 3.22Å |
| 132 | D | 45.7 | Very low | 47.1 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 54% | 0.535 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -88.3 | -18.4 | 174.3 | -88.1 | -27 | 0 | 0 | 0 | 113.9 | E130 R136 | E130-D132 PolarHBondContact O-N 2.77Å; E130-D132 VanDerWaalsContact O-N 3.15Å; D132-R136 PolarHBondContact O-N 2.81Å |
| 133 | R | 49.7 | Very low | 48.1 | Very low | 179 Ų | 179 | 147 Ų | 147 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.9 | -42.7 | 178.2 | -70.3 | -175.7 | 175.2 | 133 | -6.2 | 111.8 | E130 R136 K137 | E130-R133 PolarHBondContact O-N 3.07Å; E130-R133 VanDerWaalsContact O-N 3.13Å; R133-R136 PolarHBondContact O-N 3.38Å; R133-K137 PolarHBondContact O-N 3.35Å |
| 134 | S | 50.2 | Low | 49.3 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.3 | -39.9 | 178 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | R131 R136 K137 G138 | R131-S134 PolarHBondContact O-OG 3.22Å; S134-R136 PolarHBondContact O-N 3.1Å; S134-K137 PolarHBondContact O-N 3.08Å; S134-G138 PolarHBondContact O-N 2.97Å |
| 135 | R | 51.4 | Low | 50.8 | Low | 176 Ų | 176 | 141.7 Ų | 141.7 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.6 | -30.3 | 177.1 | -72.7 | 178.2 | 169.2 | 174.4 | -3.8 | 113.9 | R139 | R135-R139 WeakPolarHBondContact O-CB 3.37Å |
| 136 | R | 52.5 | Low | 51.5 | Low | 189 Ų | 189 | 135.9 Ų | 135.9 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.3 | -44.7 | 173 | -75.7 | -173.2 | 176.7 | -155.1 | 0.5 | 112.3 | D132 R133 S134 G138 R139 D140 | D132-R136 PolarHBondContact O-N 2.81Å; R133-R136 PolarHBondContact O-N 3.38Å; S134-R136 PolarHBondContact O-N 3.1Å; R136-G138 VanDerWaalsContact C-N 3.33Å; R136-G138 PolarHBondContact O-N 3Å; R136-R139 PolarHBondContact O-N 3.14Å; R136-R139 VanDerWaalsContact O-N 3.15Å; R136-D140 PolarHBondContact O-N 3.25Å |
| 137 | K | 50.3 | Low | 52.6 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.6 | -36.4 | -176 | -163.9 | 72.4 | 172.2 | -176.9 | 0 | 113.5 | R133 S134 R141 | R133-K137 PolarHBondContact O-N 3.35Å; S134-K137 PolarHBondContact O-N 3.08Å; K137-R141 PolarHBondContact O-N 3.34Å |
| 138 | G | 53.4 | Low | 53.4 | Low | 34 Ų | 34 | 134.7 Ų | 134.7 | 35% | 0.351 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -49.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S134 R136 D140 R141 D142 | S134-G138 PolarHBondContact O-N 2.97Å; R136-G138 VanDerWaalsContact C-N 3.33Å; R136-G138 PolarHBondContact O-N 3Å; G138-D140 VanDerWaalsContact C-N 3.31Å; G138-D140 PolarHBondContact O-N 3.35Å; G138-R141 WeakPolarHBondContact O-CB 3.39Å; G138-R141 PolarHBondContact O-N 3.25Å; G138-R141 VanDerWaalsContact O-N 3.08Å; G138-D142 PolarHBondContact O-N 3.44Å |
| 139 | R | 55.9 | Low | 54.5 | Low | 189 Ų | 189 | 138 Ų | 138 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.4 | -30.9 | -176.4 | -162.8 | 175.5 | -170.9 | -179.3 | 3.7 | 113.9 | R135 R136 R143 | R135-R139 WeakPolarHBondContact O-CB 3.37Å; R136-R139 PolarHBondContact O-N 3.14Å; R136-R139 VanDerWaalsContact O-N 3.15Å; R139-R143 VanDerWaalsContact O-CB 3.25Å; R139-R143 WeakPolarHBondContact O-CB 3.44Å; R139-R143 PolarHBondContact O-N 3.23Å; R139-R143 VanDerWaalsContact O-N 3.09Å |
| 140 | D | 55.8 | Low | 55.2 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.7 | -39.8 | 172.7 | -78.7 | -37.2 | 0 | 0 | 0 | 112 | R136 G138 R143 E144 | R136-D140 PolarHBondContact O-N 3.25Å; G138-D140 VanDerWaalsContact C-N 3.31Å; G138-D140 PolarHBondContact O-N 3.35Å; D140-R143 CarbonylContact O-C 3.59Å; D140-R143 PolarHBondContact O-N 3.14Å; D140-E144 VanDerWaalsContact O-CB 3.27Å; D140-E144 WeakPolarHBondContact O-CB 3.27Å; D140-E144 PolarHBondContact O-N 3.37Å |
| 141 | R | 59.3 | Low | 56.1 | Low | 160 Ų | 160 | 132.3 Ų | 132.3 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 173.5 | -79.6 | 178.5 | 169.8 | 163.7 | -4.3 | 112.6 | K137 G138 R143 E144 K145 | K137-R141 PolarHBondContact O-N 3.34Å; G138-R141 WeakPolarHBondContact O-CB 3.39Å; G138-R141 PolarHBondContact O-N 3.25Å; G138-R141 VanDerWaalsContact O-N 3.08Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R141-E144 PolarHBondContact O-N 3.16Å; R141-K145 WeakPolarHBondContact O-CG 3.48Å; R141-K145 PolarHBondContact O-N 3.06Å |
| 142 | D | 60 | Low | 56.7 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 175.9 | -67 | -32.6 | 0 | 0 | 0 | 111.1 | G138 E144 K145 E146 | G138-D142 PolarHBondContact O-N 3.44Å; D142-E144 VanDerWaalsContact C-N 3.33Å; D142-K145 PolarHBondContact O-N 3.05Å; D142-E146 WeakPolarHBondContact O-CB 3.46Å; D142-E146 PolarHBondContact O-N 2.87Å |
| 143 | R | 63.6 | Low | 57.3 | Low | 130 Ų | 130 | 132.9 Ų | 132.9 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.1 | -27.9 | 176.4 | -163.3 | 173 | -154.4 | 157.6 | 6.7 | 113.2 | R139 D140 R141 R147 | R139-R143 VanDerWaalsContact O-CB 3.25Å; R139-R143 WeakPolarHBondContact O-CB 3.44Å; R139-R143 PolarHBondContact O-N 3.23Å; R139-R143 VanDerWaalsContact O-N 3.09Å; D140-R143 CarbonylContact O-C 3.59Å; D140-R143 PolarHBondContact O-N 3.14Å; R141-R143 VanDerWaalsContact C-N 3.32Å; R143-R147 WeakPolarHBondContact O-CB 3.46Å; R143-R147 VanDerWaalsContact O-CD 3.31Å; R143-R147 WeakPolarHBondContact O-CD 3.42Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 3.12Å |
| 144 | E | 59.3 | Low | 57.6 | Low | 122 Ų | 122 | 128.7 Ų | 128.7 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72 | -46.5 | 173.7 | -168.1 | 158.1 | -124.1 | 0 | 0 | 110.6 | D140 R141 D142 E146 R147 E148 | D140-E144 VanDerWaalsContact O-CB 3.27Å; D140-E144 WeakPolarHBondContact O-CB 3.27Å; D140-E144 PolarHBondContact O-N 3.37Å; R141-E144 PolarHBondContact O-N 3.16Å; D142-E144 VanDerWaalsContact C-N 3.33Å; E144-E146 VanDerWaalsContact C-N 3.33Å; E144-E146 PolarHBondContact O-N 3.48Å; E144-R147 PolarHBondContact O-N 3.05Å; E144-E148 WeakPolarHBondContact O-CB 3.28Å; E144-E148 PolarHBondContact O-N 3.25Å |
| 145 | K | 63.2 | Low | 58 | Low | 119 Ų | 119 | 133.4 Ų | 133.4 | 52% | 0.517 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -36.1 | 170.6 | -73.2 | -178.9 | 175.9 | -176.7 | 0 | 113.3 | R141 D142 E148 R149 | R141-K145 WeakPolarHBondContact O-CG 3.48Å; R141-K145 PolarHBondContact O-N 3.06Å; D142-K145 PolarHBondContact O-N 3.05Å; K145-E148 PolarHBondContact O-N 2.81Å; K145-R149 WeakPolarHBondContact O-CB 3.07Å; K145-R149 VanDerWaalsContact O-CG 3.29Å; K145-R149 WeakPolarHBondContact O-CG 3.13Å; K145-R149 PolarHBondContact O-N 3.27Å |
| 146 | E | 58.4 | Low | 58.3 | Low | 116 Ų | 116 | 129.8 Ų | 129.8 | 54% | 0.542 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -49.1 | 173.7 | -172.1 | 176.3 | -139.2 | 0 | 0 | 110.7 | D142 E144 E148 R149 D150 | D142-E146 WeakPolarHBondContact O-CB 3.46Å; D142-E146 PolarHBondContact O-N 2.87Å; E144-E146 VanDerWaalsContact C-N 3.33Å; E144-E146 PolarHBondContact O-N 3.48Å; E146-E148 VanDerWaalsContact C-N 3.3Å; E146-E148 PolarHBondContact O-N 2.92Å; E146-R149 PolarHBondContact O-N 3.4Å; E146-D150 WeakPolarHBondContact O-CB 3.39Å; E146-D150 PolarHBondContact O-N 2.89Å |
| 147 | R | 64.6 | Low | 58.6 | Low | 117 Ų | 117 | 127 Ų | 127 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -31.5 | 174.5 | -71.9 | 163.7 | 175.8 | 158.5 | -5.1 | 113.5 | R143 E144 R151 | R143-R147 WeakPolarHBondContact O-CB 3.46Å; R143-R147 VanDerWaalsContact O-CD 3.31Å; R143-R147 WeakPolarHBondContact O-CD 3.42Å; R143-R147 WeakPolarHBondContact O-CG 3.44Å; R143-R147 PolarHBondContact O-N 3.12Å; E144-R147 PolarHBondContact O-N 3.05Å; R147-R151 WeakPolarHBondContact O-CB 3.29Å; R147-R151 WeakPolarHBondContact O-CG 3.49Å; R147-R151 PolarHBondContact O-N 3.46Å |
| 148 | E | 58.3 | Low | 58.8 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.7 | -48.6 | 176.6 | -173.4 | 168.6 | -139.4 | 0 | 0 | 110.6 | E144 K145 E146 D150 R151 E152 | E144-E148 WeakPolarHBondContact O-CB 3.28Å; E144-E148 PolarHBondContact O-N 3.25Å; K145-E148 PolarHBondContact O-N 2.81Å; E146-E148 VanDerWaalsContact C-N 3.3Å; E146-E148 PolarHBondContact O-N 2.92Å; E148-D150 VanDerWaalsContact C-N 3.35Å; E148-D150 PolarHBondContact O-N 2.99Å; E148-R151 PolarHBondContact O-N 3.11Å; E148-E152 WeakPolarHBondContact O-CB 3.48Å; E148-E152 PolarHBondContact O-N 2.89Å |
| 149 | R | 61.9 | Low | 59.1 | Low | 169 Ų | 169 | 130 Ų | 130 | 64% | 0.638 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -39.7 | 173.3 | -72.4 | 169.1 | 177.1 | 167.9 | -1.7 | 112.9 | K145 E146 E152 R153 | K145-R149 WeakPolarHBondContact O-CB 3.07Å; K145-R149 VanDerWaalsContact O-CG 3.29Å; K145-R149 WeakPolarHBondContact O-CG 3.13Å; K145-R149 PolarHBondContact O-N 3.27Å; E146-R149 PolarHBondContact O-N 3.4Å; R149-E152 PolarHBondContact O-N 2.88Å; R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 PolarHBondContact O-N 3.44Å |
| 150 | D | 58.9 | Low | 59 | Low | 86 Ų | 86 | 124.2 Ų | 124.2 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -41.1 | 175.8 | -78.7 | -19.3 | 0 | 0 | 0 | 111.4 | E146 E148 R153 D154 | E146-D150 WeakPolarHBondContact O-CB 3.39Å; E146-D150 PolarHBondContact O-N 2.89Å; E148-D150 VanDerWaalsContact C-N 3.35Å; E148-D150 PolarHBondContact O-N 2.99Å; D150-R153 PolarHBondContact O-N 3.23Å; D150-D154 WeakPolarHBondContact O-CB 3.4Å; D150-D154 PolarHBondContact O-N 3.07Å |
| 151 | R | 61.3 | Low | 58.9 | Low | 148 Ų | 148 | 126.1 Ų | 126.1 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68 | -36.6 | 174.5 | -74.8 | 174.3 | -169.7 | 129.2 | -10.3 | 113.4 | R147 E148 R155 | R147-R151 WeakPolarHBondContact O-CB 3.29Å; R147-R151 WeakPolarHBondContact O-CG 3.49Å; R147-R151 PolarHBondContact O-N 3.46Å; E148-R151 PolarHBondContact O-N 3.11Å; R151-R155 WeakPolarHBondContact O-CB 3.25Å; R151-R155 VanDerWaalsContact O-CG 3.26Å; R151-R155 WeakPolarHBondContact O-CG 3.46Å; R151-R155 PolarHBondContact O-N 3.12Å |
| 152 | E | 56.4 | Low | 58.7 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.3 | -47.1 | 173.5 | -175.4 | 176.2 | -144.9 | 0 | 0 | 110 | E148 R149 D154 R155 D156 | E148-E152 WeakPolarHBondContact O-CB 3.48Å; E148-E152 PolarHBondContact O-N 2.89Å; R149-E152 PolarHBondContact O-N 2.88Å; E152-D154 PolarHBondContact O-N 2.88Å; E152-R155 PolarHBondContact O-N 3.32Å; E152-D156 PolarHBondContact O-N 2.79Å |
| 153 | R | 59 | Low | 58.5 | Low | 186 Ų | 186 | 126.9 Ų | 126.9 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -36.1 | 177.3 | -163 | 177.8 | -141.5 | 170.6 | 8.3 | 113.3 | R149 D150 K157 | R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 PolarHBondContact O-N 3.44Å; D150-R153 PolarHBondContact O-N 3.23Å; R153-K157 VanDerWaalsContact O-CB 3.29Å; R153-K157 WeakPolarHBondContact O-CB 3.24Å; R153-K157 PolarHBondContact O-N 2.88Å |
| 154 | D | 55.8 | Low | 57.8 | Low | 91 Ų | 91 | 128.3 Ų | 128.3 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.5 | -39.2 | 173.9 | -81.7 | -22.6 | 0 | 0 | 0 | 111.7 | D150 E152 D156 K157 D158 | D150-D154 WeakPolarHBondContact O-CB 3.4Å; D150-D154 PolarHBondContact O-N 3.07Å; E152-D154 PolarHBondContact O-N 2.88Å; D154-D156 PolarHBondContact O-N 3.21Å; D154-K157 CarbonylContact O-C 3.58Å; D154-K157 WeakPolarHBondContact O-CB 3.31Å; D154-K157 PolarHBondContact O-N 2.8Å; D154-K157 VanDerWaalsContact O-N 3.13Å; D154-D158 PolarHBondContact O-N 2.85Å |
| 155 | R | 59.7 | Low | 57.3 | Low | 179 Ų | 179 | 132 Ų | 132 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.5 | -41.4 | 172.2 | -79.3 | 171.6 | 173.5 | 170.8 | -2.2 | 112.7 | R151 E152 K157 D158 K159 | R151-R155 WeakPolarHBondContact O-CB 3.25Å; R151-R155 VanDerWaalsContact O-CG 3.26Å; R151-R155 WeakPolarHBondContact O-CG 3.46Å; R151-R155 PolarHBondContact O-N 3.12Å; E152-R155 PolarHBondContact O-N 3.32Å; R155-K157 VanDerWaalsContact C-N 3.32Å; R155-D158 PolarHBondContact O-N 3.04Å; R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 2.9Å |
| 156 | D | 56.7 | Low | 56.7 | Low | 100 Ų | 100 | 132 Ų | 132 | 54% | 0.535 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.5 | -36.3 | 174.1 | -84.2 | -10.7 | 0 | 0 | 0 | 112 | E152 D154 S160 | E152-D156 PolarHBondContact O-N 2.79Å; D154-D156 PolarHBondContact O-N 3.21Å; D156-S160 WeakPolarHBondContact O-CB 3.27Å; D156-S160 PolarHBondContact O-N 3.35Å |
| 157 | K | 59.1 | Low | 56.4 | Low | 130 Ų | 130 | 130 Ų | 130 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.7 | -37.4 | 176.7 | -161.2 | 170.6 | -175.7 | -179.6 | 0 | 112.1 | R153 D154 R155 S160 K161 | R153-K157 VanDerWaalsContact O-CB 3.29Å; R153-K157 WeakPolarHBondContact O-CB 3.24Å; R153-K157 PolarHBondContact O-N 2.88Å; D154-K157 CarbonylContact O-C 3.58Å; D154-K157 WeakPolarHBondContact O-CB 3.31Å; D154-K157 PolarHBondContact O-N 2.8Å; D154-K157 VanDerWaalsContact O-N 3.13Å; R155-K157 VanDerWaalsContact C-N 3.32Å; K157-S160 PolarHBondContact O-N 3.28Å; K157-S160 PolarHBondContact O-OG 3.32Å; K157-K161 PolarHBondContact O-N 3.37Å; K157-K161 VanDerWaalsContact O-N 3.08Å |
| 158 | D | 54.8 | Low | 56.1 | Low | 88 Ų | 88 | 126.7 Ų | 126.7 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.8 | -44.7 | 174.7 | -74.7 | -24.7 | 0 | 0 | 0 | 111.8 | D154 R155 S160 K161 D162 | D154-D158 PolarHBondContact O-N 2.85Å; R155-D158 PolarHBondContact O-N 3.04Å; D158-S160 PolarHBondContact O-N 2.87Å; D158-K161 WeakPolarHBondContact O-CA 3.39Å; D158-K161 VanDerWaalsContact O-CB 3.31Å; D158-K161 WeakPolarHBondContact O-CB 3.45Å; D158-K161 PolarHBondContact O-N 3.37Å; D158-D162 PolarHBondContact O-N 2.86Å; D158-D162 VanDerWaalsContact O-N 3.12Å |
| 159 | K | 59.3 | Low | 56 | Low | 151 Ų | 151 | 122 Ų | 122 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.7 | -34.2 | 169.6 | -75.8 | 178 | 178.9 | 174.5 | 0 | 112.7 | R155 K161 | R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 2.9Å; K159-K161 VanDerWaalsContact C-N 3.34Å |
| 160 | S | 54.6 | Low | 56 | Low | 68 Ų | 68 | 117.4 Ų | 117.4 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.7 | -22.8 | 175 | 85.3 | 0 | 0 | 0 | 0 | 114 | D156 K157 D158 | D156-S160 WeakPolarHBondContact O-CB 3.27Å; D156-S160 PolarHBondContact O-N 3.35Å; K157-S160 PolarHBondContact O-N 3.28Å; K157-S160 PolarHBondContact O-OG 3.32Å; D158-S160 PolarHBondContact O-N 2.87Å |
| 161 | K | 53.5 | Low | 56.2 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -79.8 | -43.8 | 179.1 | -113.3 | 179 | 179.2 | 176.7 | 0 | 111.8 | K157 D158 K159 K163 K164 R165 | K157-K161 PolarHBondContact O-N 3.37Å; K157-K161 VanDerWaalsContact O-N 3.08Å; D158-K161 WeakPolarHBondContact O-CA 3.39Å; D158-K161 VanDerWaalsContact O-CB 3.31Å; D158-K161 WeakPolarHBondContact O-CB 3.45Å; D158-K161 PolarHBondContact O-N 3.37Å; K159-K161 VanDerWaalsContact C-N 3.34Å; K161-K163 VanDerWaalsContact C-N 3.34Å; K161-K163 PolarHBondContact O-N 3.44Å; K161-K164 WeakPolarHBondContact O-CA 3.31Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.42Å; K161-R165 PolarHBondContact O-N 3.37Å |
| 162 | D | 53.6 | Low | 56.6 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.2 | -36.2 | 179.2 | -72.3 | -38.8 | 0 | 0 | 0 | 111.7 | D158 K164 R165 | D158-D162 PolarHBondContact O-N 2.86Å; D158-D162 VanDerWaalsContact O-N 3.12Å; D162-K164 PolarHBondContact O-N 3.2Å; D162-K164 VanDerWaalsContact O-N 3.11Å; D162-R165 PolarHBondContact O-N 3.12Å; D162-R165 VanDerWaalsContact O-N 3.1Å; D162-R165 IonicContact OD1-NH1 3.4Å; D162-R165 PolarHBondContact OD1-NH1 3.49Å |
| 163 | K | 57 | Low | 57 | Low | 188 Ų | 188 | 119.2 Ų | 119.2 | 82% | 0.817 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.6 | -14.8 | 169 | -105.3 | 174.3 | 179 | 170.5 | 0 | 114.8 | K161 | K161-K163 VanDerWaalsContact C-N 3.34Å; K161-K163 PolarHBondContact O-N 3.44Å |
| 164 | K | 48.8 | Very low | 57.4 | Low | 159 Ų | 159 | 110.9 Ų | 110.9 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -93.4 | -17.2 | 174 | -96.5 | -173.3 | 173.4 | -176.3 | 0 | 114.3 | K161 D162 S167 | K161-K164 WeakPolarHBondContact O-CA 3.31Å; K161-K164 WeakPolarHBondContact O-CB 3.45Å; K161-K164 PolarHBondContact O-N 3.42Å; D162-K164 PolarHBondContact O-N 3.2Å; D162-K164 VanDerWaalsContact O-N 3.11Å; K164-S167 PolarHBondContact O-OG 2.87Å |
| 165 | R | 48 | Very low | 58.1 | Low | 200 Ų | 200 | 112.8 Ų | 112.8 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 177.6 | -85.1 | 176 | 150.6 | 166.4 | -12.6 | 112.5 | K161 D162 S167 G168 | K161-R165 PolarHBondContact O-N 3.37Å; D162-R165 PolarHBondContact O-N 3.12Å; D162-R165 VanDerWaalsContact O-N 3.1Å; D162-R165 IonicContact OD1-NH1 3.4Å; D162-R165 PolarHBondContact OD1-NH1 3.49Å; R165-S167 VanDerWaalsContact C-N 3.32Å; R165-S167 PolarHBondContact O-N 3.1Å; R165-G168 PolarHBondContact O-N 3.43Å; R165-G168 VanDerWaalsContact O-N 3.15Å |
| 166 | D | 50.1 | Low | 58.9 | Low | 118 Ų | 118 | 112.9 Ų | 112.9 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -70.7 | -27.4 | -176.9 | -162.3 | 22.8 | 0 | 0 | 0 | 113.4 | G168 S169 | D166-G168 PolarHBondContact O-N 3.23Å; D166-G168 VanDerWaalsContact O-N 3.09Å; D166-S169 PolarHBondContact O-N 3.25Å; D166-S169 PolarHBondContact O-OG 2.87Å |
| 167 | S | 53.8 | Low | 60.1 | Low | 75 Ų | 75 | 111 Ų | 111 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -66.4 | -9.4 | 173.2 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | K164 R165 | K164-S167 PolarHBondContact O-OG 2.87Å; R165-S167 VanDerWaalsContact C-N 3.32Å; R165-S167 PolarHBondContact O-N 3.1Å |
| 168 | G | 56.4 | Low | 61.4 | Low | 47 Ų | 47 | 108.4 Ų | 108.4 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -70.8 | -30.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R165 D166 | R165-G168 PolarHBondContact O-N 3.43Å; R165-G168 VanDerWaalsContact O-N 3.15Å; D166-G168 PolarHBondContact O-N 3.23Å; D166-G168 VanDerWaalsContact O-N 3.09Å |
| 169 | S | 57.3 | Low | 62.8 | Low | 29 Ų | 29 | 109.4 Ų | 109.4 | 20% | 0.203 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -89.1 | -7.2 | -171.9 | 71.2 | 0 | 0 | 0 | 0 | 115.2 | D166 K171 K173 | D166-S169 PolarHBondContact O-N 3.25Å; D166-S169 PolarHBondContact O-OG 2.87Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.45Å; S169-K173 WeakPolarHBondContact O-CB 3.4Å; S169-K173 WeakPolarHBondContact O-CD 3.36Å; S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.31Å; S169-K173 PolarHBondContact O-N 2.96Å; S169-K173 PolarHBondContact OG-NZ 3.31Å |
| 170 | I | 61.5 | Low | 64.1 | Low | 71 Ų | 71 | 105.3 Ų | 105.3 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.5 | -24 | -173.2 | -59.3 | 167.9 | 0 | 0 | 0 | 111.8 | L174 L189 | I170-L174 WeakPolarHBondContact O-CB 3.38Å; I170-L189 HydrophobicContact CD1-CD2 3.97Å; I170-L189 HydrophobicContact CG2-CD2 4.38Å |
| 171 | K | 63.4 | Low | 65.6 | Low | 151 Ų | 151 | 105.8 Ų | 105.8 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -78.1 | -52.3 | 173.9 | -68.9 | -173.2 | 176 | -173.4 | 0 | 110.7 | S169 K173 L174 E175 | S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 3.45Å; K171-K173 VanDerWaalsContact C-N 3.27Å; K171-K173 PolarHBondContact O-N 3.15Å; K171-L174 CarbonylContact O-C 3.51Å; K171-L174 WeakPolarHBondContact O-CA 3.43Å; K171-L174 WeakPolarHBondContact O-CB 3.44Å; K171-L174 PolarHBondContact O-N 3.3Å; K171-E175 WeakPolarHBondContact O-CG 3.38Å; K171-E175 PolarHBondContact O-N 3.42Å |
| 172 | D | 68.8 | Low | 67.3 | Low | 100 Ų | 100 | 101.3 Ų | 101.3 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.2 | -41.9 | 179 | -44.3 | -0 | 0 | 0 | 0 | 111.8 | L174 | D172-L174 PolarHBondContact O-N 2.88Å |
| 173 | K | 65.1 | Low | 69 | Low | 142 Ų | 142 | 99.5 Ų | 99.5 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -8.9 | 175 | -73.5 | 169.2 | 178.9 | 162.5 | 0 | 115 | S169 K171 | S169-K173 WeakPolarHBondContact O-CB 3.4Å; S169-K173 WeakPolarHBondContact O-CD 3.36Å; S169-K173 VanDerWaalsContact O-CG 3.26Å; S169-K173 WeakPolarHBondContact O-CG 3.31Å; S169-K173 PolarHBondContact O-N 2.96Å; S169-K173 PolarHBondContact OG-NZ 3.31Å; K171-K173 VanDerWaalsContact C-N 3.27Å; K171-K173 PolarHBondContact O-N 3.15Å |
| 174 | L | 67.2 | Low | 70.6 | Confident | 10 Ų | 10 | 97.7 Ų | 97.7 | 5% | 0.052 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -21 | -168.1 | -156.2 | 68.8 | 0 | 0 | 0 | 112.5 | I170 K171 D172 H176 L177 Q182 V185 R186 | I170-L174 WeakPolarHBondContact O-CB 3.38Å; K171-L174 CarbonylContact O-C 3.51Å; K171-L174 WeakPolarHBondContact O-CA 3.43Å; K171-L174 WeakPolarHBondContact O-CB 3.44Å; K171-L174 PolarHBondContact O-N 3.3Å; D172-L174 PolarHBondContact O-N 2.88Å; L174-H176 PolarHBondContact O-N 2.87Å; L174-L177 HydrophobicContact CD1-CD1 4.21Å; L174-L177 PolarHBondContact O-N 3.12Å; L174-Q182 HydrophobicContact CD1-CB 3.84Å; L174-Q182 HydrophobicContact CD1-CG 3.96Å; L174-Q182 HydrophobicContact CD2-CB 4.17Å; L174-Q182 HydrophobicContact CD2-CG 4.44Å; L174-Q182 HydrophobicContact CG-CB 3.83Å; L174-Q182 HydrophobicContact CG-CG 3.69Å; L174-Q182 VanDerWaalsContact O-CD 3.29Å; L174-Q182 WeakPolarHBondContact O-CG 3.49Å; L174-Q182 PolarHBondContact O-NE2 3.47Å; L174-V185 HydrophobicContact CD1-CB 3.86Å; L174-V185 HydrophobicContact CD1-CG1 3.9Å; L174-V185 HydrophobicContact CD1-CG2 4.47Å; L174-R186 HydrophobicContact CD2-CG 4.11Å; L174-R186 VanDerWaalsContact CD2-NE 3.32Å |
| 175 | E | 72 | Confident | 72.5 | Confident | 132 Ų | 132 | 93.5 Ų | 93.5 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -20 | -177.9 | -81.5 | 170 | -162.9 | 0 | 0 | 114.2 | K171 | K171-E175 WeakPolarHBondContact O-CG 3.38Å; K171-E175 PolarHBondContact O-N 3.42Å |
| 176 | H | 76.3 | Confident | 74.4 | Confident | 180 Ų | 180 | 90.6 Ų | 90.6 | 83% | 0.833 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -4.7 | 177 | -57 | -52.6 | 0 | 0 | 0 | 114.7 | L174 | L174-H176 PolarHBondContact O-N 2.87Š|
| 177 | L | 81.6 | Confident | 76.4 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 31% | 0.314 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -96.1 | 147.7 | -176.5 | -73.6 | 166.7 | 0 | 0 | 0 | 111.4 | L174 E181 Q182 V185 | L174-L177 HydrophobicContact CD1-CD1 4.21Å; L174-L177 PolarHBondContact O-N 3.12Å; L177-E181 HydrophobicContact CB-CB 4.09Å; L177-E181 HydrophobicContact CD2-CB 4.15Å; L177-Q182 HydrophobicContact CB-CG 3.98Å; L177-Q182 WeakPolarHBondContact O-CG 3.19Å; L177-Q182 PolarHBondContact O-NE2 3.35Å; L177-V185 HydrophobicContact CD1-CG2 4.12Å |
| 178 | T | 85.3 | Confident | 78.2 | Confident | 76 Ų | 76 | 92 Ų | 92 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | trans | -62.6 | 149.3 | 175.9 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | A180 E181 Q182 | T178-A180 PolarHBondContact O-N 2.86Å; T178-E181 VanDerWaalsContact CB-OE2 3.32Å; T178-E181 WeakPolarHBondContact CB-OE2 3.36Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.3Å; T178-E181 PolarHBondContact N-OE2 2.9Å; T178-E181 WeakPolarHBondContact O-CA 3.42Å; T178-E181 WeakPolarHBondContact O-CB 3.35Å; T178-E181 PolarHBondContact O-N 3.45Å; T178-E181 WeakPolarHBondContact OG1-CG 3.4Å; T178-E181 PolarHBondContact OG1-OE2 3.29Å; T178-Q182 WeakPolarHBondContact O-CG 3.25Å; T178-Q182 PolarHBondContact O-N 3.33Å | ||
| 179 | P | 86.2 | Confident | 79.9 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 71% | 0.708 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -53.3 | -29.6 | -177.2 | -29.8 | 36.4 | 0 | 0 | 0 | 115 | A183 | P179-A183 PolarHBondContact O-N 2.97Å; P179-A183 VanDerWaalsContact O-N 3.15Å |
| 180 | A | 86.6 | Confident | 81.5 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T178 A183 K184 | T178-A180 PolarHBondContact O-N 2.86Å; A180-A183 PolarHBondContact O-N 2.94Å; A180-K184 WeakPolarHBondContact O-CG 3.37Å; A180-K184 PolarHBondContact O-N 3.01Å |
| 181 | E | 85.9 | Confident | 83.1 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 174.1 | -67.1 | 160.5 | 146.9 | 0 | 0 | 111.4 | L177 T178 A183 K184 V185 | L177-E181 HydrophobicContact CB-CB 4.09Å; L177-E181 HydrophobicContact CD2-CB 4.15Å; T178-E181 VanDerWaalsContact CB-OE2 3.32Å; T178-E181 WeakPolarHBondContact CB-OE2 3.36Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.3Å; T178-E181 PolarHBondContact N-OE2 2.9Å; T178-E181 WeakPolarHBondContact O-CA 3.42Å; T178-E181 WeakPolarHBondContact O-CB 3.35Å; T178-E181 PolarHBondContact O-N 3.45Å; T178-E181 WeakPolarHBondContact OG1-CG 3.4Å; T178-E181 PolarHBondContact OG1-OE2 3.29Å; E181-A183 PolarHBondContact O-N 3.26Å; E181-K184 WeakPolarHBondContact O-CB 3.27Å; E181-K184 PolarHBondContact O-N 3.4Å; E181-K184 VanDerWaalsContact O-N 3.1Å; E181-V185 WeakPolarHBondContact O-CG2 3.35Å; E181-V185 PolarHBondContact O-N 2.84Å |
| 182 | Q | 89.3 | Confident | 84.5 | Confident | 41 Ų | 41 | 94.6 Ų | 94.6 | 19% | 0.192 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -58 | -39.9 | 174.1 | -60.1 | -168.2 | 16.9 | 0 | 0 | 111.8 | L174 L177 T178 R186 | L174-Q182 HydrophobicContact CD1-CB 3.84Å; L174-Q182 HydrophobicContact CD1-CG 3.96Å; L174-Q182 HydrophobicContact CD2-CB 4.17Å; L174-Q182 HydrophobicContact CD2-CG 4.44Å; L174-Q182 HydrophobicContact CG-CB 3.83Å; L174-Q182 HydrophobicContact CG-CG 3.69Å; L174-Q182 VanDerWaalsContact O-CD 3.29Å; L174-Q182 WeakPolarHBondContact O-CG 3.49Å; L174-Q182 PolarHBondContact O-NE2 3.47Å; L177-Q182 HydrophobicContact CB-CG 3.98Å; L177-Q182 WeakPolarHBondContact O-CG 3.19Å; L177-Q182 PolarHBondContact O-NE2 3.35Å; T178-Q182 WeakPolarHBondContact O-CG 3.25Å; T178-Q182 PolarHBondContact O-N 3.33Å; Q182-R186 WeakPolarHBondContact O-CB 3.49Å; Q182-R186 VanDerWaalsContact O-CG 3.27Å; Q182-R186 WeakPolarHBondContact O-CG 3.39Å; Q182-R186 PolarHBondContact O-N 3.12Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.12Å |
| 183 | A | 87.9 | Confident | 85.5 | Confident | 57 Ų | 57 | 92.2 Ų | 92.2 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | P179 A180 E181 R186 M187 | P179-A183 PolarHBondContact O-N 2.97Å; P179-A183 VanDerWaalsContact O-N 3.15Å; A180-A183 PolarHBondContact O-N 2.94Å; E181-A183 PolarHBondContact O-N 3.26Å; A183-R186 PolarHBondContact O-N 2.83Å; A183-M187 VanDerWaalsContact O-CB 3.3Å; A183-M187 WeakPolarHBondContact O-CB 3.46Å; A183-M187 PolarHBondContact O-N 3.4Å |
| 184 | K | 90.6 | Very high | 86.6 | Confident | 151 Ų | 151 | 87.7 Ų | 87.7 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.9 | -47 | 175.6 | -67.9 | 174.5 | -176.9 | 178.2 | 0 | 112 | A180 E181 M187 H188 | A180-K184 WeakPolarHBondContact O-CG 3.37Å; A180-K184 PolarHBondContact O-N 3.01Å; E181-K184 WeakPolarHBondContact O-CB 3.27Å; E181-K184 PolarHBondContact O-N 3.4Å; E181-K184 VanDerWaalsContact O-N 3.1Å; K184-M187 PolarHBondContact O-N 3.29Å; K184-H188 WeakPolarHBondContact O-CB 3.33Å; K184-H188 PolarHBondContact O-N 2.96Å |
| 185 | V | 88.9 | Confident | 87.8 | Confident | 70 Ų | 70 | 89.9 Ų | 89.9 | 42% | 0.424 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | L174 L177 E181 M187 H188 L189 | L174-V185 HydrophobicContact CD1-CB 3.86Å; L174-V185 HydrophobicContact CD1-CG1 3.9Å; L174-V185 HydrophobicContact CD1-CG2 4.47Å; L177-V185 HydrophobicContact CD1-CG2 4.12Å; E181-V185 WeakPolarHBondContact O-CG2 3.35Å; E181-V185 PolarHBondContact O-N 2.84Å; V185-M187 PolarHBondContact O-N 3.14Å; V185-H188 PolarHBondContact O-N 3.41Å; V185-L189 WeakPolarHBondContact O-CB 3.27Å; V185-L189 PolarHBondContact O-N 3.04Å |
| 186 | R | 87.3 | Confident | 88.5 | Confident | 139 Ų | 139 | 89.9 Ų | 89.9 | 53% | 0.525 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.2 | -73.2 | 175.4 | -170.5 | 159.4 | 16.3 | 111.9 | L174 Q182 A183 L189 V190 | L174-R186 HydrophobicContact CD2-CG 4.11Å; L174-R186 VanDerWaalsContact CD2-NE 3.32Å; Q182-R186 WeakPolarHBondContact O-CB 3.49Å; Q182-R186 VanDerWaalsContact O-CG 3.27Å; Q182-R186 WeakPolarHBondContact O-CG 3.39Å; Q182-R186 PolarHBondContact O-N 3.12Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.12Å; A183-R186 PolarHBondContact O-N 2.83Å; R186-L189 PolarHBondContact O-N 2.8Å; R186-V190 WeakPolarHBondContact O-CG2 3.36Å; R186-V190 PolarHBondContact O-N 3.34Å |
| 187 | M | 92.8 | Very high | 88.7 | Confident | 114 Ų | 114 | 85.2 Ų | 85.2 | 56% | 0.562 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | 178.8 | -175.8 | -89 | -173.8 | 0 | 0 | 111.6 | A183 K184 V185 L189 V190 L191 | A183-M187 VanDerWaalsContact O-CB 3.3Å; A183-M187 WeakPolarHBondContact O-CB 3.46Å; A183-M187 PolarHBondContact O-N 3.4Å; K184-M187 PolarHBondContact O-N 3.29Å; V185-M187 PolarHBondContact O-N 3.14Å; M187-L189 PolarHBondContact O-N 3.35Å; M187-V190 PolarHBondContact O-N 3.11Å; M187-L191 HydrophobicContact CE-CD1 3.6Å; M187-L191 HydrophobicContact CE-CD2 4.39Å; M187-L191 HydrophobicContact CE-CG 4.08Å; M187-L191 PolarHBondContact O-N 3.15Å; M187-L191 HydrophobicContact SD-CD1 3.63Å; M187-L191 HydrophobicContact SD-CG 4.07Å |
| 188 | H | 92.1 | Very high | 88.8 | Confident | 108 Ų | 108 | 87.2 Ų | 87.2 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.9 | -171.6 | 76.5 | 0 | 0 | 0 | 112.4 | K184 V185 V190 L191 Q192 | K184-H188 WeakPolarHBondContact O-CB 3.33Å; K184-H188 PolarHBondContact O-N 2.96Å; V185-H188 PolarHBondContact O-N 3.41Å; H188-V190 VanDerWaalsContact C-N 3.34Å; H188-V190 PolarHBondContact O-N 3.5Å; H188-L191 PolarHBondContact O-N 2.97Å; H188-Q192 PolarHBondContact CD2-NE2 3.4Å; H188-Q192 PolarHBondContact NE2-NE2 3.3Å; H188-Q192 WeakPolarHBondContact O-CG 3.31Å; H188-Q192 PolarHBondContact O-N 3.02Å |
| 189 | L | 91.1 | Very high | 88.7 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 41% | 0.408 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 175.1 | -177.2 | 64.5 | 0 | 0 | 0 | 112.3 | I170 V185 R186 M187 Q192 A193 | I170-L189 HydrophobicContact CD1-CD2 3.97Å; I170-L189 HydrophobicContact CG2-CD2 4.38Å; V185-L189 WeakPolarHBondContact O-CB 3.27Å; V185-L189 PolarHBondContact O-N 3.04Å; R186-L189 PolarHBondContact O-N 2.8Å; M187-L189 PolarHBondContact O-N 3.35Å; L189-Q192 PolarHBondContact O-N 2.99Å; L189-A193 WeakPolarHBondContact O-CB 3.47Å; L189-A193 PolarHBondContact O-N 2.85Å |
| 190 | V | 92.3 | Very high | 88.5 | Confident | 99 Ų | 99 | 88.8 Ų | 88.8 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | R186 M187 H188 A193 A194 | R186-V190 WeakPolarHBondContact O-CG2 3.36Å; R186-V190 PolarHBondContact O-N 3.34Å; M187-V190 PolarHBondContact O-N 3.11Å; H188-V190 VanDerWaalsContact C-N 3.34Å; H188-V190 PolarHBondContact O-N 3.5Å; V190-A193 PolarHBondContact O-N 3.3Å; V190-A194 WeakPolarHBondContact O-CB 3.33Å; V190-A194 PolarHBondContact O-N 2.69Å |
| 191 | L | 94.8 | Very high | 87.8 | Confident | 93 Ų | 93 | 90.4 Ų | 90.4 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 174.5 | -71.7 | -179 | 0 | 0 | 0 | 112.2 | M187 H188 A193 A194 A195 | M187-L191 HydrophobicContact CE-CD1 3.6Å; M187-L191 HydrophobicContact CE-CD2 4.39Å; M187-L191 HydrophobicContact CE-CG 4.08Å; M187-L191 PolarHBondContact O-N 3.15Å; M187-L191 HydrophobicContact SD-CD1 3.63Å; M187-L191 HydrophobicContact SD-CG 4.07Å; H188-L191 PolarHBondContact O-N 2.97Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.85Å; L191-A194 PolarHBondContact O-N 3.05Å; L191-A195 PolarHBondContact O-N 2.98Å |
| 192 | Q | 92.1 | Very high | 87.6 | Confident | 83 Ų | 83 | 94 Ų | 94 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 175.7 | -71.2 | -169.9 | 8.1 | 0 | 0 | 112.4 | H188 L189 K196 | H188-Q192 PolarHBondContact CD2-NE2 3.4Å; H188-Q192 PolarHBondContact NE2-NE2 3.3Å; H188-Q192 WeakPolarHBondContact O-CG 3.31Å; H188-Q192 PolarHBondContact O-N 3.02Å; L189-Q192 PolarHBondContact O-N 2.99Å; Q192-K196 WeakPolarHBondContact O-CG 3.45Å; Q192-K196 PolarHBondContact O-N 3.13Å |
| 193 | A | 89.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 94.7 Ų | 94.7 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L189 V190 L191 K196 T197 | L189-A193 WeakPolarHBondContact O-CB 3.47Å; L189-A193 PolarHBondContact O-N 2.85Å; V190-A193 PolarHBondContact O-N 3.3Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.85Å; A193-K196 PolarHBondContact O-N 2.94Å; A193-T197 WeakPolarHBondContact O-CG2 3.38Å; A193-T197 PolarHBondContact O-N 3.12Å; A193-T197 PolarHBondContact O-OG1 3.47Å |
| 194 | A | 89.6 | Confident | 86.5 | Confident | 47 Ų | 47 | 98.7 Ų | 98.7 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V190 L191 K196 T197 D198 | V190-A194 WeakPolarHBondContact O-CB 3.33Å; V190-A194 PolarHBondContact O-N 2.69Å; L191-A194 PolarHBondContact O-N 3.05Å; A194-K196 PolarHBondContact O-N 3.37Å; A194-T197 WeakPolarHBondContact CA-OG1 3.36Å; A194-T197 CarbonylContact O-C 3.6Å; A194-T197 PolarHBondContact O-N 3.15Å; A194-T197 PolarHBondContact O-OG1 2.83Å; A194-D198 PolarHBondContact O-N 3.05Å |
| 195 | A | 91.3 | Very high | 86 | Confident | 55 Ų | 55 | 95.9 Ų | 95.9 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L191 T197 D198 E199 | L191-A195 PolarHBondContact O-N 2.98Å; A195-T197 VanDerWaalsContact C-N 3.25Å; A195-T197 PolarHBondContact O-N 2.82Å; A195-D198 PolarHBondContact O-N 3.35Å; A195-D198 VanDerWaalsContact O-N 3.07Å; A195-E199 PolarHBondContact O-N 3.03Å |
| 196 | K | 86.6 | Confident | 85.3 | Confident | 132 Ų | 132 | 94.6 Ų | 94.6 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -28.3 | 175.4 | -73.9 | 169.4 | 178.2 | 167.4 | 0 | 113.4 | Q192 A193 A194 V200 | Q192-K196 WeakPolarHBondContact O-CG 3.45Å; Q192-K196 PolarHBondContact O-N 3.13Å; A193-K196 PolarHBondContact O-N 2.94Å; A194-K196 PolarHBondContact O-N 3.37Å; K196-V200 WeakPolarHBondContact O-CG2 3.32Å |
| 197 | T | 80.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 94.5 Ų | 94.5 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.3 | -31.9 | 172.1 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | A193 A194 A195 V200 L201 | A193-T197 WeakPolarHBondContact O-CG2 3.38Å; A193-T197 PolarHBondContact O-N 3.12Å; A193-T197 PolarHBondContact O-OG1 3.47Å; A194-T197 WeakPolarHBondContact CA-OG1 3.36Å; A194-T197 CarbonylContact O-C 3.6Å; A194-T197 PolarHBondContact O-N 3.15Å; A194-T197 PolarHBondContact O-OG1 2.83Å; A195-T197 VanDerWaalsContact C-N 3.25Å; A195-T197 PolarHBondContact O-N 2.82Å; T197-V200 PolarHBondContact O-N 3.02Å; T197-L201 WeakPolarHBondContact O-CG 3.31Å; T197-L201 PolarHBondContact O-N 3.37Å |
| 198 | D | 83.9 | Confident | 83.8 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 178.2 | -166.7 | 49.8 | 0 | 0 | 0 | 111.5 | A194 A195 V200 L201 K202 | A194-D198 PolarHBondContact O-N 3.05Å; A195-D198 PolarHBondContact O-N 3.35Å; A195-D198 VanDerWaalsContact O-N 3.07Å; D198-V200 VanDerWaalsContact C-N 3.29Å; D198-V200 PolarHBondContact O-N 3.37Å; D198-L201 CarbonylContact O-C 3.55Å; D198-L201 PolarHBondContact O-N 3.37Å; D198-L201 VanDerWaalsContact O-N 3.09Å; D198-K202 WeakPolarHBondContact O-CB 3.45Å; D198-K202 PolarHBondContact O-N 2.75Å |
| 199 | E | 82.8 | Confident | 83 | Confident | 137 Ų | 137 | 97.6 Ų | 97.6 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.4 | -42.6 | 170.1 | -70.3 | 174.5 | 172 | 0 | 0 | 112.4 | A195 K202 A203 | A195-E199 PolarHBondContact O-N 3.03Å; E199-K202 PolarHBondContact O-N 3.22Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.03Å |
| 200 | V | 81.9 | Confident | 82 | Confident | 80 Ų | 80 | 100.2 Ų | 100.2 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.2 | -32.8 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | K196 T197 D198 K204 | K196-V200 WeakPolarHBondContact O-CG2 3.32Å; T197-V200 PolarHBondContact O-N 3.02Å; D198-V200 VanDerWaalsContact C-N 3.29Å; D198-V200 PolarHBondContact O-N 3.37Å; V200-K204 WeakPolarHBondContact O-CG 3.45Å; V200-K204 PolarHBondContact O-N 3.33Å |
| 201 | L | 71.9 | Confident | 81.1 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -46.1 | 173.2 | -70.8 | 173 | 0 | 0 | 0 | 110.7 | T197 D198 A203 K204 V205 | T197-L201 WeakPolarHBondContact O-CG 3.31Å; T197-L201 PolarHBondContact O-N 3.37Å; D198-L201 CarbonylContact O-C 3.55Å; D198-L201 PolarHBondContact O-N 3.37Å; D198-L201 VanDerWaalsContact O-N 3.09Å; L201-A203 VanDerWaalsContact C-N 3.34Å; L201-A203 PolarHBondContact O-N 2.71Å; L201-K204 CarbonylContact O-C 3.59Å; L201-K204 WeakPolarHBondContact O-CA 3.42Å; L201-K204 WeakPolarHBondContact O-CB 3.38Å; L201-K204 PolarHBondContact O-N 2.64Å; L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.13Å |
| 202 | K | 82.8 | Confident | 79.9 | Confident | 155 Ų | 155 | 99.6 Ų | 99.6 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -43.2 | 175.3 | -169.8 | 174.4 | -178.7 | 178 | 0 | 111.8 | D198 E199 K204 V205 A206 | D198-K202 WeakPolarHBondContact O-CB 3.45Å; D198-K202 PolarHBondContact O-N 2.75Å; E199-K202 PolarHBondContact O-N 3.22Å; K202-K204 VanDerWaalsContact C-N 3.31Å; K202-K204 PolarHBondContact O-N 3.11Å; K202-V205 PolarHBondContact O-N 3.39Å; K202-A206 WeakPolarHBondContact O-CB 3.23Å; K202-A206 PolarHBondContact O-N 2.82Å |
| 203 | A | 79.8 | Confident | 78.9 | Confident | 55 Ų | 55 | 103.4 Ų | 103.4 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E199 L201 K207 | E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.03Å; L201-A203 VanDerWaalsContact C-N 3.34Å; L201-A203 PolarHBondContact O-N 2.71Å; A203-K207 WeakPolarHBondContact O-CG 3.49Å; A203-K207 PolarHBondContact O-N 2.9Å |
| 204 | K | 75.2 | Confident | 77.9 | Confident | 141 Ų | 141 | 107.8 Ų | 107.8 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76.7 | -35.2 | 173.7 | -74.2 | 175 | 179.5 | -178.1 | 0 | 112.8 | V200 L201 K202 R208 | V200-K204 WeakPolarHBondContact O-CG 3.45Å; V200-K204 PolarHBondContact O-N 3.33Å; L201-K204 CarbonylContact O-C 3.59Å; L201-K204 WeakPolarHBondContact O-CA 3.42Å; L201-K204 WeakPolarHBondContact O-CB 3.38Å; L201-K204 PolarHBondContact O-N 2.64Å; K202-K204 VanDerWaalsContact C-N 3.31Å; K202-K204 PolarHBondContact O-N 3.11Å; K204-R208 WeakPolarHBondContact O-CB 3.28Å; K204-R208 PolarHBondContact O-N 3Å; K204-R208 VanDerWaalsContact O-N 3.08Å |
| 205 | V | 78.1 | Confident | 77 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -46.4 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 110 | L201 K202 K207 R208 E209 | L201-V205 WeakPolarHBondContact O-CG2 3.4Å; L201-V205 PolarHBondContact O-N 3.13Å; K202-V205 PolarHBondContact O-N 3.39Å; V205-K207 PolarHBondContact O-N 3.33Å; V205-R208 CarbonylContact O-C 3.58Å; V205-R208 PolarHBondContact O-N 2.82Å; V205-R208 VanDerWaalsContact O-N 3.13Å; V205-E209 WeakPolarHBondContact O-CB 3.35Å; V205-E209 PolarHBondContact O-N 3.39Å |
| 206 | A | 75.4 | Confident | 75.7 | Confident | 44 Ų | 44 | 114.6 Ų | 114.6 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.6 | -48.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K202 R208 E209 E210 | K202-A206 WeakPolarHBondContact O-CB 3.23Å; K202-A206 PolarHBondContact O-N 2.82Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 2.8Å; A206-E209 WeakPolarHBondContact O-CB 3.38Å; A206-E209 PolarHBondContact O-N 2.93Å; A206-E209 VanDerWaalsContact O-N 3.08Å; A206-E210 PolarHBondContact O-N 3.37Å |
| 207 | K | 74.2 | Confident | 74.8 | Confident | 136 Ų | 136 | 115 Ų | 115 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.3 | -41.3 | 175 | -73.5 | -175.5 | 177.1 | -158.5 | 0 | 113.1 | A203 V205 E209 E210 E211 | A203-K207 WeakPolarHBondContact O-CG 3.49Å; A203-K207 PolarHBondContact O-N 2.9Å; V205-K207 PolarHBondContact O-N 3.33Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.25Å; K207-E210 PolarHBondContact O-N 2.88Å; K207-E211 WeakPolarHBondContact O-CB 3.5Å; K207-E211 VanDerWaalsContact O-CG 3.28Å; K207-E211 WeakPolarHBondContact O-CG 3.46Å; K207-E211 PolarHBondContact O-N 2.78Å |
| 208 | R | 74.6 | Confident | 74.1 | Confident | 194 Ų | 194 | 117 Ų | 117 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.7 | -30.4 | 176.3 | -173.2 | 179.2 | 178.8 | -166.2 | -2.1 | 112.4 | K204 V205 A206 A212 | K204-R208 WeakPolarHBondContact O-CB 3.28Å; K204-R208 PolarHBondContact O-N 3Å; K204-R208 VanDerWaalsContact O-N 3.08Å; V205-R208 CarbonylContact O-C 3.58Å; V205-R208 PolarHBondContact O-N 2.82Å; V205-R208 VanDerWaalsContact O-N 3.13Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 2.8Å; R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 2.86Å |
| 209 | E | 74.1 | Confident | 73.3 | Confident | 93 Ų | 93 | 118.3 Ų | 118.3 | 44% | 0.435 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.4 | -43 | 175.5 | -166.5 | -174.4 | 153.1 | 0 | 0 | 111.4 | V205 A206 K207 A212 R213 | V205-E209 WeakPolarHBondContact O-CB 3.35Å; V205-E209 PolarHBondContact O-N 3.39Å; A206-E209 WeakPolarHBondContact O-CB 3.38Å; A206-E209 PolarHBondContact O-N 2.93Å; A206-E209 VanDerWaalsContact O-N 3.08Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.25Å; E209-A212 PolarHBondContact O-N 3.37Å; E209-A212 VanDerWaalsContact O-N 3.13Å; E209-R213 WeakPolarHBondContact O-CG 3.35Å; E209-R213 PolarHBondContact O-N 3.13Å; E209-R213 IonicContact OE1-CZ 3.33Å; E209-R213 IonicContact OE1-NE 3.15Å; E209-R213 PolarHBondContact OE1-NE 3.08Å; E209-R213 VanDerWaalsContact OE1-NE 3.15Å; E209-R213 IonicContact OE1-NH2 3.95Å; E209-R213 PolarHBondContact OE1-NH2 2.79Å |
| 210 | E | 71.1 | Confident | 72.3 | Confident | 134 Ų | 134 | 113 Ų | 113 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.6 | -44.5 | 171.9 | -71.3 | 175.6 | 166.9 | 0 | 0 | 111.5 | A206 K207 A212 R213 K214 | A206-E210 PolarHBondContact O-N 3.37Å; K207-E210 PolarHBondContact O-N 2.88Å; E210-A212 VanDerWaalsContact C-N 3.27Å; E210-A212 PolarHBondContact O-N 2.84Å; E210-R213 PolarHBondContact O-N 2.94Å; E210-K214 WeakPolarHBondContact O-CB 3.42Å; E210-K214 PolarHBondContact O-N 3.07Å |
| 211 | E | 72.6 | Confident | 71.4 | Confident | 123 Ų | 123 | 113 Ų | 113 | 58% | 0.575 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -32.2 | 172.6 | -75.6 | 171.6 | -165.8 | 0 | 0 | 113 | K207 K215 | K207-E211 WeakPolarHBondContact O-CB 3.5Å; K207-E211 VanDerWaalsContact O-CG 3.28Å; K207-E211 WeakPolarHBondContact O-CG 3.46Å; K207-E211 PolarHBondContact O-N 2.78Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3.47Å |
| 212 | A | 70.9 | Confident | 71.7 | Confident | 55 Ų | 55 | 110.9 Ų | 110.9 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.8 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R208 E209 E210 K215 L216 | R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 2.86Å; E209-A212 PolarHBondContact O-N 3.37Å; E209-A212 VanDerWaalsContact O-N 3.13Å; E210-A212 VanDerWaalsContact C-N 3.27Å; E210-A212 PolarHBondContact O-N 2.84Å; A212-K215 PolarHBondContact O-N 3.08Å; A212-L216 PolarHBondContact O-N 3.03Å |
| 213 | R | 70 | Confident | 71.5 | Confident | 164 Ų | 164 | 108.7 Ų | 108.7 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 175.3 | -72.2 | 175.3 | -176.7 | -136.3 | 5.4 | 111.2 | E209 E210 K215 L216 E217 | E209-R213 WeakPolarHBondContact O-CG 3.35Å; E209-R213 PolarHBondContact O-N 3.13Å; E209-R213 IonicContact OE1-CZ 3.33Å; E209-R213 IonicContact OE1-NE 3.15Å; E209-R213 PolarHBondContact OE1-NE 3.08Å; E209-R213 VanDerWaalsContact OE1-NE 3.15Å; E209-R213 IonicContact OE1-NH2 3.95Å; E209-R213 PolarHBondContact OE1-NH2 2.79Å; E210-R213 PolarHBondContact O-N 2.94Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.44Å; R213-L216 WeakPolarHBondContact O-CB 3.3Å; R213-L216 PolarHBondContact O-N 3.29Å; R213-L216 VanDerWaalsContact O-N 3.12Å; R213-E217 PolarHBondContact O-N 3.32Å |
| 214 | K | 69.7 | Low | 71.7 | Confident | 142 Ų | 142 | 112.5 Ų | 112.5 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -39.9 | 176.1 | -175.1 | 177.9 | 177.4 | -177 | 0 | 112.5 | E210 E217 E218 | E210-K214 WeakPolarHBondContact O-CB 3.42Å; E210-K214 PolarHBondContact O-N 3.07Å; K214-E217 PolarHBondContact O-N 2.9Å; K214-E218 WeakPolarHBondContact O-CB 3.48Å; K214-E218 PolarHBondContact O-N 2.88Å |
| 215 | K | 69.6 | Low | 72.2 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -38.5 | 175.2 | -74.7 | 174.8 | -179.5 | -174.8 | 0 | 112.6 | E211 A212 R213 E217 E218 E219 | E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3.47Å; A212-K215 PolarHBondContact O-N 3.08Å; R213-K215 VanDerWaalsContact C-N 3.31Å; R213-K215 PolarHBondContact O-N 3.44Å; K215-E217 VanDerWaalsContact C-N 3.31Å; K215-E217 PolarHBondContact O-N 3.41Å; K215-E218 PolarHBondContact O-N 2.77Å; K215-E219 VanDerWaalsContact O-CB 3.3Å; K215-E219 WeakPolarHBondContact O-CB 3.38Å; K215-E219 VanDerWaalsContact O-CG 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.33Å; K215-E219 PolarHBondContact O-N 3.09Å |
| 216 | L | 64.6 | Low | 72.7 | Confident | 123 Ų | 123 | 113.6 Ų | 113.6 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -35.4 | 177.1 | -143.6 | 168.3 | 0 | 0 | 0 | 111.3 | A212 R213 G220 | A212-L216 PolarHBondContact O-N 3.03Å; R213-L216 WeakPolarHBondContact O-CB 3.3Å; R213-L216 PolarHBondContact O-N 3.29Å; R213-L216 VanDerWaalsContact O-N 3.12Å; L216-G220 PolarHBondContact O-N 2.72Å |
| 217 | E | 67.4 | Low | 73.4 | Confident | 140 Ų | 140 | 114.5 Ų | 114.5 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.7 | -41.3 | 172.8 | -170.6 | 177.5 | -173.4 | 0 | 0 | 112.4 | R213 K214 K215 G220 T221 | R213-E217 PolarHBondContact O-N 3.32Å; K214-E217 PolarHBondContact O-N 2.9Å; K215-E217 VanDerWaalsContact C-N 3.31Å; K215-E217 PolarHBondContact O-N 3.41Å; E217-G220 PolarHBondContact O-N 3.33Å; E217-T221 PolarHBondContact O-N 3.25Å; E217-T221 PolarHBondContact O-OG1 3.46Å |
| 218 | E | 66.5 | Low | 74.2 | Confident | 125 Ų | 125 | 116.2 Ų | 116.2 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -37.7 | 174.9 | -170.9 | 173.2 | -178.8 | 0 | 0 | 112.4 | K214 K215 T221 S222 | K214-E218 WeakPolarHBondContact O-CB 3.48Å; K214-E218 PolarHBondContact O-N 2.88Å; K215-E218 PolarHBondContact O-N 2.77Å; E218-T221 PolarHBondContact O-OG1 3.42Å; E218-S222 PolarHBondContact O-N 2.91Å |
| 219 | E | 67.1 | Low | 75 | Confident | 130 Ų | 130 | 115.3 Ų | 115.3 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.1 | -33.9 | 171 | -73.2 | 169.3 | -164.5 | 0 | 0 | 111.6 | K215 S222 L223 | K215-E219 VanDerWaalsContact O-CB 3.3Å; K215-E219 WeakPolarHBondContact O-CB 3.38Å; K215-E219 VanDerWaalsContact O-CG 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.33Å; K215-E219 PolarHBondContact O-N 3.09Å; E219-S222 PolarHBondContact O-N 3.27Å; E219-L223 WeakPolarHBondContact O-CB 3.43Å; E219-L223 PolarHBondContact O-N 2.93Å |
| 220 | G | 62 | Low | 75.9 | Confident | 25 Ų | 25 | 115.9 Ų | 115.9 | 26% | 0.258 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.2 | -52.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L216 E217 S222 L223 E224 | L216-G220 PolarHBondContact O-N 2.72Å; E217-G220 PolarHBondContact O-N 3.33Å; G220-S222 VanDerWaalsContact C-N 3.28Å; G220-S222 PolarHBondContact O-N 3.05Å; G220-L223 PolarHBondContact O-N 2.96Å; G220-L223 VanDerWaalsContact O-N 3.12Å; G220-E224 WeakPolarHBondContact O-CG 3.36Å; G220-E224 PolarHBondContact O-N 3.27Å |
| 221 | T | 61.9 | Low | 77 | Confident | 80 Ų | 80 | 115.5 Ų | 115.5 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -35.2 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | E217 E218 E225 | E217-T221 PolarHBondContact O-N 3.25Å; E217-T221 PolarHBondContact O-OG1 3.46Å; E218-T221 PolarHBondContact O-OG1 3.42Å; T221-E225 WeakPolarHBondContact O-CB 3.49Å; T221-E225 PolarHBondContact O-N 2.95Å |
| 222 | S | 78.8 | Confident | 78 | Confident | 54 Ų | 54 | 113.7 Ų | 113.7 | 38% | 0.378 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 113.4 | E218 E219 G220 Q226 | E218-S222 PolarHBondContact O-N 2.91Å; E219-S222 PolarHBondContact O-N 3.27Å; G220-S222 VanDerWaalsContact C-N 3.28Å; G220-S222 PolarHBondContact O-N 3.05Å; S222-Q226 VanDerWaalsContact O-CG 3.31Å; S222-Q226 WeakPolarHBondContact O-CG 3.49Å; S222-Q226 PolarHBondContact O-N 3.43Å; S222-Q226 VanDerWaalsContact O-N 3.12Å; S222-Q226 PolarHBondContact O-NE2 2.9Å; S222-Q226 PolarHBondContact OG-NE2 3.46Å |
| 223 | L | 78.8 | Confident | 78.9 | Confident | 109 Ų | 109 | 114.3 Ų | 114.3 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.2 | -39 | 178.3 | -162.3 | 154.3 | 0 | 0 | 0 | 111.1 | E219 G220 Q226 V227 | E219-L223 WeakPolarHBondContact O-CB 3.43Å; E219-L223 PolarHBondContact O-N 2.93Å; G220-L223 PolarHBondContact O-N 2.96Å; G220-L223 VanDerWaalsContact O-N 3.12Å; L223-Q226 PolarHBondContact O-N 3.46Å; L223-V227 HydrophobicContact CD2-CG2 3.99Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.2Å |
| 224 | E | 82.3 | Confident | 79.8 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 172.4 | -72.2 | 170.9 | -179.5 | 0 | 0 | 112.2 | G220 V227 R228 | G220-E224 WeakPolarHBondContact O-CG 3.36Å; G220-E224 PolarHBondContact O-N 3.27Å; E224-V227 PolarHBondContact O-N 3.48Å; E224-R228 WeakPolarHBondContact O-CB 3.48Å; E224-R228 PolarHBondContact O-N 3.41Å |
| 225 | E | 86.3 | Confident | 80.8 | Confident | 143 Ų | 143 | 108.4 Ų | 108.4 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 174.3 | -171.4 | -179.6 | 179.5 | 0 | 0 | 111.8 | T221 R228 R229 | T221-E225 WeakPolarHBondContact O-CB 3.49Å; T221-E225 PolarHBondContact O-N 2.95Å; E225-R228 PolarHBondContact O-N 2.92Å; E225-R229 WeakPolarHBondContact O-CB 3.49Å; E225-R229 PolarHBondContact O-N 3.43Å |
| 226 | Q | 87.9 | Confident | 81.6 | Confident | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 173.4 | -75.1 | 169.7 | 58.3 | 0 | 0 | 111.9 | S222 L223 R228 R229 I230 | S222-Q226 VanDerWaalsContact O-CG 3.31Å; S222-Q226 WeakPolarHBondContact O-CG 3.49Å; S222-Q226 PolarHBondContact O-N 3.43Å; S222-Q226 VanDerWaalsContact O-N 3.12Å; S222-Q226 PolarHBondContact O-NE2 2.9Å; S222-Q226 PolarHBondContact OG-NE2 3.46Å; L223-Q226 PolarHBondContact O-N 3.46Å; Q226-R228 VanDerWaalsContact C-N 3.35Å; Q226-R228 PolarHBondContact O-N 3.18Å; Q226-R229 PolarHBondContact O-N 3.28Å; Q226-I230 VanDerWaalsContact O-CG1 3.25Å; Q226-I230 WeakPolarHBondContact O-CG1 3.47Å; Q226-I230 PolarHBondContact O-N 2.99Å |
| 227 | V | 90.9 | Very high | 82.7 | Confident | 63 Ų | 63 | 108.6 Ų | 108.6 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 176.8 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | L223 E224 I230 K231 | L223-V227 HydrophobicContact CD2-CG2 3.99Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.2Å; E224-V227 PolarHBondContact O-N 3.48Å; V227-I230 PolarHBondContact O-N 3.22Å; V227-K231 HydrophobicContact CG1-CD 4.43Å; V227-K231 WeakPolarHBondContact O-CG 3.27Å; V227-K231 PolarHBondContact O-N 2.95Å |
| 228 | R | 91.3 | Very high | 83.7 | Confident | 173 Ų | 173 | 104.5 Ų | 104.5 | 65% | 0.653 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | 173.7 | -178.6 | -179.4 | 173.7 | -175.4 | 0.7 | 111.1 | E224 E225 Q226 I230 K231 D232 | E224-R228 WeakPolarHBondContact O-CB 3.48Å; E224-R228 PolarHBondContact O-N 3.41Å; E225-R228 PolarHBondContact O-N 2.92Å; Q226-R228 VanDerWaalsContact C-N 3.35Å; Q226-R228 PolarHBondContact O-N 3.18Å; R228-I230 VanDerWaalsContact C-N 3.3Å; R228-I230 PolarHBondContact O-N 3.43Å; R228-K231 WeakPolarHBondContact O-CB 3.49Å; R228-K231 PolarHBondContact O-N 3.03Å; R228-K231 VanDerWaalsContact O-N 3.12Å; R228-D232 IonicContact NE-OD2 2.69Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 2.9Å |
| 229 | R | 91.1 | Very high | 84.2 | Confident | 175 Ų | 175 | 107 Ų | 107 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -37.8 | 177.7 | -176.5 | 178.1 | 176.6 | -169.1 | -1.6 | 112.4 | E225 Q226 D232 I233 | E225-R229 WeakPolarHBondContact O-CB 3.49Å; E225-R229 PolarHBondContact O-N 3.43Å; Q226-R229 PolarHBondContact O-N 3.28Å; R229-D232 PolarHBondContact O-N 2.98Å; R229-I233 HydrophobicContact CG-CD1 4.05Å; R229-I233 WeakPolarHBondContact O-CD1 3.48Å; R229-I233 VanDerWaalsContact O-CG1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.39Å; R229-I233 PolarHBondContact O-N 3.07Å |
| 230 | I | 93.3 | Very high | 85.2 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.3 | -70.9 | 163 | 0 | 0 | 0 | 110.5 | Q226 V227 R228 I233 E234 | Q226-I230 VanDerWaalsContact O-CG1 3.25Å; Q226-I230 WeakPolarHBondContact O-CG1 3.47Å; Q226-I230 PolarHBondContact O-N 2.99Å; V227-I230 PolarHBondContact O-N 3.22Å; R228-I230 VanDerWaalsContact C-N 3.3Å; R228-I230 PolarHBondContact O-N 3.43Å; I230-I233 PolarHBondContact O-N 2.87Å; I230-E234 WeakPolarHBondContact O-CB 3.35Å; I230-E234 PolarHBondContact O-N 3.33Å |
| 231 | K | 94.6 | Very high | 86.3 | Confident | 126 Ų | 126 | 109.8 Ų | 109.8 | 55% | 0.548 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -39.1 | 175.7 | -71.3 | 174 | 178.8 | -177.8 | 0 | 113.1 | V227 R228 I233 E234 A235 | V227-K231 HydrophobicContact CG1-CD 4.43Å; V227-K231 WeakPolarHBondContact O-CG 3.27Å; V227-K231 PolarHBondContact O-N 2.95Å; R228-K231 WeakPolarHBondContact O-CB 3.49Å; R228-K231 PolarHBondContact O-N 3.03Å; R228-K231 VanDerWaalsContact O-N 3.12Å; K231-I233 VanDerWaalsContact C-N 3.3Å; K231-E234 PolarHBondContact O-N 2.88Å; K231-A235 WeakPolarHBondContact O-CB 3.4Å; K231-A235 PolarHBondContact O-N 3.31Å |
| 232 | D | 92.4 | Very high | 87.5 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -36.2 | 176.3 | -65.4 | -22.3 | 0 | 0 | 0 | 110.8 | R228 R229 I236 | R228-D232 IonicContact NE-OD2 2.69Å; R228-D232 VanDerWaalsContact O-CG 3.28Å; R228-D232 PolarHBondContact O-N 2.9Å; R229-D232 PolarHBondContact O-N 2.98Å; D232-I236 WeakPolarHBondContact O-CD1 3.19Å; D232-I236 VanDerWaalsContact O-CG1 3.31Å; D232-I236 WeakPolarHBondContact O-CG1 3.45Å; D232-I236 PolarHBondContact O-N 3.1Å |
| 233 | I | 90.3 | Very high | 87.7 | Confident | 67 Ų | 67 | 114.1 Ų | 114.1 | 34% | 0.344 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.8 | -47.1 | 172.6 | -69.4 | 164.2 | 0 | 0 | 0 | 111.2 | R229 I230 K231 A235 I236 E237 | R229-I233 HydrophobicContact CG-CD1 4.05Å; R229-I233 WeakPolarHBondContact O-CD1 3.48Å; R229-I233 VanDerWaalsContact O-CG1 3.24Å; R229-I233 WeakPolarHBondContact O-CG1 3.39Å; R229-I233 PolarHBondContact O-N 3.07Å; I230-I233 PolarHBondContact O-N 2.87Å; K231-I233 VanDerWaalsContact C-N 3.3Å; I233-A235 PolarHBondContact O-N 2.93Å; I233-I236 CarbonylContact O-C 3.55Å; I233-I236 WeakPolarHBondContact O-CA 3.32Å; I233-I236 WeakPolarHBondContact O-CB 3.45Å; I233-I236 PolarHBondContact O-N 2.88Å; I233-E237 HydrophobicContact CG2-CG 4.12Å; I233-E237 VanDerWaalsContact CG2-OE1 3.27Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.29Å; I233-E237 WeakPolarHBondContact O-CG 3.4Å; I233-E237 PolarHBondContact O-N 3.43Å |
| 234 | E | 90 | Very high | 88 | Confident | 127 Ų | 127 | 117.7 Ų | 117.7 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.3 | -36.5 | 176.9 | -175.7 | 178.8 | -166.6 | 0 | 0 | 111.5 | I230 K231 E237 S238 | I230-E234 WeakPolarHBondContact O-CB 3.35Å; I230-E234 PolarHBondContact O-N 3.33Å; K231-E234 PolarHBondContact O-N 2.88Å; E234-E237 PolarHBondContact O-N 3.23Å; E234-S238 WeakPolarHBondContact O-CB 3.47Å; E234-S238 PolarHBondContact O-N 3.29Å |
| 235 | A | 89.8 | Confident | 88 | Confident | 55 Ų | 55 | 115.2 Ų | 115.2 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.1 | -35 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | K231 I233 S238 | K231-A235 WeakPolarHBondContact O-CB 3.4Å; K231-A235 PolarHBondContact O-N 3.31Å; I233-A235 PolarHBondContact O-N 2.93Å; A235-S238 PolarHBondContact O-OG 3Å |
| 236 | I | 86 | Confident | 87.3 | Confident | 95 Ų | 95 | 118 Ų | 118 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.4 | -34.6 | 175.5 | -66.2 | 163.1 | 0 | 0 | 0 | 111.6 | D232 I233 S238 F241 | D232-I236 WeakPolarHBondContact O-CD1 3.19Å; D232-I236 VanDerWaalsContact O-CG1 3.31Å; D232-I236 WeakPolarHBondContact O-CG1 3.45Å; D232-I236 PolarHBondContact O-N 3.1Å; I233-I236 CarbonylContact O-C 3.55Å; I233-I236 WeakPolarHBondContact O-CA 3.32Å; I233-I236 WeakPolarHBondContact O-CB 3.45Å; I233-I236 PolarHBondContact O-N 2.88Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-F241 HydrophobicContact CB-CG 4.47Å; I236-F241 HydrophobicContact CG1-CD2 4.24Å; I236-F241 HydrophobicContact CG1-CE2 4.17Å; I236-F241 HydrophobicContact CG1-CZ 4.42Å; I236-F241 HydrophobicContact CG2-CD1 3.99Å; I236-F241 HydrophobicContact CG2-CE1 4.1Å; I236-F241 HydrophobicContact CG2-CG 4.37Å; I236-F241 WeakPolarHBondContact O-CB 3.37Å |
| 237 | E | 88.4 | Confident | 86.8 | Confident | 156 Ų | 156 | 122.6 Ų | 122.6 | 73% | 0.729 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.8 | -17.3 | 176.4 | -69.3 | 178.9 | -178.4 | 0 | 0 | 112.5 | I233 E234 | I233-E237 HydrophobicContact CG2-CG 4.12Å; I233-E237 VanDerWaalsContact CG2-OE1 3.27Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.29Å; I233-E237 WeakPolarHBondContact O-CG 3.4Å; I233-E237 PolarHBondContact O-N 3.43Å; E234-E237 PolarHBondContact O-N 3.23Å |
| 238 | S | 86.9 | Confident | 85.8 | Confident | 54 Ų | 54 | 124.3 Ų | 124.3 | 38% | 0.378 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -67.2 | 136.9 | 171.7 | 81.3 | 0 | 0 | 0 | 0 | 111.3 | E234 A235 I236 S240 F241 | E234-S238 WeakPolarHBondContact O-CB 3.47Å; E234-S238 PolarHBondContact O-N 3.29Å; A235-S238 PolarHBondContact O-OG 3Å; I236-S238 VanDerWaalsContact C-N 3.33Å; S238-S240 PolarHBondContact O-N 3.39Å; S238-F241 PolarHBondContact O-N 3.49Å |
| 239 | D | 78.9 | Confident | 84.5 | Confident | 176 Ų | 176 | 121.6 Ų | 121.6 | 94% | 0.941 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 5.2 | -175.9 | -158.1 | 36 | 0 | 0 | 0 | 114.5 | ||
| 240 | S | 87 | Confident | 82.7 | Confident | 108 Ų | 108 | 123.9 Ų | 123.9 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -10.5 | 172.1 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | S238 V242 | S238-S240 PolarHBondContact O-N 3.39Å; S240-V242 PolarHBondContact O-N 3.38Å |
| 241 | F | 86 | Confident | 80.4 | Confident | 106 Ų | 106 | 125.5 Ų | 125.5 | 47% | 0.465 | 67% | 0.666 | S | S | . | * | trans | -79.9 | 109.9 | 178.6 | -174.6 | -97.5 | 0 | 0 | 0 | 111.4 | I236 S238 P243 | I236-F241 HydrophobicContact CB-CG 4.47Å; I236-F241 HydrophobicContact CG1-CD2 4.24Å; I236-F241 HydrophobicContact CG1-CE2 4.17Å; I236-F241 HydrophobicContact CG1-CZ 4.42Å; I236-F241 HydrophobicContact CG2-CD1 3.99Å; I236-F241 HydrophobicContact CG2-CE1 4.1Å; I236-F241 HydrophobicContact CG2-CG 4.37Å; I236-F241 WeakPolarHBondContact O-CB 3.37Å; S238-F241 PolarHBondContact O-N 3.49Å; F241-P243 HydrophobicContact CD1-CG 4.32Å; F241-P243 HydrophobicContact CE1-CB 4.45Å; F241-P243 HydrophobicContact CE1-CG 4.22Å; F241-P243 WeakPolarHBondContact O-CD 3.17Å | ||
| 242 | V | 85.9 | Confident | 78.4 | Confident | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | trans | -95.3 | 114 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | S240 Q244 | S240-V242 PolarHBondContact O-N 3.38Å; V242-Q244 PolarHBondContact O-N 3.15Å | ||
| 243 | P | 83.2 | Confident | 76.1 | Confident | 102 Ų | 102 | 129.3 Ų | 129.3 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 112.5 | 179.2 | -22.8 | 34.3 | 0 | 0 | 0 | 111.5 | F241 A245 | F241-P243 HydrophobicContact CD1-CG 4.32Å; F241-P243 HydrophobicContact CE1-CB 4.45Å; F241-P243 HydrophobicContact CE1-CG 4.22Å; F241-P243 WeakPolarHBondContact O-CD 3.17Å; P243-A245 PolarHBondContact O-N 3.02Å; P243-A245 VanDerWaalsContact O-N 3.1Å | ||
| 244 | Q | 84.8 | Confident | 74.2 | Confident | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -75.8 | 101.6 | 178.2 | -172.9 | 173.4 | -4 | 0 | 0 | 110.4 | V242 F246 | V242-Q244 PolarHBondContact O-N 3.15Å; Q244-F246 PolarHBondContact O-N 2.92Å | ||
| 245 | A | 81.9 | Confident | 71.9 | Confident | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | -61.1 | 134.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P243 K247 | P243-A245 PolarHBondContact O-N 3.02Å; P243-A245 VanDerWaalsContact O-N 3.1Å; A245-K247 PolarHBondContact O-N 3.5Å; A245-K247 VanDerWaalsContact O-N 3.11Å | ||
| 246 | F | 73.4 | Confident | 69.3 | Low | 203 Ų | 203 | 139.5 Ų | 139.5 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -60.5 | 116.1 | 172.7 | -75.8 | -90 | 0 | 0 | 0 | 109.6 | Q244 S248 | Q244-F246 PolarHBondContact O-N 2.92Å; F246-S248 PolarHBondContact O-N 3.08Å | ||
| 247 | K | 77.1 | Confident | 67.3 | Low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -71 | 84.5 | 166.5 | -70.8 | -165.4 | 171.3 | -170.3 | 0 | 108.8 | A245 S249 | A245-K247 PolarHBondContact O-N 3.5Å; A245-K247 VanDerWaalsContact O-N 3.11Å; K247-S249 PolarHBondContact O-N 2.96Å | ||
| 248 | S | 68.8 | Low | 64.7 | Low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 114.6 | 174.4 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | F246 R250 | F246-S248 PolarHBondContact O-N 3.08Å; S248-R250 PolarHBondContact O-N 3.29Å | ||
| 249 | S | 64.4 | Low | 62.2 | Low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 59.6 | 173.7 | 61.7 | 0 | 0 | 0 | 0 | 111 | K247 | K247-S249 PolarHBondContact O-N 2.96Š| ||
| 250 | R | 53.7 | Low | 59.8 | Low | 224 Ų | 224 | 144.2 Ų | 144.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -108.7 | 97.2 | 173.4 | -168.4 | 135.7 | 77.8 | 103.6 | -1 | 108.6 | S248 | S248-R250 PolarHBondContact O-N 3.29Š| ||
| 251 | D | 45.2 | Very low | 57.2 | Low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -58.1 | 136.6 | -172.5 | -56.8 | -77 | 0 | 0 | 0 | 113.2 | T253 | D251-T253 PolarHBondContact O-N 3.37Š| ||
| 252 | D | 52 | Low | 54.6 | Low | 157 Ų | 157 | 148.6 Ų | 148.6 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 109.4 | 172.9 | -84.8 | -61.9 | 0 | 0 | 0 | 110.9 | ||||
| 253 | T | 43.2 | Very low | 51.8 | Low | 134 Ų | 134 | 150.5 Ų | 150.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -127.8 | 82.5 | 162.7 | 26.3 | 0 | 0 | 0 | 0 | 111 | D251 | D251-T253 PolarHBondContact O-N 3.37Š| ||
| 254 | K | 51.6 | Low | 49.6 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 146.6 | 143.2 | -65.9 | 172.4 | -179.7 | 168.5 | 0 | 105.8 | ||||
| 255 | V | 42.3 | Very low | 47.6 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | cis | -153.5 | 150.4 | 39.6 | -155.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | V | 34.9 | Very low | 45.3 | Very low | 138 Ų | 138 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 178.3 | 135 | 128.8 | 151.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 257 | A | 43.7 | Very low | 43.6 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 140.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 258 | A | 34.3 | Very low | 41.9 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -138.5 | 128.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 259 | Q | 34.3 | Very low | 40.6 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 161.1 | -174.7 | -58 | 172.8 | -24.9 | 0 | 0 | 112 | ||||
| 260 | K | 27.7 | Very low | 40 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 170 | 114.1 | 111.1 | -173.8 | 171.5 | -172.9 | 178.6 | 0 | 113.4 | |||||
| 261 | K | 33.1 | Very low | 39.7 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 56.7 | 120.1 | 150.7 | -66.9 | -166.9 | 174.7 | -153.3 | 0 | 118.7 | ||||
| 262 | Q | 30.5 | Very low | 40.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | 98 | 133.6 | 57.6 | 177.5 | -177.9 | 0 | 0 | 0 | 110.9 | |||||
| 263 | E | 27.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 66.3 | 151.2 | 171.7 | -79.4 | 151.6 | -144.2 | 0 | 0 | 117 | ||||
| 264 | S | 36.1 | Very low | 41.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -156.1 | 161.5 | -8.4 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 265 | E | 44.1 | Very low | 42.7 | Very low | 196 Ų | 196 | 135.2 Ų | 135.2 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -57.7 | 126.8 | 160.9 | 176.8 | -179.5 | -144.6 | 0 | 0 | 111.4 | ||||
| 266 | S | 33.1 | Very low | 43.8 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -163.3 | 137.1 | 159.1 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 267 | G | 37.5 | Very low | 45.7 | Very low | 55 Ų | 55 | 135.3 Ų | 135.3 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 177 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | S269 | G267-S269 PolarHBondContact O-N 3.43Š| ||
| 268 | P | 42.3 | Very low | 47.1 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -68.8 | 98.3 | 178.8 | 28.8 | -34.2 | 0 | 0 | 0 | 110.8 | Q270 | P268-Q270 PolarHBondContact O-N 3.47Å; P268-Q270 VanDerWaalsContact O-N 3.16Å | ||
| 269 | S | 40.2 | Very low | 49.1 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | -56.6 | 115.4 | 167.3 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | G267 D271 | G267-S269 PolarHBondContact O-N 3.43Å; S269-D271 PolarHBondContact O-N 2.64Å | ||
| 270 | Q | 53.4 | Low | 50.9 | Low | 137 Ų | 137 | 135.7 Ų | 135.7 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | trans | -73.7 | 96.9 | 169.3 | -70 | -169.6 | 21.6 | 0 | 0 | 108.7 | P268 Y272 | P268-Q270 PolarHBondContact O-N 3.47Å; P268-Q270 VanDerWaalsContact O-N 3.16Å; Q270-Y272 HydrophobicContact CB-CD1 4.08Å; Q270-Y272 HydrophobicContact CB-CE1 3.56Å; Q270-Y272 HydrophobicContact CB-CE2 4.25Å; Q270-Y272 HydrophobicContact CG-CE1 4.41Å; Q270-Y272 WeakPolarHBondContact O-CD2 3.37Å; Q270-Y272 WeakPolarHBondContact O-CE2 3.37Å; Q270-Y272 PolarHBondContact O-N 2.9Å | ||
| 271 | D | 47.1 | Very low | 52.9 | Low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | -71 | 95.9 | 161.9 | -83.6 | -22.8 | 0 | 0 | 0 | 108.5 | S269 S273 | S269-D271 PolarHBondContact O-N 2.64Å; D271-S273 PolarHBondContact O-N 3.04Å | ||
| 272 | Y | 55.4 | Low | 54.3 | Low | 187 Ų | 187 | 132.7 Ų | 132.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 47.2 | 173.1 | -34.6 | -91.3 | 0 | 0 | 0 | 111.8 | Q270 L274 | Q270-Y272 HydrophobicContact CB-CD1 4.08Å; Q270-Y272 HydrophobicContact CB-CE1 3.56Å; Q270-Y272 HydrophobicContact CB-CE2 4.25Å; Q270-Y272 HydrophobicContact CG-CE1 4.41Å; Q270-Y272 WeakPolarHBondContact O-CD2 3.37Å; Q270-Y272 WeakPolarHBondContact O-CE2 3.37Å; Q270-Y272 PolarHBondContact O-N 2.9Å; Y272-L274 PolarHBondContact O-N 2.9Å | ||
| 273 | S | 62.2 | Low | 55.9 | Low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -69.7 | 87.6 | 169.7 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | D271 | D271-S273 PolarHBondContact O-N 3.04Š| ||
| 274 | L | 65.9 | Low | 57.5 | Low | 143 Ų | 143 | 126 Ų | 126 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -53.8 | 123.3 | 176.4 | -71.8 | 168.8 | 0 | 0 | 0 | 108.3 | Y272 M276 | Y272-L274 PolarHBondContact O-N 2.9Å; L274-M276 PolarHBondContact O-N 3.24Å | ||
| 275 | P | 70.3 | Confident | 58.9 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -62.6 | 105.9 | -175.4 | 23.3 | -32.8 | 0 | 0 | 0 | 109.9 | S277 | P275-S277 PolarHBondContact O-N 2.91Å; P275-S277 VanDerWaalsContact O-N 3.11Å | ||
| 276 | M | 65.9 | Low | 60.2 | Low | 199 Ų | 199 | 124.1 Ų | 124.1 | 98% | 0.98 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -67.9 | -8.3 | -177.7 | -67.2 | -176.3 | 68 | 0 | 0 | 113.2 | L274 | L274-M276 PolarHBondContact O-N 3.24Š|
| 277 | S | 74.3 | Confident | 61.9 | Low | 78 Ų | 78 | 120.9 Ų | 120.9 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -127.5 | 132.9 | 171.5 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | P275 V279 | P275-S277 PolarHBondContact O-N 2.91Å; P275-S277 VanDerWaalsContact O-N 3.11Å; S277-V279 PolarHBondContact O-N 3.28Å; S277-V279 VanDerWaalsContact O-N 3.12Å |
| 278 | I | 74.6 | Confident | 63.6 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 65% | 0.651 | 70% | 0.696 | S | S | * | * | trans | -74.9 | 102.1 | 168.7 | -58 | 172.7 | 0 | 0 | 0 | 106.8 | Y280 | I278-Y280 HydrophobicContact CB-CD2 4.48Å; I278-Y280 HydrophobicContact CB-CE2 3.92Å; I278-Y280 HydrophobicContact CG2-CD1 4.26Å; I278-Y280 HydrophobicContact CG2-CD2 3.98Å; I278-Y280 HydrophobicContact CG2-CE1 3.91Å; I278-Y280 HydrophobicContact CG2-CE2 3.6Å; I278-Y280 HydrophobicContact CG2-CG 4.29Å; I278-Y280 WeakPolarHBondContact O-CD2 3.4Å; I278-Y280 PolarHBondContact O-N 3.21Å | ||
| 279 | V | 76.1 | Confident | 65.1 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | trans | -74 | 109.9 | 166.5 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | S277 | S277-V279 PolarHBondContact O-N 3.28Å; S277-V279 VanDerWaalsContact O-N 3.12Å | ||
| 280 | Y | 70.6 | Confident | 66.6 | Low | 160 Ų | 160 | 120.9 Ų | 120.9 | 63% | 0.627 | 67% | 0.672 | S | S | * | * | trans | -82.8 | 119.3 | 170.1 | -65 | -89.7 | 0 | 0 | 0 | 108.1 | I278 D282 | I278-Y280 HydrophobicContact CB-CD2 4.48Å; I278-Y280 HydrophobicContact CB-CE2 3.92Å; I278-Y280 HydrophobicContact CG2-CD1 4.26Å; I278-Y280 HydrophobicContact CG2-CD2 3.98Å; I278-Y280 HydrophobicContact CG2-CE1 3.91Å; I278-Y280 HydrophobicContact CG2-CE2 3.6Å; I278-Y280 HydrophobicContact CG2-CG 4.29Å; I278-Y280 WeakPolarHBondContact O-CD2 3.4Å; I278-Y280 PolarHBondContact O-N 3.21Å; Y280-D282 PolarHBondContact O-N 2.81Å | ||
| 281 | D | 70.4 | Confident | 67.4 | Low | 145 Ų | 145 | 120.5 Ų | 120.5 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | -70.7 | 76.3 | 167.5 | -86.2 | -33.1 | 0 | 0 | 0 | 109.7 | S283 | D281-S283 PolarHBondContact O-N 3.4Å; D281-S283 PolarHBondContact O-OG 3.4Å | ||
| 282 | D | 61.8 | Low | 68.7 | Low | 147 Ų | 147 | 120.2 Ų | 120.2 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | -69.9 | 36.9 | 175.4 | -78.8 | -15.9 | 0 | 0 | 0 | 112.3 | Y280 G284 | Y280-D282 PolarHBondContact O-N 2.81Å; D282-G284 PolarHBondContact O-N 3.23Å | ||
| 283 | S | 64.9 | Low | 69.9 | Low | 86 Ų | 86 | 114.6 Ų | 114.6 | 60% | 0.601 | 65% | 0.647 | S | S | * | * | trans | -63 | 16 | 175.8 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | D281 T285 | D281-S283 PolarHBondContact O-N 3.4Å; D281-S283 PolarHBondContact O-OG 3.4Å; S283-T285 PolarHBondContact O-N 3.25Å; S283-T285 PolarHBondContact O-OG1 3.09Å | ||
| 284 | G | 61 | Low | 71 | Confident | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 65.9 | -8.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D282 L286 | D282-G284 PolarHBondContact O-N 3.23Å; G284-L286 PolarHBondContact O-N 3.15Å |
| 285 | T | 65.3 | Low | 72.1 | Confident | 77 Ų | 77 | 115.3 Ų | 115.3 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | trans | -106.6 | 69.1 | -161.1 | -50.9 | 0 | 0 | 0 | 0 | 110.1 | S283 A287 F292 | S283-T285 PolarHBondContact O-N 3.25Å; S283-T285 PolarHBondContact O-OG1 3.09Å; T285-A287 VanDerWaalsContact CG2-O 3.23Å; T285-A287 WeakPolarHBondContact CG2-O 3.47Å; T285-A287 PolarHBondContact O-N 2.86Å; T285-F292 HydrophobicContact CG2-CE2 4.2Å | ||
| 286 | L | 70.8 | Confident | 72.9 | Confident | 185 Ų | 185 | 117.1 Ų | 117.1 | 97% | 0.969 | 64% | 0.635 | S | S | * | * | trans | -57.8 | -7.8 | 179.4 | -73.4 | 169.2 | 0 | 0 | 0 | 115.2 | G284 | G284-L286 PolarHBondContact O-N 3.15Š| ||
| 287 | A | 70.7 | Confident | 74 | Confident | 30 Ų | 30 | 110.3 Ų | 110.3 | 25% | 0.248 | 61% | 0.605 | C | S | . | * | S | Bend | trans | -135.1 | 134.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | T285 L291 F292 | T285-A287 VanDerWaalsContact CG2-O 3.23Å; T285-A287 WeakPolarHBondContact CG2-O 3.47Å; T285-A287 PolarHBondContact O-N 2.86Å; A287-L291 HydrophobicContact CB-CB 4.37Å; A287-L291 HydrophobicContact CB-CD1 3.83Å; A287-F292 HydrophobicContact CB-CE2 3.78Å; A287-F292 HydrophobicContact CB-CZ 4Å; A287-F292 WeakPolarHBondContact O-CE2 3.34Å |
| 288 | H | 73.1 | Confident | 74.6 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 60% | 0.602 | 60% | 0.597 | S | S | * | * | trans | -50.4 | 138.2 | 179 | -168.5 | -98.4 | 0 | 0 | 0 | 111 | S290 L291 | H288-S290 PolarHBondContact ND1-OG 3.32Å; H288-S290 PolarHBondContact O-N 3.48Å; H288-L291 VanDerWaalsContact O-CB 3.31Å; H288-L291 WeakPolarHBondContact O-CB 3.46Å; H288-L291 PolarHBondContact O-N 3.2Å | ||
| 289 | P | 72.9 | Confident | 75.3 | Confident | 85 Ų | 85 | 106.9 Ų | 106.9 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -55.7 | -27.5 | -172.2 | 18 | -32.1 | 0 | 0 | 0 | 114.2 | L291 F292 | P289-L291 PolarHBondContact O-N 2.98Å; P289-L291 VanDerWaalsContact O-N 3.13Å; P289-F292 PolarHBondContact O-N 3.11Å |
| 290 | S | 71.8 | Confident | 76.2 | Confident | 65 Ų | 65 | 106 Ų | 106 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -60.2 | -18.3 | 172.4 | 67.4 | 0 | 0 | 0 | 0 | 114.9 | H288 | H288-S290 PolarHBondContact ND1-OG 3.32Å; H288-S290 PolarHBondContact O-N 3.48Å |
| 291 | L | 70.9 | Confident | 77.2 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -83.2 | -14.2 | 175.5 | -64.9 | 171.3 | 0 | 0 | 0 | 112.9 | A287 H288 P289 | A287-L291 HydrophobicContact CB-CB 4.37Å; A287-L291 HydrophobicContact CB-CD1 3.83Å; H288-L291 VanDerWaalsContact O-CB 3.31Å; H288-L291 WeakPolarHBondContact O-CB 3.46Å; H288-L291 PolarHBondContact O-N 3.2Å; P289-L291 PolarHBondContact O-N 2.98Å; P289-L291 VanDerWaalsContact O-N 3.13Å |
| 292 | F | 74.1 | Confident | 78.3 | Confident | 144 Ų | 144 | 104.4 Ų | 104.4 | 63% | 0.632 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -100.2 | 4.7 | 172.5 | -62 | -74 | 0 | 0 | 0 | 112.7 | T285 A287 P289 | T285-F292 HydrophobicContact CG2-CE2 4.2Å; A287-F292 HydrophobicContact CB-CE2 3.78Å; A287-F292 HydrophobicContact CB-CZ 4Å; A287-F292 WeakPolarHBondContact O-CE2 3.34Å; P289-F292 PolarHBondContact O-N 3.11Å |
| 293 | M | 80.4 | Confident | 79.9 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 35% | 0.345 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -71.8 | 133.9 | 174.4 | -71.2 | -170.6 | 67.7 | 0 | 0 | 110.9 | T297 L301 | M293-T297 VanDerWaalsContact CE-OG1 3.31Å; M293-T297 WeakPolarHBondContact CE-OG1 3.35Å; M293-L301 HydrophobicContact CE-CD1 3.54Å; M293-L301 HydrophobicContact CE-CG 4.13Å; M293-L301 HydrophobicContact SD-CD1 4.1Å |
| 294 | D | 85.3 | Confident | 81.3 | Confident | 122 Ų | 122 | 100.4 Ų | 100.4 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | trans | -62.6 | 144.7 | 171.8 | -75.8 | -47.9 | 0 | 0 | 0 | 110.2 | E296 T297 A298 | D294-E296 PolarHBondContact O-N 2.93Å; D294-E296 VanDerWaalsContact O-N 3.11Å; D294-T297 HydrophobicContact CB-CG2 4.33Å; D294-T297 PolarHBondContact N-OG1 3.45Å; D294-T297 PolarHBondContact O-N 2.69Å; D294-T297 PolarHBondContact O-OG1 2.84Å; D294-A298 PolarHBondContact O-N 3.05Å | ||
| 295 | K | 88.1 | Confident | 82.9 | Confident | 142 Ų | 142 | 105.7 Ų | 105.7 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -51.7 | -40.6 | -174.9 | 179.8 | 179.7 | 173.6 | -70.6 | 0 | 112.7 | A298 E299 | K295-A298 PolarHBondContact O-N 3.36Å; K295-E299 WeakPolarHBondContact CE-OE1 3.29Å; K295-E299 IonicContact NZ-OE1 2.64Å; K295-E299 PolarHBondContact NZ-OE1 3.45Å; K295-E299 IonicContact NZ-OE2 2.75Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.38Å; K295-E299 PolarHBondContact O-N 3.13Å |
| 296 | E | 87.5 | Confident | 84.4 | Confident | 149 Ų | 149 | 104.1 Ų | 104.1 | 70% | 0.696 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -51.1 | 179.1 | -67.1 | 167.1 | -170 | 0 | 0 | 110.3 | D294 A298 E299 D300 | D294-E296 PolarHBondContact O-N 2.93Å; D294-E296 VanDerWaalsContact O-N 3.11Å; E296-A298 VanDerWaalsContact C-N 3.27Å; E296-A298 PolarHBondContact O-N 2.97Å; E296-E299 CarbonylContact O-C 3.56Å; E296-E299 WeakPolarHBondContact O-CA 3.42Å; E296-E299 PolarHBondContact O-N 3.08Å; E296-D300 PolarHBondContact O-N 3.26Å |
| 297 | T | 88.3 | Confident | 85.5 | Confident | 57 Ų | 57 | 98.8 Ų | 98.8 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | M293 D294 L301 | M293-T297 VanDerWaalsContact CE-OG1 3.31Å; M293-T297 WeakPolarHBondContact CE-OG1 3.35Å; D294-T297 HydrophobicContact CB-CG2 4.33Å; D294-T297 PolarHBondContact N-OG1 3.45Å; D294-T297 PolarHBondContact O-N 2.69Å; D294-T297 PolarHBondContact O-OG1 2.84Å; T297-L301 WeakPolarHBondContact O-CG 3.42Å; T297-L301 PolarHBondContact O-N 2.91Å |
| 298 | A | 87.7 | Confident | 86.6 | Confident | 46 Ų | 46 | 100.1 Ų | 100.1 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.1 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D294 K295 E296 W302 | D294-A298 PolarHBondContact O-N 3.05Å; K295-A298 PolarHBondContact O-N 3.36Å; E296-A298 VanDerWaalsContact C-N 3.27Å; E296-A298 PolarHBondContact O-N 2.97Å; A298-W302 WeakPolarHBondContact O-CB 3.18Å; A298-W302 PolarHBondContact O-N 3.44Å; A298-W302 VanDerWaalsContact O-N 3.14Å |
| 299 | E | 90.1 | Very high | 87.5 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 172.4 | -74.5 | 174.9 | 158.1 | 0 | 0 | 110.9 | K295 E296 W302 L303 | K295-E299 WeakPolarHBondContact CE-OE1 3.29Å; K295-E299 IonicContact NZ-OE1 2.64Å; K295-E299 PolarHBondContact NZ-OE1 3.45Å; K295-E299 IonicContact NZ-OE2 2.75Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.38Å; K295-E299 PolarHBondContact O-N 3.13Å; E296-E299 CarbonylContact O-C 3.56Å; E296-E299 WeakPolarHBondContact O-CA 3.42Å; E296-E299 PolarHBondContact O-N 3.08Å; E299-W302 PolarHBondContact O-N 2.85Å; E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 VanDerWaalsContact O-CG 3.27Å; E299-L303 WeakPolarHBondContact O-CG 3.35Å; E299-L303 PolarHBondContact O-N 3.22Å |
| 300 | D | 93.5 | Very high | 88.5 | Confident | 99 Ų | 99 | 101 Ų | 101 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 176.9 | -68.2 | -30 | 0 | 0 | 0 | 112.8 | E296 W302 L303 S304 | E296-D300 PolarHBondContact O-N 3.26Å; D300-W302 VanDerWaalsContact C-N 3.28Å; D300-W302 PolarHBondContact O-N 3.4Å; D300-L303 PolarHBondContact O-N 3.03Å; D300-S304 VanDerWaalsContact O-CB 3.27Å; D300-S304 WeakPolarHBondContact O-CB 3.47Å; D300-S304 PolarHBondContact O-N 3.44Å |
| 301 | L | 92.6 | Very high | 89.4 | Confident | 108 Ų | 108 | 104 Ų | 104 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -36.9 | 174.3 | -74.9 | -167 | 0 | 0 | 0 | 112.2 | M293 T297 R305 | M293-L301 HydrophobicContact CE-CD1 3.54Å; M293-L301 HydrophobicContact CE-CG 4.13Å; M293-L301 HydrophobicContact SD-CD1 4.1Å; T297-L301 WeakPolarHBondContact O-CG 3.42Å; T297-L301 PolarHBondContact O-N 2.91Å; L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 PolarHBondContact O-N 2.89Å |
| 302 | W | 93.6 | Very high | 90.1 | Very high | 165 Ų | 165 | 101.3 Ų | 101.3 | 63% | 0.625 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.5 | -43.2 | 176.4 | 179 | 76.7 | 0 | 0 | 0 | 111.9 | A298 E299 D300 R305 L306 | A298-W302 WeakPolarHBondContact O-CB 3.18Å; A298-W302 PolarHBondContact O-N 3.44Å; A298-W302 VanDerWaalsContact O-N 3.14Å; E299-W302 PolarHBondContact O-N 2.85Å; D300-W302 VanDerWaalsContact C-N 3.28Å; D300-W302 PolarHBondContact O-N 3.4Å; W302-R305 PolarHBondContact O-N 2.83Å; W302-L306 HydrophobicContact CH2-CD1 3.56Å; W302-L306 HydrophobicContact CZ2-CD1 3.45Å; W302-L306 VanDerWaalsContact CZ2-CD1 3.45Å; W302-L306 HydrophobicContact CZ3-CD1 4.14Å; W302-L306 WeakPolarHBondContact O-CB 3.32Å; W302-L306 PolarHBondContact O-N 3.01Å |
| 303 | L | 95.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 103.2 Ų | 103.2 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.9 | -74.1 | 170.9 | 0 | 0 | 0 | 111.7 | E299 D300 L306 N307 | E299-L303 WeakPolarHBondContact O-CB 3.36Å; E299-L303 VanDerWaalsContact O-CG 3.27Å; E299-L303 WeakPolarHBondContact O-CG 3.35Å; E299-L303 PolarHBondContact O-N 3.22Å; D300-L303 PolarHBondContact O-N 3.03Å; L303-L306 PolarHBondContact O-N 3.37Å; L303-N307 WeakPolarHBondContact O-CB 3.31Å; L303-N307 VanDerWaalsContact O-CG 3.28Å; L303-N307 PolarHBondContact O-N 3.47Å; L303-N307 PolarHBondContact O-ND2 3.02Å |
| 304 | S | 94.9 | Very high | 91 | Very high | 68 Ų | 68 | 107 Ų | 107 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -53.6 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | D300 L306 N307 S308 | D300-S304 VanDerWaalsContact O-CB 3.27Å; D300-S304 WeakPolarHBondContact O-CB 3.47Å; D300-S304 PolarHBondContact O-N 3.44Å; S304-L306 VanDerWaalsContact C-N 3.31Å; S304-L306 PolarHBondContact O-N 2.82Å; S304-N307 PolarHBondContact O-N 3.38Å; S304-N307 VanDerWaalsContact O-N 3.1Å; S304-S308 PolarHBondContact O-N 3.44Å; S304-S308 PolarHBondContact O-OG 2.94Å |
| 305 | R | 94.6 | Very high | 91 | Very high | 183 Ų | 183 | 108.3 Ų | 108.3 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 177.4 | -174.9 | 166.8 | -176.3 | 147.4 | 3.4 | 113.1 | L301 W302 S308 L309 | L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 PolarHBondContact O-N 2.89Å; W302-R305 PolarHBondContact O-N 2.83Å; R305-S308 PolarHBondContact O-N 2.86Å; R305-L309 HydrophobicContact CG-CD1 4.35Å; R305-L309 VanDerWaalsContact O-CG 3.31Å; R305-L309 WeakPolarHBondContact O-CG 3.15Å; R305-L309 PolarHBondContact O-N 3.47Å |
| 306 | L | 95.2 | Very high | 90.3 | Very high | 43 Ų | 43 | 104.4 Ų | 104.4 | 23% | 0.225 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 176.8 | -171.1 | 155.7 | 0 | 0 | 0 | 111.5 | W302 L303 S304 R310 | W302-L306 HydrophobicContact CH2-CD1 3.56Å; W302-L306 HydrophobicContact CZ2-CD1 3.45Å; W302-L306 VanDerWaalsContact CZ2-CD1 3.45Å; W302-L306 HydrophobicContact CZ3-CD1 4.14Å; W302-L306 WeakPolarHBondContact O-CB 3.32Å; W302-L306 PolarHBondContact O-N 3.01Å; L303-L306 PolarHBondContact O-N 3.37Å; S304-L306 VanDerWaalsContact C-N 3.31Å; S304-L306 PolarHBondContact O-N 2.82Å; L306-R310 HydrophobicContact CD2-CG 4.41Å; L306-R310 WeakPolarHBondContact O-CG 3.5Å; L306-R310 PolarHBondContact O-N 3.31Å |
| 307 | N | 94.6 | Very high | 89.3 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 172.7 | -71.4 | -21.7 | 0 | 0 | 0 | 111.7 | L303 S304 L309 R310 Q311 | L303-N307 WeakPolarHBondContact O-CB 3.31Å; L303-N307 VanDerWaalsContact O-CG 3.28Å; L303-N307 PolarHBondContact O-N 3.47Å; L303-N307 PolarHBondContact O-ND2 3.02Å; S304-N307 PolarHBondContact O-N 3.38Å; S304-N307 VanDerWaalsContact O-N 3.1Å; N307-L309 PolarHBondContact O-N 3.27Å; N307-R310 WeakPolarHBondContact O-CB 3.27Å; N307-R310 PolarHBondContact O-N 2.81Å; N307-R310 VanDerWaalsContact O-N 3.12Å; N307-R310 PolarHBondContact OD1-NH1 3.09Å; N307-Q311 WeakPolarHBondContact O-CG 3.25Å; N307-Q311 PolarHBondContact O-N 3.5Å |
| 308 | S | 94.3 | Very high | 88 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 171.7 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | S304 R305 R310 Q311 E312 | S304-S308 PolarHBondContact O-N 3.44Å; S304-S308 PolarHBondContact O-OG 2.94Å; R305-S308 PolarHBondContact O-N 2.86Å; S308-R310 VanDerWaalsContact C-N 3.27Å; S308-R310 PolarHBondContact O-N 3.3Å; S308-Q311 PolarHBondContact O-N 2.95Å; S308-E312 VanDerWaalsContact O-CB 3.27Å; S308-E312 WeakPolarHBondContact O-CB 3.47Å; S308-E312 PolarHBondContact O-N 3.15Å |
| 309 | L | 92.4 | Very high | 86.4 | Confident | 76 Ų | 76 | 104.7 Ų | 104.7 | 40% | 0.398 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -27.8 | 176.2 | -72.6 | 168.6 | 0 | 0 | 0 | 113.4 | R305 N307 R313 | R305-L309 HydrophobicContact CG-CD1 4.35Å; R305-L309 VanDerWaalsContact O-CG 3.31Å; R305-L309 WeakPolarHBondContact O-CG 3.15Å; R305-L309 PolarHBondContact O-N 3.47Å; N307-L309 PolarHBondContact O-N 3.27Å; L309-R313 WeakPolarHBondContact O-CB 3.35Å; L309-R313 VanDerWaalsContact O-CG 3.28Å; L309-R313 WeakPolarHBondContact O-CG 3.48Å; L309-R313 PolarHBondContact O-N 3.4Å |
| 310 | R | 93.1 | Very high | 84.3 | Confident | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.3 | -43.5 | 172.1 | -76.3 | 171.3 | 172.7 | 162.6 | -4.3 | 111.7 | L306 N307 S308 R313 L314 | L306-R310 HydrophobicContact CD2-CG 4.41Å; L306-R310 WeakPolarHBondContact O-CG 3.5Å; L306-R310 PolarHBondContact O-N 3.31Å; N307-R310 WeakPolarHBondContact O-CB 3.27Å; N307-R310 PolarHBondContact O-N 2.81Å; N307-R310 VanDerWaalsContact O-N 3.12Å; N307-R310 PolarHBondContact OD1-NH1 3.09Å; S308-R310 VanDerWaalsContact C-N 3.27Å; S308-R310 PolarHBondContact O-N 3.3Å; R310-R313 PolarHBondContact O-N 3.18Å; R310-L314 WeakPolarHBondContact O-CB 3.31Å; R310-L314 PolarHBondContact O-N 3.13Å |
| 311 | Q | 90.6 | Very high | 83.8 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 59% | 0.593 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -48 | 174.6 | -72.9 | 171.8 | -24.4 | 0 | 0 | 110.2 | N307 S308 R313 L314 M315 | N307-Q311 WeakPolarHBondContact O-CG 3.25Å; N307-Q311 PolarHBondContact O-N 3.5Å; S308-Q311 PolarHBondContact O-N 2.95Å; Q311-R313 VanDerWaalsContact C-N 3.34Å; Q311-R313 PolarHBondContact O-N 3.31Å; Q311-L314 CarbonylContact O-C 3.59Å; Q311-L314 WeakPolarHBondContact O-CA 3.26Å; Q311-L314 WeakPolarHBondContact O-CB 3.47Å; Q311-L314 PolarHBondContact O-N 3.15Å; Q311-M315 VanDerWaalsContact O-CG 3.29Å; Q311-M315 WeakPolarHBondContact O-CG 3.26Å; Q311-M315 PolarHBondContact O-N 3.02Å |
| 312 | E | 85.9 | Confident | 83.4 | Confident | 73 Ų | 73 | 109.2 Ų | 109.2 | 34% | 0.341 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.9 | -45.5 | 176.5 | -178.3 | 177 | -171.3 | 0 | 0 | 112.6 | S308 M315 G316 S317 | S308-E312 VanDerWaalsContact O-CB 3.27Å; S308-E312 WeakPolarHBondContact O-CB 3.47Å; S308-E312 PolarHBondContact O-N 3.15Å; E312-M315 CarbonylContact O-C 3.6Å; E312-M315 PolarHBondContact O-N 2.97Å; E312-G316 PolarHBondContact O-N 3.1Å; E312-S317 VanDerWaalsContact CG-CB 3.47Å; E312-S317 PolarHBondContact O-N 3.4Å; E312-S317 VanDerWaalsContact O-N 3.14Å; E312-S317 PolarHBondContact OE1-OG 3.32Å |
| 313 | R | 86.9 | Confident | 82.8 | Confident | 184 Ų | 184 | 106.1 Ų | 106.1 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -35.2 | 173.6 | -76.8 | 176.4 | 178.3 | -166.8 | -1 | 113.6 | L309 R310 Q311 G316 V319 | L309-R313 WeakPolarHBondContact O-CB 3.35Å; L309-R313 VanDerWaalsContact O-CG 3.28Å; L309-R313 WeakPolarHBondContact O-CG 3.48Å; L309-R313 PolarHBondContact O-N 3.4Å; R310-R313 PolarHBondContact O-N 3.18Å; Q311-R313 VanDerWaalsContact C-N 3.34Å; Q311-R313 PolarHBondContact O-N 3.31Å; R313-G316 PolarHBondContact O-N 3.35Å; R313-V319 HydrophobicContact CG-CG2 4.39Å |
| 314 | L | 87.6 | Confident | 82.1 | Confident | 149 Ų | 149 | 107.6 Ų | 107.6 | 78% | 0.78 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.1 | -34.2 | 177.2 | -175.4 | 134.1 | 0 | 0 | 0 | 111.6 | R310 Q311 G316 | R310-L314 WeakPolarHBondContact O-CB 3.31Å; R310-L314 PolarHBondContact O-N 3.13Å; Q311-L314 CarbonylContact O-C 3.59Å; Q311-L314 WeakPolarHBondContact O-CA 3.26Å; Q311-L314 WeakPolarHBondContact O-CB 3.47Å; Q311-L314 PolarHBondContact O-N 3.15Å; L314-G316 PolarHBondContact O-N 3.24Å |
| 315 | M | 84.5 | Confident | 81.3 | Confident | 151 Ų | 151 | 110.1 Ų | 110.1 | 74% | 0.744 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 4.9 | 172.9 | -60.7 | -55.2 | -67.3 | 0 | 0 | 113.4 | Q311 E312 S317 | Q311-M315 VanDerWaalsContact O-CG 3.29Å; Q311-M315 WeakPolarHBondContact O-CG 3.26Å; Q311-M315 PolarHBondContact O-N 3.02Å; E312-M315 CarbonylContact O-C 3.6Å; E312-M315 PolarHBondContact O-N 2.97Å; M315-S317 VanDerWaalsContact C-N 3.26Å; M315-S317 PolarHBondContact O-N 3.12Å |
| 316 | G | 72.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 105.2 Ų | 105.2 | 62% | 0.619 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.8 | 14.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E312 R313 L314 | E312-G316 PolarHBondContact O-N 3.1Å; R313-G316 PolarHBondContact O-N 3.35Å; L314-G316 PolarHBondContact O-N 3.24Å |
| 317 | S | 67.2 | Low | 79.3 | Confident | 51 Ų | 51 | 109.6 Ų | 109.6 | 36% | 0.357 | 62% | 0.615 | S | S | . | * | trans | -62.3 | 130.7 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | E312 M315 V319 | E312-S317 VanDerWaalsContact CG-CB 3.47Å; E312-S317 PolarHBondContact O-N 3.4Å; E312-S317 VanDerWaalsContact O-N 3.14Å; E312-S317 PolarHBondContact OE1-OG 3.32Å; M315-S317 VanDerWaalsContact C-N 3.26Å; M315-S317 PolarHBondContact O-N 3.12Å; S317-V319 PolarHBondContact O-N 3.18Å; S317-V319 VanDerWaalsContact O-N 3.14Å | ||
| 318 | P | 61.3 | Low | 78.1 | Confident | 114 Ų | 114 | 112.4 Ų | 112.4 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | trans | -68.5 | 112.9 | 178.2 | 27.6 | -32.8 | 0 | 0 | 0 | 110.1 | A320 | P318-A320 PolarHBondContact O-N 2.91Å; P318-A320 VanDerWaalsContact O-N 3.14Å | ||
| 319 | V | 53.3 | Low | 76.8 | Confident | 93 Ų | 93 | 117 Ų | 117 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | trans | -65.1 | 112.1 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | R313 S317 | R313-V319 HydrophobicContact CG-CG2 4.39Å; S317-V319 PolarHBondContact O-N 3.18Å; S317-V319 VanDerWaalsContact O-N 3.14Å | ||
| 320 | A | 45.9 | Very low | 75.4 | Confident | 168 Ų | 168 | 120.7 Ų | 120.7 | 100% | 1.388 | 67% | 0.674 | S | S | * | * | trans | -72.4 | 0 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | P318 | P318-A320 PolarHBondContact O-N 2.91Å; P318-A320 VanDerWaalsContact O-N 3.14Å |
Retrieved 320 of 320 residues in 63.1 ms
(Link to these results)