| 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 | 51 | Low | 58.3 | Low | 228 Ų | 228 | 167.2 Ų | 167.2 | 100% | 1.123 | 85% | 0.845 | S | S | * | * | 0 | 124.4 | 0 | -62.3 | -52.8 | -175.9 | 0 | 0 | 105.3 | |||||
| 2 | D | 64.4 | Low | 58.3 | Low | 172 Ų | 172 | 163.5 Ų | 163.5 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | trans | 97.6 | 86.6 | -168.6 | -50.4 | -27.3 | 0 | 0 | 0 | 114 | ||||
| 3 | E | 73.4 | Confident | 57.6 | Low | 188 Ų | 188 | 163 Ų | 163 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -99.2 | 137.1 | 172.1 | -166.9 | -173.2 | -146.5 | 0 | 0 | 109.5 | ||||
| 4 | P | 73 | Confident | 56.6 | Low | 116 Ų | 116 | 159.5 Ų | 159.5 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -86.9 | 136.1 | 179 | 31.7 | -30.4 | 0 | 0 | 0 | 112.6 | D6 | P4-D6 PolarHBondContact O-N 3.4Š| ||
| 5 | L | 66.3 | Low | 56.2 | Low | 179 Ų | 179 | 157.8 Ų | 157.8 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -70.6 | 112.5 | 178.2 | -71.5 | 168.2 | 0 | 0 | 0 | 112 | ||||
| 6 | D | 64.9 | Low | 55.6 | Low | 141 Ų | 141 | 154 Ų | 154 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -77.4 | 121 | 166.8 | -178.7 | 24.5 | 0 | 0 | 0 | 110.1 | P4 | P4-D6 PolarHBondContact O-N 3.4Š| ||
| 7 | Y | 56 | Low | 55.2 | Low | 237 Ų | 237 | 155.1 Ų | 155.1 | 93% | 0.929 | 82% | 0.823 | S | S | * | * | trans | -111.2 | 70.2 | 175.8 | -151.9 | -89.3 | 0 | 0 | 0 | 109.2 | ||||
| 8 | S | 51.3 | Low | 54.4 | Low | 80 Ų | 80 | 151 Ų | 151 | 56% | 0.559 | 82% | 0.824 | S | S | * | * | trans | -110.8 | 145.4 | 168.5 | -162.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | Q | 44.7 | Very low | 54.1 | Low | 174 Ų | 174 | 149.4 Ų | 149.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | 92.4 | 92.1 | 168.5 | -47.5 | -177.8 | 24.4 | 0 | 0 | 117.5 | ||||
| 10 | K | 51.6 | Low | 53.7 | Low | 204 Ų | 204 | 146.8 Ų | 146.8 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -144.1 | 82.8 | 137.1 | -138.7 | 173.3 | -171.5 | -174.1 | 0 | 111.1 | ||||
| 11 | T | 45.2 | Very low | 53.5 | Low | 120 Ų | 120 | 146.6 Ų | 146.6 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 115.1 | 165.7 | 11.4 | 0 | 0 | 0 | 0 | 108.9 | H13 | T11-H13 PolarHBondContact O-CE1 3.46Å; T11-H13 VanDerWaalsContact O-CE1 3.26Å; T11-H13 PolarHBondContact O-ND1 3.43Å | ||
| 12 | T | 57.6 | Low | 53.4 | Low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -101.8 | 142.8 | 166.7 | 51.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 13 | H | 50.1 | Low | 52.4 | Low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -100.8 | 140.4 | -160.7 | -2.2 | -79.3 | 0 | 0 | 0 | 111.1 | T11 | T11-H13 PolarHBondContact O-CE1 3.46Å; T11-H13 VanDerWaalsContact O-CE1 3.26Å; T11-H13 PolarHBondContact O-ND1 3.43Å | ||
| 14 | S | 43.4 | Very low | 51.5 | Low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 66.7 | 144.2 | 150.5 | -45.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 15 | T | 49.7 | Very low | 50.4 | Low | 134 Ų | 134 | 138.5 Ų | 138.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | cis | -159.8 | 139.4 | 31.4 | -47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 16 | S | 47.3 | Very low | 49.2 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -87.6 | 148.9 | 169.2 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 17 | D | 48 | Very low | 48.2 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -166.7 | 122.8 | 136.7 | -94.2 | -18.9 | 0 | 0 | 0 | 111 | ||||
| 18 | G | 40.8 | Very low | 47.7 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -152.6 | 112.8 | 169 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 19 | S | 48.6 | Very low | 47.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -118 | 139.7 | 173.8 | -167.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 20 | S | 47.3 | Very low | 47.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 169.9 | 178.2 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | D | 49.9 | Very low | 47.8 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | 145.6 | 106.1 | 133 | -67.6 | -15.9 | 0 | 0 | 0 | 110.4 | ||||
| 22 | E | 48.7 | Very low | 47.8 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | 70.1 | 106.2 | 80.2 | -118.2 | -169.8 | 137.5 | 0 | 0 | 116.2 | |||||
| 23 | S | 43 | Very low | 47.6 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 59.5 | 110.2 | 145.4 | 58.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 24 | S | 54.5 | Low | 47.5 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -163.1 | 152.7 | 132.6 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 25 | S | 50.1 | Low | 47.7 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 155.1 | -166.7 | -64.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 26 | C | 39.9 | Very low | 47.8 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -38.1 | 161.8 | 161.1 | -73.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 27 | P | 43.8 | Very low | 47.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | cis | -148.2 | 170.5 | 37.2 | 38.9 | -16 | 0 | 0 | 0 | 119.7 | ||||
| 28 | S | 45.1 | Very low | 47.7 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -8.3 | 136.8 | 161 | -47.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 29 | Q | 52.3 | Low | 48 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 127 | 147.4 | 135.3 | -70 | -136.2 | -62.9 | 0 | 0 | 117.1 | ||||
| 30 | P | 48.1 | Very low | 48 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 56% | 0.558 | 77% | 0.773 | S | S | * | * | trans | -101 | -173.7 | -152.6 | 12 | 10.4 | 0 | 0 | 0 | 113.9 | ||||
| 31 | H | 50.6 | Low | 47.7 | Very low | 155 Ų | 155 | 124.9 Ų | 124.9 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 116.7 | 113.5 | 151.7 | -49.8 | -65.4 | 0 | 0 | 0 | 116.7 | ||||
| 32 | D | 45.6 | Very low | 47.7 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 83.8 | 102.4 | 132.6 | -57.7 | -16.2 | 0 | 0 | 0 | 123 | ||||
| 33 | T | 52.4 | Low | 47.2 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | 78 | 125.4 | 124.5 | 63.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 34 | S | 49.1 | Very low | 47.4 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 88.8 | 130.9 | 138.5 | 77.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 35 | G | 47.7 | Very low | 46.8 | Very low | 63 Ų | 63 | 126.4 Ų | 126.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | 123.6 | 85.8 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 36 | H | 50.3 | Low | 46.9 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | 60.1 | 110.5 | 133.5 | -60.3 | -63.7 | 0 | 0 | 0 | 123.4 | ||||
| 37 | S | 45.1 | Very low | 47.1 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | 70.3 | 133.3 | 118.8 | -58.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 38 | S | 49.1 | Very low | 46.8 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 77.1 | 114.4 | 151.2 | 79.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 39 | S | 47.5 | Very low | 47.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 113.5 | 124.7 | 55.2 | 64.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 40 | G | 47.3 | Very low | 47.1 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | 126.2 | 107.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 41 | C | 41.7 | Very low | 46.6 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -99.3 | 150.3 | 157.2 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 42 | P | 49 | Very low | 46.2 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -138.2 | 148.9 | 131.7 | 31 | -14.4 | 0 | 0 | 0 | 113.8 | ||||
| 43 | V | 39.7 | Very low | 46.1 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 140.6 | 179.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 44 | Y | 47.7 | Very low | 46.2 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -143.6 | 130.2 | 158.9 | -155.1 | -97.4 | 0 | 0 | 0 | 110 | ||||
| 45 | S | 41.5 | Very low | 45.7 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -126.9 | 179.6 | 168.8 | -120.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 46 | P | 51.8 | Low | 45.3 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | cis | -136.1 | -179.3 | -17 | 32.1 | -11.4 | 0 | 0 | 0 | 112 | ||||
| 47 | R | 44 | Very low | 44.7 | Very low | 243 Ų | 243 | 138 Ų | 138 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -164 | 136.6 | 139.8 | -161.5 | 165.5 | 173.4 | 178.4 | -2.9 | 114 | ||||
| 48 | M | 38.4 | Very low | 44.7 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -61.8 | 150.2 | 179.1 | -55.8 | -83.3 | 99.3 | 0 | 0 | 115.4 | ||||
| 49 | T | 51.9 | Low | 44.7 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -172.9 | 108.5 | 140.7 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 50 | T | 51.2 | Low | 44.4 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 63% | 0.632 | 80% | 0.803 | S | S | * | * | 75.6 | 103.4 | 125.4 | -33.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 51 | Q | 37.7 | Very low | 44.7 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | 48 | 112.5 | 129.2 | -50.6 | 179 | 43.4 | 0 | 0 | 120.4 | |||||
| 52 | R | 41.9 | Very low | 44.5 | Very low | 241 Ų | 241 | 144.4 Ų | 144.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -147.6 | 117.2 | 134.8 | -154.8 | 172.7 | -144.1 | -128.7 | 2.7 | 112.1 | ||||
| 53 | T | 43.6 | Very low | 44 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -67.1 | 131.6 | 172.8 | 31.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 54 | T | 53.7 | Low | 44.2 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -136.6 | 118.7 | 148.9 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 55 | A | 39.9 | Very low | 43.8 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 133.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 56 | C | 37.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -119.9 | 104.4 | 158.3 | -170.1 | 0 | 0 | 0 | 0 | 107.5 | I58 | C56-I58 PolarHBondContact O-N 3.35Š| ||
| 57 | C | 39.2 | Very low | 43.5 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 108.4 | 176 | 35.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 58 | I | 43.8 | Very low | 43.5 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -90.5 | 100.5 | 158.6 | -59.4 | 176.2 | 0 | 0 | 0 | 105.8 | C56 | C56-I58 PolarHBondContact O-N 3.35Š| ||
| 59 | T | 50.1 | Low | 43.9 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -75.1 | 130.7 | 174.4 | 41 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | P | 41.5 | Very low | 43.8 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -87 | 112.7 | 171.7 | 32.1 | -27 | 0 | 0 | 0 | 108.7 | N62 | P60-N62 PolarHBondContact O-N 3.18Š| ||
| 61 | T | 52.1 | Low | 43.7 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | -86.6 | 102.9 | 174.7 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 62 | N | 39 | Very low | 44.2 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 35.6 | 128.9 | 144.7 | -113.4 | -42.2 | 0 | 0 | 0 | 121.2 | P60 T64 | P60-N62 PolarHBondContact O-N 3.18Å; N62-T64 PolarHBondContact O-N 3.38Å | ||
| 63 | P | 38.7 | Very low | 44.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -81.9 | 118.5 | -178.9 | 33.8 | -27.9 | 0 | 0 | 0 | 110.5 | ||||
| 64 | T | 43.2 | Very low | 44.5 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -113.6 | 115.4 | 174.4 | 0.1 | 0 | 0 | 0 | 0 | 110.7 | N62 | N62-T64 PolarHBondContact O-N 3.38Š| ||
| 65 | S | 38.9 | Very low | 44 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 52% | 0.524 | 73% | 0.727 | S | S | . | * | trans | 67.3 | 94 | 154.3 | -171.1 | 0 | 0 | 0 | 0 | 118 | F67 | S65-F67 PolarHBondContact O-N 3.31Å; S65-F67 PolarHBondContact OG-N 3.42Å | ||
| 66 | L | 43.8 | Very low | 44.2 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 99% | 0.99 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 11.8 | 163.4 | -80.7 | 159 | 0 | 0 | 0 | 114.6 | ||
| 67 | F | 43 | Very low | 44.5 | Very low | 183 Ų | 183 | 130 Ų | 130 | 80% | 0.803 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -2.2 | -171.1 | -157.9 | -105.1 | 0 | 0 | 0 | 114.5 | S65 | S65-F67 PolarHBondContact O-N 3.31Å; S65-F67 PolarHBondContact OG-N 3.42Å |
| 68 | N | 44.3 | Very low | 44.3 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | trans | -114.4 | 6.4 | -172.4 | -112.1 | -12.6 | 0 | 0 | 0 | 116.1 | Y70 | N68-Y70 PolarHBondContact O-N 2.99Å; N68-Y70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | S | 47.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 54% | 0.538 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -9.2 | -175 | -170.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 70 | Y | 48.2 | Very low | 43.7 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 58% | 0.584 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -9.2 | -171.5 | -63.8 | -71.4 | 0 | 0 | 0 | 114.7 | N68 A218 | N68-Y70 PolarHBondContact O-N 2.99Å; N68-Y70 VanDerWaalsContact O-N 3.08Å; Y70-A218 HydrophobicContact CE1-CB 3.92Å |
| 71 | N | 49.5 | Very low | 43.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -17 | -174.9 | -89.6 | -73.3 | 0 | 0 | 0 | 115.5 | ||
| 72 | Y | 48.2 | Very low | 43.2 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -83.1 | -20 | -177.8 | -84.4 | -83.3 | 0 | 0 | 0 | 114.7 | ||
| 73 | L | 47.8 | Very low | 43.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 59% | 0.592 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -95.9 | -17.7 | -177.2 | -72.4 | 168.8 | 0 | 0 | 0 | 114.4 | ||
| 74 | L | 44.7 | Very low | 43.9 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -77.9 | -19.6 | 175.1 | -87.4 | 151.7 | 0 | 0 | 0 | 112.9 | ||
| 75 | N | 43.6 | Very low | 43.9 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -88.5 | -8.1 | 178.4 | -94.2 | -15.9 | 0 | 0 | 0 | 114.8 | ||
| 76 | S | 42.9 | Very low | 44.5 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -91.5 | -2.9 | -178.7 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 77 | I | 44.7 | Very low | 44.6 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 65% | 0.651 | 74% | 0.74 | S | S | * | * | trans | -121.3 | 40.6 | -173.3 | -43.7 | 176.1 | 0 | 0 | 0 | 110.8 | ||||
| 78 | A | 35.1 | Very low | 44.8 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | -108.7 | 96.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 79 | L | 41 | Very low | 45.1 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 94% | 0.942 | 76% | 0.758 | S | S | * | * | trans | 177.8 | 118 | 156.9 | -94.1 | 151.7 | 0 | 0 | 0 | 111.1 | ||||
| 80 | G | 39.2 | Very low | 45.1 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 107.5 | 111 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 81 | S | 44.6 | Very low | 45.4 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -96.2 | 157.9 | -172.8 | -34.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 82 | N | 38.5 | Very low | 45 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 61.8 | 107.5 | 152.1 | -63.8 | -59.6 | 0 | 0 | 0 | 120.1 | ||||
| 83 | L | 46.3 | Very low | 45.2 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | -160.8 | 142.6 | 126.6 | -156.6 | 53.1 | 0 | 0 | 0 | 112.2 | |||||
| 84 | A | 47.1 | Very low | 45.2 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 146.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 85 | G | 42.5 | Very low | 45.2 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 176.3 | 68.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H87 | G85-H87 PolarHBondContact O-N 3.35Š| ||
| 86 | R | 51.1 | Low | 45.2 | Very low | 233 Ų | 233 | 134.6 Ų | 134.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -72.7 | 98.6 | 173.4 | -61.9 | 170.5 | 82.7 | -170.4 | 7.9 | 109.5 | ||||
| 87 | H | 46.2 | Very low | 45.6 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -146.9 | 84.8 | 151.9 | -72.6 | -63.1 | 0 | 0 | 0 | 109.3 | G85 | G85-H87 PolarHBondContact O-N 3.35Š| ||
| 88 | L | 47.4 | Very low | 45.5 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 126.6 | 168.9 | -64 | 173 | 0 | 0 | 0 | 109.2 | ||||
| 89 | L | 50.1 | Low | 45.9 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | 52.8 | 128.1 | 138.5 | -59 | 169 | 0 | 0 | 0 | 120.1 | ||||
| 90 | S | 48.8 | Very low | 46.3 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | 100.6 | 153.3 | 142 | -137.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 91 | P | 54.3 | Low | 46.7 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | -136.5 | 161.4 | -53.1 | 35.8 | -21.8 | 0 | 0 | 0 | 112.2 | |||||
| 92 | L | 39.9 | Very low | 47.2 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -104.6 | 88.8 | 163.7 | -167.5 | 65.8 | 0 | 0 | 0 | 109.6 | ||||
| 93 | V | 52.7 | Low | 47.6 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -102.2 | 111.8 | 157.8 | 171.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 94 | T | 48 | Very low | 47.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.644 | 81% | 0.81 | S | S | * | * | trans | -98.2 | 108.2 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 95 | T | 44.1 | Very low | 47.7 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | trans | 56.6 | 98.8 | 139.1 | -27 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 96 | L | 45.3 | Very low | 48 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -130 | 121.4 | 143 | -82.7 | 163.3 | 0 | 0 | 0 | 108.6 | ||||
| 97 | N | 49.9 | Very low | 47.7 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 134.4 | -179.8 | -71.2 | -10.6 | 0 | 0 | 0 | 112.1 | ||||
| 98 | G | 43.5 | Very low | 47.6 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 163.6 | 98.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | S | 43.5 | Very low | 47.6 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | trans | -50.3 | 131.2 | 172.6 | -68.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 100 | A | 48.8 | Very low | 47.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 157.3 | 152 | 128.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 101 | A | 49 | Very low | 47.5 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 80.6 | 92.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 102 | M | 53.4 | Low | 47 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | 87.1 | 107.4 | 82.6 | -70.9 | -126.7 | 76.8 | 0 | 0 | 112.9 | |||||
| 103 | S | 47.9 | Very low | 47.3 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 124.9 | 168.4 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 104 | L | 49.1 | Very low | 46.7 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 110.1 | 163.7 | -83.3 | 168.7 | 0 | 0 | 0 | 108.9 | ||||
| 105 | A | 47 | Very low | 46.4 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 56% | 0.562 | 81% | 0.809 | S | S | * | * | trans | -33.2 | 141 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V107 | A105-V107 PolarHBondContact O-N 3.32Š| ||
| 106 | Q | 48.1 | Very low | 46.1 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | 41.3 | 68.1 | 78.9 | -78.1 | -174.4 | -70 | 0 | 0 | 113.2 | |||||
| 107 | V | 45.5 | Very low | 46 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -143.7 | 146.3 | 156.5 | 176.8 | 0 | 0 | 0 | 0 | 106.6 | A105 | A105-V107 PolarHBondContact O-N 3.32Š| ||
| 108 | L | 44.2 | Very low | 45.7 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | 95.5 | 57.8 | -173.4 | -47 | -179.8 | 0 | 0 | 0 | 114.1 | ||||
| 109 | S | 47.2 | Very low | 45.3 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -94.2 | 147.4 | 141.6 | 59.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 110 | Q | 47.3 | Very low | 45.7 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 89.5 | 88.8 | 167.7 | -54.2 | 172.8 | 52.8 | 0 | 0 | 118.1 | ||||
| 111 | T | 48.2 | Very low | 45.5 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | -149.5 | 128.8 | 127.5 | 53.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 112 | P | 44.9 | Very low | 45.5 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -110.9 | 148 | 162 | 35.2 | -24.9 | 0 | 0 | 0 | 110.3 | ||||
| 113 | S | 45.6 | Very low | 45.2 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 151.3 | 108.1 | 143.2 | 171.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 114 | M | 40.9 | Very low | 45.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | 85.5 | 142.2 | 133.7 | -58.1 | -73.4 | -109.9 | 0 | 0 | 120.8 | ||||
| 115 | I | 40.8 | Very low | 45 | Very low | 166 Ų | 166 | 134 Ų | 134 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | 80.7 | 111.1 | 173.3 | -61.1 | 138.2 | 0 | 0 | 0 | 112.2 | ||||
| 116 | G | 37.8 | Very low | 45.3 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | 109.1 | 120.6 | 37.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 117 | I | 43.8 | Very low | 45.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | 106.1 | 124.1 | 167 | -52.2 | 158 | 0 | 0 | 0 | 116.5 | ||||
| 118 | A | 43.3 | Very low | 46.3 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | trans | 76.1 | 97 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | S120 | A118-S120 PolarHBondContact O-N 3.48Å; A118-S120 PolarHBondContact O-OG 3.39Å | ||
| 119 | D | 35.9 | Very low | 47 | Very low | 136 Ų | 136 | 123 Ų | 123 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -39.3 | 98.3 | 154.7 | -165.9 | 8.8 | 0 | 0 | 0 | 112.5 | R121 | D119-R121 WeakPolarHBondContact OD1-CD 3.26Å; D119-R121 VanDerWaalsContact OD1-CG 3.31Å; D119-R121 WeakPolarHBondContact OD1-CG 3.42Å | ||
| 120 | S | 50.5 | Low | 47.9 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | -105.3 | 52.2 | 176.6 | 23.6 | 0 | 0 | 0 | 0 | 110 | A118 S122 | A118-S120 PolarHBondContact O-N 3.48Å; A118-S120 PolarHBondContact O-OG 3.39Å; S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 3.2Å | ||
| 121 | R | 45.4 | Very low | 48.9 | Very low | 228 Ų | 228 | 113.7 Ų | 113.7 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 7.7 | 175.2 | -84.2 | -179.7 | 163 | 172.3 | -2.8 | 114.9 | D119 | D119-R121 WeakPolarHBondContact OD1-CD 3.26Å; D119-R121 VanDerWaalsContact OD1-CG 3.31Å; D119-R121 WeakPolarHBondContact OD1-CG 3.42Å |
| 122 | S | 49.1 | Very low | 50.2 | Low | 106 Ų | 106 | 112.9 Ų | 112.9 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 2.9 | -177.3 | 53.1 | 0 | 0 | 0 | 0 | 115.7 | S120 | S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 3.2Å |
| 123 | A | 47 | Very low | 51.5 | Low | 83 Ų | 83 | 110 Ų | 110 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -95.4 | 8.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 124 | I | 46.2 | Very low | 53 | Low | 163 Ų | 163 | 107 Ų | 107 | 84% | 0.836 | 63% | 0.628 | S | S | * | * | trans | -124.1 | 68.8 | -176.8 | -47.7 | 176.2 | 0 | 0 | 0 | 110.3 | ||||
| 125 | Q | 46.7 | Very low | 54.7 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -133.8 | -0.6 | 170.7 | -68.9 | -166.1 | 0.4 | 0 | 0 | 114.2 | S127 | Q125-S127 PolarHBondContact O-N 3.04Š| ||
| 126 | V | 53.7 | Low | 56.5 | Low | 89 Ų | 89 | 96.5 Ų | 96.5 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -99 | 20.9 | -167 | -150.9 | 0 | 0 | 0 | 0 | 114.3 | K215 | V126-K215 HydrophobicContact CG1-CD 3.81Å; V126-K215 VanDerWaalsContact CG1-CE 3.47Å; V126-K215 VanDerWaalsContact CG1-NZ 3.29Å |
| 127 | S | 57.1 | Low | 58.3 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -129.3 | -9.1 | -177.3 | -54.4 | 0 | 0 | 0 | 0 | 115.1 | Q125 S131 | Q125-S127 PolarHBondContact O-N 3.04Å; S127-S131 WeakPolarHBondContact O-CB 3.48Å; S127-S131 PolarHBondContact O-N 3.19Å |
| 128 | T | 57.2 | Low | 60 | Low | 93 Ų | 93 | 91.4 Ų | 91.4 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.4 | -44.1 | -179 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | G130 S131 E132 | T128-G130 PolarHBondContact O-N 2.99Å; T128-S131 WeakPolarHBondContact O-CA 3.39Å; T128-S131 WeakPolarHBondContact O-CB 3.39Å; T128-S131 PolarHBondContact O-N 3.02Å; T128-E132 WeakPolarHBondContact O-CG 3.4Å; T128-E132 PolarHBondContact O-N 3.41Å |
| 129 | A | 58.8 | Low | 61.9 | Low | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S131 E132 I133 | A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 2.88Å; A129-E132 PolarHBondContact O-N 3.21Å; A129-I133 WeakPolarHBondContact O-CG1 3.39Å; A129-I133 PolarHBondContact O-N 3.43Å |
| 130 | G | 65.3 | Low | 64 | Low | 18 Ų | 18 | 96.3 Ų | 96.3 | 19% | 0.186 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T128 A134 | T128-G130 PolarHBondContact O-N 2.99Å; G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.44Å; G130-A134 PolarHBondContact O-N 3.02Å |
| 131 | S | 69.8 | Low | 65.5 | Low | 64 Ų | 64 | 97.9 Ų | 97.9 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | S127 T128 A129 S135 | S127-S131 WeakPolarHBondContact O-CB 3.48Å; S127-S131 PolarHBondContact O-N 3.19Å; T128-S131 WeakPolarHBondContact O-CA 3.39Å; T128-S131 WeakPolarHBondContact O-CB 3.39Å; T128-S131 PolarHBondContact O-N 3.02Å; A129-S131 VanDerWaalsContact C-N 3.33Å; A129-S131 PolarHBondContact O-N 2.88Å; S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 3.36Å; S131-S135 PolarHBondContact O-OG 3.34Å |
| 132 | E | 73.6 | Confident | 67.2 | Low | 126 Ų | 126 | 94.6 Ų | 94.6 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.2 | -42.9 | 178.1 | -63.9 | -53.3 | 156.3 | 0 | 0 | 112 | T128 A129 S135 S136 | T128-E132 WeakPolarHBondContact O-CG 3.4Å; T128-E132 PolarHBondContact O-N 3.41Å; A129-E132 PolarHBondContact O-N 3.21Å; E132-S135 PolarHBondContact O-N 3.48Å; E132-S136 VanDerWaalsContact O-CB 3.31Å; E132-S136 WeakPolarHBondContact O-CB 3.31Å; E132-S136 PolarHBondContact O-N 3.25Å |
| 133 | I | 72.9 | Confident | 68.7 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 33% | 0.328 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 176.1 | -64.9 | 166.3 | 0 | 0 | 0 | 109.8 | A129 S135 S136 L137 L204 | A129-I133 WeakPolarHBondContact O-CG1 3.39Å; A129-I133 PolarHBondContact O-N 3.43Å; I133-S135 VanDerWaalsContact C-N 3.35Å; I133-S135 PolarHBondContact O-N 2.92Å; I133-S136 PolarHBondContact O-N 3.48Å; I133-L137 HydrophobicContact CG2-CD1 4.25Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.33Å; I133-L204 HydrophobicContact CG2-CD2 4.29Å |
| 134 | A | 76.5 | Confident | 70.2 | Confident | 46 Ų | 46 | 94.4 Ų | 94.4 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G130 L137 L138 | G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.44Å; G130-A134 PolarHBondContact O-N 3.02Å; A134-L137 PolarHBondContact O-N 3.35Å; A134-L138 WeakPolarHBondContact O-CB 3.43Å; A134-L138 VanDerWaalsContact O-CG 3.31Å; A134-L138 WeakPolarHBondContact O-CG 3.33Å; A134-L138 PolarHBondContact O-N 2.95Å |
| 135 | S | 78.3 | Confident | 71.6 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | S131 E132 I133 L138 R139 | S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 3.36Å; S131-S135 PolarHBondContact O-OG 3.34Å; E132-S135 PolarHBondContact O-N 3.48Å; I133-S135 VanDerWaalsContact C-N 3.35Å; I133-S135 PolarHBondContact O-N 2.92Å; S135-L138 PolarHBondContact O-N 3.42Å; S135-R139 VanDerWaalsContact O-CG 3.32Å; S135-R139 WeakPolarHBondContact O-CG 3.33Å; S135-R139 PolarHBondContact O-N 3.43Å |
| 136 | S | 77.8 | Confident | 73.1 | Confident | 65 Ų | 65 | 91.7 Ų | 91.7 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | E132 I133 R139 R140 | E132-S136 VanDerWaalsContact O-CB 3.31Å; E132-S136 WeakPolarHBondContact O-CB 3.31Å; E132-S136 PolarHBondContact O-N 3.25Å; I133-S136 PolarHBondContact O-N 3.48Å; S136-R139 WeakPolarHBondContact O-CB 3.47Å; S136-R139 PolarHBondContact O-N 2.94Å; S136-R140 PolarHBondContact O-N 3.05Å |
| 137 | L | 75.7 | Confident | 73.9 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 174.8 | -80 | 176.1 | 0 | 0 | 0 | 112.3 | I133 A134 R139 R140 R141 L204 | I133-L137 HydrophobicContact CG2-CD1 4.25Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.33Å; A134-L137 PolarHBondContact O-N 3.35Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.48Å; L137-R140 PolarHBondContact O-N 2.88Å; L137-R140 VanDerWaalsContact O-N 3.16Å; L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 PolarHBondContact O-N 2.96Å; L137-L204 HydrophobicContact CD1-CB 3.99Å; L137-L204 HydrophobicContact CD1-CD1 3.97Å; L137-L204 HydrophobicContact CD2-CD1 3.3Å; L137-L204 HydrophobicContact CG-CD1 3.83Å |
| 138 | L | 80 | Confident | 74.6 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 176 | -74.7 | 165.2 | 0 | 0 | 0 | 111.7 | A134 S135 R142 | A134-L138 WeakPolarHBondContact O-CB 3.43Å; A134-L138 VanDerWaalsContact O-CG 3.31Å; A134-L138 WeakPolarHBondContact O-CG 3.33Å; A134-L138 PolarHBondContact O-N 2.95Å; S135-L138 PolarHBondContact O-N 3.42Å; L138-R142 WeakPolarHBondContact O-CB 3.33Å; L138-R142 VanDerWaalsContact O-CG 3.24Å; L138-R142 WeakPolarHBondContact O-CG 3.39Å; L138-R142 PolarHBondContact O-N 2.91Å |
| 139 | R | 82.7 | Confident | 75.2 | Confident | 190 Ų | 190 | 88.2 Ų | 88.2 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 174 | -73 | 174.6 | -174.9 | -142.9 | 4 | 111.7 | S135 S136 L137 R142 K143 | S135-R139 VanDerWaalsContact O-CG 3.32Å; S135-R139 WeakPolarHBondContact O-CG 3.33Å; S135-R139 PolarHBondContact O-N 3.43Å; S136-R139 WeakPolarHBondContact O-CB 3.47Å; S136-R139 PolarHBondContact O-N 2.94Å; L137-R139 VanDerWaalsContact C-N 3.29Å; L137-R139 PolarHBondContact O-N 3.48Å; R139-R142 PolarHBondContact O-N 3.46Å; R139-K143 WeakPolarHBondContact O-CB 3.41Å; R139-K143 PolarHBondContact O-N 3.47Å |
| 140 | R | 79.9 | Confident | 75.5 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.7 | -170.4 | 177.7 | -66.8 | -173.4 | 2 | 111.1 | S136 L137 K143 Y144 E200 | S136-R140 PolarHBondContact O-N 3.05Å; L137-R140 PolarHBondContact O-N 2.88Å; L137-R140 VanDerWaalsContact O-N 3.16Å; R140-K143 WeakPolarHBondContact O-CB 3.42Å; R140-K143 PolarHBondContact O-N 2.91Å; R140-Y144 PolarHBondContact O-N 3.33Å; R140-E200 IonicContact CZ-OE2 3.94Å; R140-E200 IonicContact NH1-OE2 3.5Å; R140-E200 PolarHBondContact NH1-OE2 3.33Å |
| 141 | R | 81.3 | Confident | 75.5 | Confident | 136 Ų | 136 | 92.2 Ų | 92.2 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | 175.5 | -177.7 | 175.8 | 170.9 | -175.3 | -0.9 | 112.2 | L137 K143 Y144 E145 | L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 PolarHBondContact O-N 2.96Å; R141-K143 PolarHBondContact O-N 3.47Å; R141-Y144 WeakPolarHBondContact O-CB 3.28Å; R141-Y144 PolarHBondContact O-N 3.03Å; R141-Y144 VanDerWaalsContact O-N 3.1Å; R141-E145 HydrophobicContact CG-CG 4.46Å; R141-E145 IonicContact CZ-OE1 3.42Å; R141-E145 IonicContact NE-OE1 3.93Å; R141-E145 PolarHBondContact NE-OE1 3.45Å; R141-E145 IonicContact NH2-OE1 3.18Å; R141-E145 PolarHBondContact NH2-OE1 3.22Å; R141-E145 PolarHBondContact O-N 3.09Å |
| 142 | R | 81.4 | Confident | 75.1 | Confident | 159 Ų | 159 | 92.7 Ų | 92.7 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.6 | -30.8 | 176.7 | -73.6 | 176.6 | -173.5 | 175.8 | 3.4 | 113.1 | L138 R139 R146 | L138-R142 WeakPolarHBondContact O-CB 3.33Å; L138-R142 VanDerWaalsContact O-CG 3.24Å; L138-R142 WeakPolarHBondContact O-CG 3.39Å; L138-R142 PolarHBondContact O-N 2.91Å; R139-R142 PolarHBondContact O-N 3.46Å; R142-R146 PolarHBondContact O-N 2.88Å; R142-R146 PolarHBondContact O-NE 3.08Å |
| 143 | K | 81.6 | Confident | 74.4 | Confident | 128 Ų | 128 | 89.9 Ų | 89.9 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.6 | -46 | 174 | -171.5 | 178.4 | -180 | -178.3 | 0 | 110.2 | R139 R140 R141 R146 H147 | R139-K143 WeakPolarHBondContact O-CB 3.41Å; R139-K143 PolarHBondContact O-N 3.47Å; R140-K143 WeakPolarHBondContact O-CB 3.42Å; R140-K143 PolarHBondContact O-N 2.91Å; R141-K143 PolarHBondContact O-N 3.47Å; K143-R146 PolarHBondContact O-N 3.21Å; K143-H147 PolarHBondContact O-CD2 3.37Å; K143-H147 PolarHBondContact O-N 3.23Å; K143-H147 VanDerWaalsContact O-N 3.15Å |
| 144 | Y | 77.1 | Confident | 73.7 | Confident | 57 Ų | 57 | 92.7 Ų | 92.7 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 175.9 | -177 | -98.4 | 0 | 0 | 0 | 112 | R140 R141 R146 H147 V148 R190 E193 A194 | R140-Y144 PolarHBondContact O-N 3.33Å; R141-Y144 WeakPolarHBondContact O-CB 3.28Å; R141-Y144 PolarHBondContact O-N 3.03Å; R141-Y144 VanDerWaalsContact O-N 3.1Å; Y144-R146 VanDerWaalsContact C-N 3.3Å; Y144-R146 PolarHBondContact O-N 3.07Å; Y144-H147 PolarHBondContact O-N 2.97Å; Y144-V148 HydrophobicContact CD1-CG2 3.86Å; Y144-V148 HydrophobicContact CE1-CG2 3.47Å; Y144-V148 VanDerWaalsContact CE1-CG2 3.47Å; Y144-V148 HydrophobicContact CE2-CG2 4.39Å; Y144-V148 HydrophobicContact CG-CG2 4.46Å; Y144-V148 VanDerWaalsContact O-CG2 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.28Å; Y144-V148 PolarHBondContact O-N 3.46Å; Y144-R190 WeakPolarHBondContact OH-CG 3.37Å; Y144-R190 PolarHBondContact OH-O 3.45Å; Y144-E193 HydrophobicContact CE2-CB 3.89Å; Y144-A194 HydrophobicContact CE1-CB 4.17Å; Y144-A194 WeakPolarHBondContact OH-CA 3.49Å; Y144-A194 WeakPolarHBondContact OH-CB 3.46Å; Y144-A194 PolarHBondContact OH-N 2.99Å |
| 145 | E | 77 | Confident | 72.7 | Confident | 86 Ų | 86 | 94 Ų | 94 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 179 | -73.3 | 172.2 | 175.3 | 0 | 0 | 113 | R141 V148 S149 | R141-E145 HydrophobicContact CG-CG 4.46Å; R141-E145 IonicContact CZ-OE1 3.42Å; R141-E145 IonicContact NE-OE1 3.93Å; R141-E145 PolarHBondContact NE-OE1 3.45Å; R141-E145 IonicContact NH2-OE1 3.18Å; R141-E145 PolarHBondContact NH2-OE1 3.22Å; R141-E145 PolarHBondContact O-N 3.09Å; E145-V148 PolarHBondContact O-N 3.3Å; E145-S149 PolarHBondContact O-N 3.39Å; E145-S149 PolarHBondContact O-OG 3.34Å |
| 146 | R | 77.1 | Confident | 71.6 | Confident | 159 Ų | 159 | 95.8 Ų | 95.8 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 172 | -87 | -175.3 | -71.3 | 161.1 | -5.8 | 113 | R142 K143 Y144 V148 S149 N150 | R142-R146 PolarHBondContact O-N 2.88Å; R142-R146 PolarHBondContact O-NE 3.08Å; K143-R146 PolarHBondContact O-N 3.21Å; Y144-R146 VanDerWaalsContact C-N 3.3Å; Y144-R146 PolarHBondContact O-N 3.07Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.93Å; R146-S149 WeakPolarHBondContact CA-OG 3.46Å; R146-S149 PolarHBondContact O-OG 3.09Å; R146-N150 PolarHBondContact O-N 3.49Å; R146-N150 PolarHBondContact O-ND2 3.4Å |
| 147 | H | 71.9 | Confident | 70.6 | Confident | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 174.9 | -73.6 | -66.2 | 0 | 0 | 0 | 111.4 | K143 Y144 R190 | K143-H147 PolarHBondContact O-CD2 3.37Å; K143-H147 PolarHBondContact O-N 3.23Å; K143-H147 VanDerWaalsContact O-N 3.15Å; Y144-H147 PolarHBondContact O-N 2.97Å; H147-R190 PolarHBondContact O-NH2 2.97Å |
| 148 | V | 71.5 | Confident | 69.5 | Low | 33 Ų | 33 | 105 Ų | 105 | 20% | 0.2 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.2 | -54.3 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | Y144 E145 R146 N150 D151 D152 R190 | Y144-V148 HydrophobicContact CD1-CG2 3.86Å; Y144-V148 HydrophobicContact CE1-CG2 3.47Å; Y144-V148 VanDerWaalsContact CE1-CG2 3.47Å; Y144-V148 HydrophobicContact CE2-CG2 4.39Å; Y144-V148 HydrophobicContact CG-CG2 4.46Å; Y144-V148 VanDerWaalsContact O-CG2 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.28Å; Y144-V148 PolarHBondContact O-N 3.46Å; E145-V148 PolarHBondContact O-N 3.3Å; R146-V148 VanDerWaalsContact C-N 3.27Å; R146-V148 PolarHBondContact O-N 2.93Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.08Å; V148-D151 PolarHBondContact O-N 2.9Å; V148-D152 WeakPolarHBondContact CG1-OD2 3.34Å; V148-D152 PolarHBondContact O-N 3.3Å; V148-R190 VanDerWaalsContact CA-CZ 3.46Å; V148-R190 HydrophobicContact CG2-CG 4.47Å; V148-R190 PolarHBondContact O-NH1 2.83Å |
| 149 | S | 68.3 | Low | 67.7 | Low | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | -177 | 42.5 | 0 | 0 | 0 | 0 | 114.1 | E145 R146 S153 | E145-S149 PolarHBondContact O-N 3.39Å; E145-S149 PolarHBondContact O-OG 3.34Å; R146-S149 WeakPolarHBondContact CA-OG 3.46Å; R146-S149 PolarHBondContact O-OG 3.09Å; S149-S153 PolarHBondContact O-N 3.39Å; S149-S153 VanDerWaalsContact O-N 3.13Å |
| 150 | N | 66.6 | Low | 66.1 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | -179.6 | -73.8 | -16.3 | 0 | 0 | 0 | 113 | R146 V148 S153 | R146-N150 PolarHBondContact O-N 3.49Å; R146-N150 PolarHBondContact O-ND2 3.4Å; V148-N150 VanDerWaalsContact C-N 3.33Å; V148-N150 PolarHBondContact O-N 3.08Å; N150-S153 PolarHBondContact O-OG 3.04Å |
| 151 | D | 64.1 | Low | 64.8 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 28% | 0.283 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.4 | -30.4 | 179.4 | -82.3 | -17 | 0 | 0 | 0 | 112.7 | V148 S153 T155 N186 R190 | V148-D151 PolarHBondContact O-N 2.9Å; D151-S153 VanDerWaalsContact C-N 3.34Å; D151-T155 PolarHBondContact O-N 3.33Å; D151-T155 PolarHBondContact O-OG1 3.08Å; D151-N186 PolarHBondContact OD2-ND2 2.95Å; D151-R190 VanDerWaalsContact CG-NH2 3.34Å; D151-R190 IonicContact OD2-CZ 2.8Å; D151-R190 IonicContact OD2-NH1 2.7Å; D151-R190 IonicContact OD2-NH2 3.59Å; D151-R190 PolarHBondContact OD2-NH2 3.13Å |
| 152 | D | 61.5 | Low | 63.4 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.8 | -31.2 | 178.4 | -65.7 | -12.2 | 0 | 0 | 0 | 111 | V148 I154 T155 S156 R190 | V148-D152 WeakPolarHBondContact CG1-OD2 3.34Å; V148-D152 PolarHBondContact O-N 3.3Å; D152-I154 VanDerWaalsContact C-N 3.34Å; D152-I154 PolarHBondContact O-N 3.48Å; D152-T155 PolarHBondContact O-N 2.85Å; D152-S156 WeakPolarHBondContact O-CB 3.45Å; D152-S156 PolarHBondContact O-N 3.49Å; D152-S156 PolarHBondContact O-OG 2.8Å; D152-R190 IonicContact OD1-NH1 3.81Å; D152-R190 PolarHBondContact OD1-NH1 3.16Å |
| 153 | S | 58.7 | Low | 61.9 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 174.9 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | S149 N150 D151 T155 | S149-S153 PolarHBondContact O-N 3.39Å; S149-S153 VanDerWaalsContact O-N 3.13Å; N150-S153 PolarHBondContact O-OG 3.04Å; D151-S153 VanDerWaalsContact C-N 3.34Å; S153-T155 VanDerWaalsContact C-N 3.33Å |
| 154 | I | 57.9 | Low | 60.5 | Low | 122 Ų | 122 | 101 Ų | 101 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.6 | -32.8 | 176.7 | -62.6 | 168.9 | 0 | 0 | 0 | 110.5 | D152 | D152-I154 VanDerWaalsContact C-N 3.34Å; D152-I154 PolarHBondContact O-N 3.48Å |
| 155 | T | 56.5 | Low | 59.5 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -81.4 | -28.2 | -177 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | D151 D152 S153 Q157 | D151-T155 PolarHBondContact O-N 3.33Å; D151-T155 PolarHBondContact O-OG1 3.08Å; D152-T155 PolarHBondContact O-N 2.85Å; S153-T155 VanDerWaalsContact C-N 3.33Å; T155-Q157 PolarHBondContact O-N 2.98Å |
| 156 | S | 55.9 | Low | 58.5 | Low | 83 Ų | 83 | 111.4 Ų | 111.4 | 58% | 0.58 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -10.5 | -174.6 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | D152 | D152-S156 WeakPolarHBondContact O-CB 3.45Å; D152-S156 PolarHBondContact O-N 3.49Å; D152-S156 PolarHBondContact O-OG 2.8Å |
| 157 | Q | 55.8 | Low | 57.4 | Low | 174 Ų | 174 | 107.9 Ų | 107.9 | 81% | 0.813 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -9.3 | 175.2 | -76.1 | -167.3 | -56.3 | 0 | 0 | 114.1 | T155 T159 | T155-Q157 PolarHBondContact O-N 2.98Å; Q157-T159 VanDerWaalsContact C-N 3.33Å; Q157-T159 PolarHBondContact O-N 3.48Å |
| 158 | E | 51.8 | Low | 57 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 58% | 0.575 | 58% | 0.577 | S | S | * | * | trans | -95.1 | 52.1 | 173.9 | -75.6 | -177.5 | 142.5 | 0 | 0 | 111.8 | S160 R183 | E158-S160 PolarHBondContact O-N 3.32Å; E158-R183 IonicContact OE1-NH2 3.82Å; E158-R183 IonicContact OE2-CZ 3.73Å; E158-R183 IonicContact OE2-NE 2.82Å; E158-R183 IonicContact OE2-NH2 3.02Å; E158-R183 PolarHBondContact OE2-NH2 2.8Å | ||
| 159 | T | 44.1 | Very low | 57.1 | Low | 122 Ų | 122 | 109 Ų | 109 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | trans | -86.9 | 83.3 | 161.9 | 56.7 | 0 | 0 | 0 | 0 | 109 | Q157 | Q157-T159 VanDerWaalsContact C-N 3.33Å; Q157-T159 PolarHBondContact O-N 3.48Å | ||
| 160 | S | 47.6 | Very low | 57.6 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 40% | 0.399 | 59% | 0.592 | S | S | . | * | trans | -136.1 | 69.9 | 158.5 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | E158 V162 E163 | E158-S160 PolarHBondContact O-N 3.32Å; S160-V162 PolarHBondContact O-N 2.96Å; S160-E163 PolarHBondContact O-N 3.39Å | ||
| 161 | D | 52.8 | Low | 58.4 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 27.2 | 162.1 | -76.2 | -43.4 | 0 | 0 | 0 | 112.8 | K164 | D161-K164 IonicContact OD1-NZ 3.65Å; D161-K164 PolarHBondContact OD1-NZ 3.42Å |
| 162 | V | 51.6 | Low | 59.1 | Low | 137 Ų | 137 | 114.4 Ų | 114.4 | 83% | 0.83 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -11 | -178.7 | -174 | 0 | 0 | 0 | 0 | 112.5 | S160 | S160-V162 PolarHBondContact O-N 2.96Š|
| 163 | E | 50.4 | Low | 60.1 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 72% | 0.715 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -110 | 4.2 | -178.4 | -75.1 | -170 | 153.5 | 0 | 0 | 115.9 | S160 E165 | S160-E163 PolarHBondContact O-N 3.39Å; E163-E165 PolarHBondContact O-N 2.82Å; E163-E165 VanDerWaalsContact O-N 3.09Å |
| 164 | K | 53.1 | Low | 61.4 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 0.8 | -176.6 | -83.9 | 174.6 | -168.8 | 145.6 | 0 | 115.8 | D161 | D161-K164 IonicContact OD1-NZ 3.65Å; D161-K164 PolarHBondContact OD1-NZ 3.42Å |
| 165 | E | 55.6 | Low | 62.9 | Low | 190 Ų | 190 | 118.5 Ų | 118.5 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 6.3 | -175.2 | -69.3 | -159.6 | 155.9 | 0 | 0 | 115.6 | E163 | E163-E165 PolarHBondContact O-N 2.82Å; E163-E165 VanDerWaalsContact O-N 3.09Å |
| 166 | K | 54.7 | Low | 64.5 | Low | 172 Ų | 172 | 117 Ų | 117 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | trans | -149.6 | 34.3 | -174.6 | -137.8 | 173 | -178.1 | -173.7 | 0 | 118.4 | N168 | K166-N168 PolarHBondContact O-N 2.72Š| ||
| 167 | L | 55.8 | Low | 66.2 | Low | 85 Ų | 85 | 119.4 Ų | 119.4 | 45% | 0.445 | 60% | 0.601 | S | S | . | * | trans | -93.7 | 86.4 | 165.5 | -60.4 | 178.5 | 0 | 0 | 0 | 109.3 | E172 R173 | L167-E172 WeakPolarHBondContact CA-OE2 3.31Å; L167-E172 HydrophobicContact CB-CB 4.09Å; L167-E172 HydrophobicContact CD2-CB 4.4Å; L167-E172 VanDerWaalsContact CD2-OE2 3.32Å; L167-E172 WeakPolarHBondContact CD2-OE2 3.37Å; L167-R173 PolarHBondContact O-NE 3.06Å | ||
| 168 | N | 62.3 | Low | 68 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | trans | -96.1 | 5 | -172.5 | -83.3 | -9.1 | 0 | 0 | 0 | 114.1 | K166 | K166-N168 PolarHBondContact O-N 2.72Š| ||
| 169 | S | 73.4 | Confident | 69.9 | Low | 47 Ų | 47 | 116.7 Ų | 116.7 | 33% | 0.329 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -95 | 135.9 | 168.4 | -179.4 | 0 | 0 | 0 | 0 | 111 | D171 E172 R173 | S169-D171 PolarHBondContact O-N 2.85Å; S169-D171 PolarHBondContact OG-N 3.28Å; S169-E172 PolarHBondContact O-N 3.45Å; S169-E172 VanDerWaalsContact O-N 3.11Å; S169-R173 PolarHBondContact O-N 3.41Å |
| 170 | D | 80.2 | Confident | 72.3 | Confident | 116 Ų | 116 | 118 Ų | 118 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59 | -27.9 | 175.3 | -72.8 | -30.3 | 0 | 0 | 0 | 112.2 | S174 | D170-S174 WeakPolarHBondContact O-CB 3.43Å; D170-S174 PolarHBondContact O-N 3.34Å; D170-S174 PolarHBondContact O-OG 3Å |
| 171 | D | 82.1 | Confident | 74.7 | Confident | 128 Ų | 128 | 120 Ų | 120 | 68% | 0.684 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -39.9 | 176.1 | -67.2 | -26.5 | 0 | 0 | 0 | 112.2 | S169 S174 K175 | S169-D171 PolarHBondContact O-N 2.85Å; S169-D171 PolarHBondContact OG-N 3.28Å; D171-S174 WeakPolarHBondContact O-CB 3.47Å; D171-S174 PolarHBondContact O-N 3.46Å; D171-K175 PolarHBondContact O-N 2.87Å |
| 172 | E | 78.9 | Confident | 76.7 | Confident | 86 Ų | 86 | 122 Ų | 122 | 40% | 0.402 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.4 | -40.3 | 179.3 | -68 | 175.9 | 160.8 | 0 | 0 | 111.2 | L167 S169 S174 K175 A176 | L167-E172 WeakPolarHBondContact CA-OE2 3.31Å; L167-E172 HydrophobicContact CB-CB 4.09Å; L167-E172 HydrophobicContact CD2-CB 4.4Å; L167-E172 VanDerWaalsContact CD2-OE2 3.32Å; L167-E172 WeakPolarHBondContact CD2-OE2 3.37Å; S169-E172 PolarHBondContact O-N 3.45Å; S169-E172 VanDerWaalsContact O-N 3.11Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.17Å; E172-K175 PolarHBondContact O-N 2.89Å; E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.3Å |
| 173 | R | 82.7 | Confident | 78.8 | Confident | 141 Ų | 141 | 119.3 Ų | 119.3 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 172.8 | -68.4 | 179.1 | 179 | 180 | -2.5 | 111.1 | L167 S169 A176 Y177 | L167-R173 PolarHBondContact O-NE 3.06Å; S169-R173 PolarHBondContact O-N 3.41Å; R173-A176 PolarHBondContact O-N 2.92Å; R173-Y177 WeakPolarHBondContact O-CB 3.14Å; R173-Y177 PolarHBondContact O-N 3.1Å |
| 174 | S | 85.9 | Confident | 81 | Confident | 59 Ų | 59 | 116.5 Ų | 116.5 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | D170 D171 E172 Y177 W178 | D170-S174 WeakPolarHBondContact O-CB 3.43Å; D170-S174 PolarHBondContact O-N 3.34Å; D170-S174 PolarHBondContact O-OG 3Å; D171-S174 WeakPolarHBondContact O-CB 3.47Å; D171-S174 PolarHBondContact O-N 3.46Å; E172-S174 VanDerWaalsContact C-N 3.32Å; E172-S174 PolarHBondContact O-N 3.17Å; S174-Y177 PolarHBondContact O-N 3.05Å; S174-W178 PolarHBondContact O-N 3.01Å |
| 175 | K | 89.4 | Confident | 83.1 | Confident | 150 Ų | 150 | 113.9 Ų | 113.9 | 65% | 0.652 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 176.8 | -171.9 | 179.1 | 177.6 | -174.8 | 0 | 112.1 | D171 E172 Y177 W178 E179 | D171-K175 PolarHBondContact O-N 2.87Å; E172-K175 PolarHBondContact O-N 2.89Å; K175-Y177 VanDerWaalsContact C-N 3.33Å; K175-Y177 PolarHBondContact O-N 3.32Å; K175-W178 PolarHBondContact O-N 2.99Å; K175-E179 PolarHBondContact O-N 2.88Å |
| 176 | A | 89.5 | Confident | 85 | Confident | 40 Ų | 40 | 108.2 Ų | 108.2 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E172 R173 R180 | E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.3Å; R173-A176 PolarHBondContact O-N 2.92Å; A176-R180 PolarHBondContact O-N 2.99Å; A176-R180 VanDerWaalsContact O-N 3.08Å |
| 177 | Y | 93.6 | Very high | 86.9 | Confident | 135 Ų | 135 | 102.6 Ų | 102.6 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 174.2 | 172.4 | -101.8 | 0 | 0 | 0 | 111.8 | R173 S174 K175 E179 R180 R181 | R173-Y177 WeakPolarHBondContact O-CB 3.14Å; R173-Y177 PolarHBondContact O-N 3.1Å; S174-Y177 PolarHBondContact O-N 3.05Å; K175-Y177 VanDerWaalsContact C-N 3.33Å; K175-Y177 PolarHBondContact O-N 3.32Å; Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 3.47Å; Y177-R180 PolarHBondContact O-N 3.38Å; Y177-R181 WeakPolarHBondContact O-CB 3.43Å; Y177-R181 PolarHBondContact O-N 3.38Å |
| 178 | W | 92.2 | Very high | 88.8 | Confident | 160 Ų | 160 | 100.2 Ų | 100.2 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.4 | -36.2 | -179.8 | -75.4 | 121.3 | 0 | 0 | 0 | 112.7 | S174 K175 R181 R182 | S174-W178 PolarHBondContact O-N 3.01Å; K175-W178 PolarHBondContact O-N 2.99Å; W178-R181 PolarHBondContact O-N 2.95Å; W178-R182 WeakPolarHBondContact O-CB 3.18Å; W178-R182 PolarHBondContact O-N 3.45Å |
| 179 | E | 92.2 | Very high | 90.5 | Very high | 79 Ų | 79 | 100.5 Ų | 100.5 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 177.1 | -161.2 | 158 | -156.8 | 0 | 0 | 112.3 | K175 Y177 R181 R182 R183 | K175-E179 PolarHBondContact O-N 2.88Å; Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 3.47Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.47Å; E179-R182 PolarHBondContact O-N 2.93Å; E179-R183 WeakPolarHBondContact O-CG 3.28Å; E179-R183 PolarHBondContact O-N 3.26Å; E179-R183 IonicContact OE1-NH2 2.67Å; E179-R183 IonicContact OE2-NH2 2.72Å |
| 180 | R | 94.3 | Very high | 91.3 | Very high | 150 Ų | 150 | 100.1 Ų | 100.1 | 57% | 0.566 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 171.2 | -167.4 | -179.2 | -55.8 | -78.6 | -6.9 | 111.6 | A176 Y177 R182 R183 N184 | A176-R180 PolarHBondContact O-N 2.99Å; A176-R180 VanDerWaalsContact O-N 3.08Å; Y177-R180 PolarHBondContact O-N 3.38Å; R180-R182 VanDerWaalsContact C-N 3.34Å; R180-R182 PolarHBondContact O-N 3.43Å; R180-R183 PolarHBondContact O-N 2.92Å; R180-N184 WeakPolarHBondContact O-CB 3.32Å; R180-N184 PolarHBondContact O-N 3.35Å |
| 181 | R | 97.6 | Very high | 92.1 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.2 | -171.7 | 70.6 | -172.6 | 85.3 | 3.9 | 111.7 | Y177 W178 E179 N185 | Y177-R181 WeakPolarHBondContact O-CB 3.43Å; Y177-R181 PolarHBondContact O-N 3.38Å; W178-R181 PolarHBondContact O-N 2.95Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.47Å; R181-N185 PolarHBondContact NH1-ND2 3.45Å; R181-N185 PolarHBondContact NH1-OD1 2.87Å; R181-N185 PolarHBondContact NH2-OD1 3.33Å; R181-N185 PolarHBondContact O-N 3.37Å; R181-N185 PolarHBondContact O-ND2 2.91Å |
| 182 | R | 95.7 | Very high | 92.9 | Very high | 177 Ų | 177 | 99.1 Ų | 99.1 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.8 | -47.8 | 175.7 | -168.9 | -176.3 | -60.6 | 171 | 1 | 111.8 | W178 E179 R180 N184 N185 N186 | W178-R182 WeakPolarHBondContact O-CB 3.18Å; W178-R182 PolarHBondContact O-N 3.45Å; E179-R182 PolarHBondContact O-N 2.93Å; R180-R182 VanDerWaalsContact C-N 3.34Å; R180-R182 PolarHBondContact O-N 3.43Å; R182-N184 PolarHBondContact O-N 3Å; R182-N185 PolarHBondContact O-N 2.83Å; R182-N186 PolarHBondContact O-N 3.37Å |
| 183 | R | 94.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 31% | 0.306 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 176 | -68.6 | -170.4 | -157.4 | 91.4 | -7.1 | 111.5 | E158 E179 R180 N185 N186 A187 | E158-R183 IonicContact OE1-NH2 3.82Å; E158-R183 IonicContact OE2-CZ 3.73Å; E158-R183 IonicContact OE2-NE 2.82Å; E158-R183 IonicContact OE2-NH2 3.02Å; E158-R183 PolarHBondContact OE2-NH2 2.8Å; E179-R183 WeakPolarHBondContact O-CG 3.28Å; E179-R183 PolarHBondContact O-N 3.26Å; E179-R183 IonicContact OE1-NH2 2.67Å; E179-R183 IonicContact OE2-NH2 2.72Å; R180-R183 PolarHBondContact O-N 2.92Å; R183-N185 PolarHBondContact O-N 3.46Å; R183-N186 PolarHBondContact O-N 3.18Å; R183-A187 WeakPolarHBondContact O-CB 3.31Å; R183-A187 PolarHBondContact O-N 3Å |
| 184 | N | 97.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177.5 | 178.9 | -95.2 | 0 | 0 | 0 | 112.8 | R180 R182 N186 A187 A188 | R180-N184 WeakPolarHBondContact O-CB 3.32Å; R180-N184 PolarHBondContact O-N 3.35Å; R182-N184 PolarHBondContact O-N 3Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 PolarHBondContact O-N 2.92Å; N184-A187 PolarHBondContact O-N 3.45Å; N184-A188 VanDerWaalsContact O-CB 3.27Å; N184-A188 WeakPolarHBondContact O-CB 3.31Å; N184-A188 PolarHBondContact O-N 3.33Å |
| 185 | N | 97.5 | Very high | 94.6 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 173.8 | -85.9 | -26.2 | 0 | 0 | 0 | 112.1 | R181 R182 R183 A188 K189 | R181-N185 PolarHBondContact NH1-ND2 3.45Å; R181-N185 PolarHBondContact NH1-OD1 2.87Å; R181-N185 PolarHBondContact NH2-OD1 3.33Å; R181-N185 PolarHBondContact O-N 3.37Å; R181-N185 PolarHBondContact O-ND2 2.91Å; R182-N185 PolarHBondContact O-N 2.83Å; R183-N185 PolarHBondContact O-N 3.46Å; N185-A188 PolarHBondContact O-N 3.2Å; N185-K189 PolarHBondContact O-N 3.23Å |
| 186 | N | 94.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 95.3 Ų | 95.3 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -51.1 | 175 | -171.5 | -12 | 0 | 0 | 0 | 110.5 | D151 R182 R183 N184 A188 K189 R190 | D151-N186 PolarHBondContact OD2-ND2 2.95Å; R182-N186 PolarHBondContact O-N 3.37Å; R183-N186 PolarHBondContact O-N 3.18Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 PolarHBondContact O-N 2.92Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.27Å; N186-K189 WeakPolarHBondContact O-CB 3.34Å; N186-K189 PolarHBondContact O-N 3.01Å; N186-R190 PolarHBondContact O-N 3.48Å |
| 187 | A | 94.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 95.1 Ų | 95.1 | 45% | 0.446 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.2 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R183 N184 R190 S191 | R183-A187 WeakPolarHBondContact O-CB 3.31Å; R183-A187 PolarHBondContact O-N 3Å; N184-A187 PolarHBondContact O-N 3.45Å; A187-R190 PolarHBondContact O-N 3.39Å; A187-S191 WeakPolarHBondContact O-CB 3.3Å; A187-S191 PolarHBondContact O-N 2.89Å |
| 188 | A | 96.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 95.4 Ų | 95.4 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | N184 N185 N186 S191 R192 | N184-A188 VanDerWaalsContact O-CB 3.27Å; N184-A188 WeakPolarHBondContact O-CB 3.31Å; N184-A188 PolarHBondContact O-N 3.33Å; N185-A188 PolarHBondContact O-N 3.2Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.27Å; A188-S191 PolarHBondContact O-N 3.15Å; A188-R192 VanDerWaalsContact O-CG 3.31Å; A188-R192 WeakPolarHBondContact O-CG 3.5Å; A188-R192 PolarHBondContact O-N 3.33Å |
| 189 | K | 96.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 92.9 Ų | 92.9 | 55% | 0.548 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 173.5 | -174.8 | -179.9 | 176.1 | -176.2 | 0 | 110.8 | N185 N186 S191 R192 E193 | N185-K189 PolarHBondContact O-N 3.23Å; N186-K189 WeakPolarHBondContact O-CB 3.34Å; N186-K189 PolarHBondContact O-N 3.01Å; K189-S191 VanDerWaalsContact C-N 3.35Å; K189-S191 PolarHBondContact O-N 3.02Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 WeakPolarHBondContact O-CG 3.24Å; K189-E193 PolarHBondContact O-N 2.95Å |
| 190 | R | 91.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 93 Ų | 93 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 175.5 | 173.3 | 174.9 | -81.9 | 138.1 | 20.4 | 111.8 | Y144 H147 V148 D151 D152 N186 A187 R192 E193 A194 | Y144-R190 WeakPolarHBondContact OH-CG 3.37Å; Y144-R190 PolarHBondContact OH-O 3.45Å; H147-R190 PolarHBondContact O-NH2 2.97Å; V148-R190 VanDerWaalsContact CA-CZ 3.46Å; V148-R190 HydrophobicContact CG2-CG 4.47Å; V148-R190 PolarHBondContact O-NH1 2.83Å; D151-R190 VanDerWaalsContact CG-NH2 3.34Å; D151-R190 IonicContact OD2-CZ 2.8Å; D151-R190 IonicContact OD2-NH1 2.7Å; D151-R190 IonicContact OD2-NH2 3.59Å; D151-R190 PolarHBondContact OD2-NH2 3.13Å; D152-R190 IonicContact OD1-NH1 3.81Å; D152-R190 PolarHBondContact OD1-NH1 3.16Å; N186-R190 PolarHBondContact O-N 3.48Å; A187-R190 PolarHBondContact O-N 3.39Å; R190-R192 PolarHBondContact O-N 3.1Å; R190-E193 PolarHBondContact O-N 3.02Å; R190-A194 PolarHBondContact O-N 3.22Å |
| 191 | S | 96.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 90.3 Ų | 90.3 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 178.2 | 177 | 0 | 0 | 0 | 0 | 112 | A187 A188 K189 A194 R195 | A187-S191 WeakPolarHBondContact O-CB 3.3Å; A187-S191 PolarHBondContact O-N 2.89Å; A188-S191 PolarHBondContact O-N 3.15Å; K189-S191 VanDerWaalsContact C-N 3.35Å; K189-S191 PolarHBondContact O-N 3.02Å; S191-A194 PolarHBondContact O-N 3.2Å; S191-R195 PolarHBondContact O-N 3.03Å; S191-R195 VanDerWaalsContact O-N 3.11Å |
| 192 | R | 97.9 | Very high | 94.2 | Very high | 163 Ų | 163 | 90.5 Ų | 90.5 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 174.1 | -72.9 | 172.9 | 177.2 | 177 | -0.9 | 112.1 | A188 K189 R190 R196 | A188-R192 VanDerWaalsContact O-CG 3.31Å; A188-R192 WeakPolarHBondContact O-CG 3.5Å; A188-R192 PolarHBondContact O-N 3.33Å; K189-R192 PolarHBondContact O-N 2.88Å; R190-R192 PolarHBondContact O-N 3.1Å; R192-R196 PolarHBondContact O-N 3.34Å; R192-R196 VanDerWaalsContact O-N 3.1Å; R192-R196 PolarHBondContact O-NE 3.03Å |
| 193 | E | 94.8 | Very high | 94 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 177.1 | -71.4 | 172.9 | -176.1 | 0 | 0 | 112.3 | Y144 K189 R190 R195 R196 A197 | Y144-E193 HydrophobicContact CE2-CB 3.89Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 WeakPolarHBondContact O-CG 3.24Å; K189-E193 PolarHBondContact O-N 2.95Å; R190-E193 PolarHBondContact O-N 3.02Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.49Å; E193-R196 VanDerWaalsContact CG-NH2 3.3Å; E193-R196 PolarHBondContact O-N 3.48Å; E193-A197 WeakPolarHBondContact O-CB 3.32Å; E193-A197 PolarHBondContact O-N 3.15Å |
| 194 | A | 92.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y144 R190 S191 A197 K198 | Y144-A194 HydrophobicContact CE1-CB 4.17Å; Y144-A194 WeakPolarHBondContact OH-CA 3.49Å; Y144-A194 WeakPolarHBondContact OH-CB 3.46Å; Y144-A194 PolarHBondContact OH-N 2.99Å; R190-A194 PolarHBondContact O-N 3.22Å; S191-A194 PolarHBondContact O-N 3.2Å; A194-A197 PolarHBondContact O-N 3.38Å; A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 PolarHBondContact O-N 3.42Å |
| 195 | R | 96.2 | Very high | 93.2 | Very high | 128 Ų | 128 | 87.9 Ų | 87.9 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 178.2 | -170.4 | -171 | -61.9 | 85.8 | 6.2 | 111.1 | S191 E193 A197 K198 E199 | S191-R195 PolarHBondContact O-N 3.03Å; S191-R195 VanDerWaalsContact O-N 3.11Å; E193-R195 VanDerWaalsContact C-N 3.35Å; E193-R195 PolarHBondContact O-N 3.49Å; R195-A197 PolarHBondContact O-N 3.43Å; R195-K198 WeakPolarHBondContact O-CB 3.42Å; R195-K198 PolarHBondContact O-N 3.05Å; R195-E199 WeakPolarHBondContact CG-OE1 3.48Å; R195-E199 WeakPolarHBondContact O-CG 3.48Å; R195-E199 PolarHBondContact O-N 2.85Å |
| 196 | R | 95.3 | Very high | 92.9 | Very high | 123 Ų | 123 | 85.9 Ų | 85.9 | 46% | 0.464 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.7 | -82.3 | -176.8 | -82 | 128.2 | -4.9 | 112.3 | R192 E193 K198 E199 E200 | R192-R196 PolarHBondContact O-N 3.34Å; R192-R196 VanDerWaalsContact O-N 3.1Å; R192-R196 PolarHBondContact O-NE 3.03Å; E193-R196 VanDerWaalsContact CG-NH2 3.3Å; E193-R196 PolarHBondContact O-N 3.48Å; R196-K198 VanDerWaalsContact C-N 3.3Å; R196-K198 PolarHBondContact O-N 2.7Å; R196-E199 PolarHBondContact O-N 2.89Å; R196-E200 WeakPolarHBondContact O-CG 3.4Å; R196-E200 PolarHBondContact O-N 2.92Å |
| 197 | A | 89.2 | Confident | 92.7 | Very high | 35 Ų | 35 | 84.9 Ų | 84.9 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E193 A194 R195 E200 E201 | E193-A197 WeakPolarHBondContact O-CB 3.32Å; E193-A197 PolarHBondContact O-N 3.15Å; A194-A197 PolarHBondContact O-N 3.38Å; R195-A197 PolarHBondContact O-N 3.43Å; A197-E200 PolarHBondContact O-N 3.3Å; A197-E201 PolarHBondContact O-N 3.31Å |
| 198 | K | 90 | Very high | 92.3 | Very high | 141 Ų | 141 | 86.8 Ų | 86.8 | 61% | 0.613 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 174.6 | -174.5 | 179.5 | 179.8 | -178.9 | 0 | 112 | A194 R195 R196 E201 I202 | A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 PolarHBondContact O-N 3.42Å; R195-K198 WeakPolarHBondContact O-CB 3.42Å; R195-K198 PolarHBondContact O-N 3.05Å; R196-K198 VanDerWaalsContact C-N 3.3Å; R196-K198 PolarHBondContact O-N 2.7Å; K198-E201 PolarHBondContact O-N 2.77Å; K198-I202 HydrophobicContact CG-CD1 4.14Å; K198-I202 VanDerWaalsContact O-CG1 3.28Å; K198-I202 WeakPolarHBondContact O-CG1 3.45Å; K198-I202 PolarHBondContact O-N 2.77Å |
| 199 | E | 94.5 | Very high | 92.1 | Very high | 107 Ų | 107 | 89.7 Ų | 89.7 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.2 | -71.3 | 164.3 | -173.9 | 0 | 0 | 111.3 | R195 R196 I202 A203 | R195-E199 WeakPolarHBondContact CG-OE1 3.48Å; R195-E199 WeakPolarHBondContact O-CG 3.48Å; R195-E199 PolarHBondContact O-N 2.85Å; R196-E199 PolarHBondContact O-N 2.89Å; E199-I202 PolarHBondContact O-N 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.4Å; E199-A203 PolarHBondContact O-N 3.45Å |
| 200 | E | 91.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 90.1 Ų | 90.1 | 38% | 0.379 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 174 | -73.8 | 176.2 | -169.4 | 0 | 0 | 112.6 | R140 R196 A197 A203 L204 | R140-E200 IonicContact CZ-OE2 3.94Å; R140-E200 IonicContact NH1-OE2 3.5Å; R140-E200 PolarHBondContact NH1-OE2 3.33Å; R196-E200 WeakPolarHBondContact O-CG 3.4Å; R196-E200 PolarHBondContact O-N 2.92Å; A197-E200 PolarHBondContact O-N 3.3Å; E200-A203 PolarHBondContact O-N 3.36Å; E200-L204 WeakPolarHBondContact O-CB 3.49Å; E200-L204 WeakPolarHBondContact O-CG 3.43Å; E200-L204 PolarHBondContact O-N 3.33Å |
| 201 | E | 88.6 | Confident | 91.8 | Very high | 94 Ų | 94 | 93 Ų | 93 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.1 | -178.5 | 179.7 | 179.1 | 0 | 0 | 111.6 | A197 K198 L204 R205 | A197-E201 PolarHBondContact O-N 3.31Å; K198-E201 PolarHBondContact O-N 2.77Å; E201-L204 PolarHBondContact O-N 3.48Å; E201-R205 WeakPolarHBondContact O-CB 3.5Å; E201-R205 PolarHBondContact O-N 3.37Å |
| 202 | I | 91.2 | Very high | 91.6 | Very high | 103 Ų | 103 | 92 Ų | 92 | 53% | 0.528 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.4 | -68.4 | 165.7 | 0 | 0 | 0 | 110.4 | K198 E199 L204 R205 A206 | K198-I202 HydrophobicContact CG-CD1 4.14Å; K198-I202 VanDerWaalsContact O-CG1 3.28Å; K198-I202 WeakPolarHBondContact O-CG1 3.45Å; K198-I202 PolarHBondContact O-N 2.77Å; E199-I202 PolarHBondContact O-N 3.23Å; I202-L204 PolarHBondContact O-N 3.21Å; I202-R205 PolarHBondContact O-N 2.89Å; I202-A206 WeakPolarHBondContact O-CB 3.46Å; I202-A206 PolarHBondContact O-N 3.02Å |
| 203 | A | 91.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E199 E200 A206 A207 | E199-A203 WeakPolarHBondContact O-CB 3.4Å; E199-A203 PolarHBondContact O-N 3.45Å; E200-A203 PolarHBondContact O-N 3.36Å; A203-A206 PolarHBondContact O-N 3.11Å; A203-A207 PolarHBondContact O-N 3.44Å |
| 204 | L | 86.4 | Confident | 91.4 | Very high | 63 Ų | 63 | 90.7 Ų | 90.7 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.6 | -74.5 | 166.5 | 0 | 0 | 0 | 112.3 | I133 L137 E200 E201 I202 A206 A207 Y208 | I133-L204 HydrophobicContact CG2-CD2 4.29Å; L137-L204 HydrophobicContact CD1-CB 3.99Å; L137-L204 HydrophobicContact CD1-CD1 3.97Å; L137-L204 HydrophobicContact CD2-CD1 3.3Å; L137-L204 HydrophobicContact CG-CD1 3.83Å; E200-L204 WeakPolarHBondContact O-CB 3.49Å; E200-L204 WeakPolarHBondContact O-CG 3.43Å; E200-L204 PolarHBondContact O-N 3.33Å; E201-L204 PolarHBondContact O-N 3.48Å; I202-L204 PolarHBondContact O-N 3.21Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A207 PolarHBondContact O-N 2.85Å; L204-Y208 WeakPolarHBondContact O-CB 3.48Å; L204-Y208 PolarHBondContact O-N 3.4Å |
| 205 | R | 88.7 | Confident | 91.4 | Very high | 177 Ų | 177 | 91.7 Ų | 91.7 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 174.7 | -176.2 | 176.2 | 178.7 | -177.1 | -1.4 | 111.4 | E201 I202 Y208 L209 | E201-R205 WeakPolarHBondContact O-CB 3.5Å; E201-R205 PolarHBondContact O-N 3.37Å; I202-R205 PolarHBondContact O-N 2.89Å; R205-Y208 PolarHBondContact O-N 3.49Å; R205-L209 HydrophobicContact CG-CD1 4.15Å; R205-L209 VanDerWaalsContact O-CG 3.3Å; R205-L209 WeakPolarHBondContact O-CG 3.31Å; R205-L209 PolarHBondContact O-N 3.37Å |
| 206 | A | 93 | Very high | 91.4 | Very high | 39 Ų | 39 | 89.9 Ų | 89.9 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | I202 A203 L204 Y208 L209 E210 | I202-A206 WeakPolarHBondContact O-CB 3.46Å; I202-A206 PolarHBondContact O-N 3.02Å; A203-A206 PolarHBondContact O-N 3.11Å; L204-A206 VanDerWaalsContact C-N 3.34Å; A206-Y208 VanDerWaalsContact C-N 3.31Å; A206-Y208 PolarHBondContact O-N 3.23Å; A206-L209 PolarHBondContact O-N 3.45Å; A206-L209 VanDerWaalsContact O-N 3.1Å; A206-E210 WeakPolarHBondContact O-CG 3.28Å; A206-E210 PolarHBondContact O-N 3.47Å |
| 207 | A | 88.7 | Confident | 91.4 | Very high | 49 Ų | 49 | 87.8 Ų | 87.8 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A203 L204 E210 Q211 | A203-A207 PolarHBondContact O-N 3.44Å; L204-A207 PolarHBondContact O-N 2.85Å; A207-E210 PolarHBondContact O-N 2.72Å; A207-Q211 PolarHBondContact O-N 2.8Å |
| 208 | Y | 87.6 | Confident | 91.7 | Very high | 95 Ų | 95 | 87.4 Ų | 87.4 | 37% | 0.373 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.1 | 173.2 | -101.9 | 0 | 0 | 0 | 112.3 | L204 R205 A206 Q211 E212 | L204-Y208 WeakPolarHBondContact O-CB 3.48Å; L204-Y208 PolarHBondContact O-N 3.4Å; R205-Y208 PolarHBondContact O-N 3.49Å; A206-Y208 VanDerWaalsContact C-N 3.31Å; A206-Y208 PolarHBondContact O-N 3.23Å; Y208-Q211 PolarHBondContact O-N 3.1Å; Y208-E212 HydrophobicContact CE1-CG 4.07Å; Y208-E212 HydrophobicContact CE2-CG 3.88Å; Y208-E212 PolarHBondContact O-N 3.3Å |
| 209 | L | 91.2 | Very high | 92 | Very high | 96 Ų | 96 | 85.4 Ų | 85.4 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 178.9 | -71.1 | 172.8 | 0 | 0 | 0 | 112.1 | R205 A206 E212 N213 | R205-L209 HydrophobicContact CG-CD1 4.15Å; R205-L209 VanDerWaalsContact O-CG 3.3Å; R205-L209 WeakPolarHBondContact O-CG 3.31Å; R205-L209 PolarHBondContact O-N 3.37Å; A206-L209 PolarHBondContact O-N 3.45Å; A206-L209 VanDerWaalsContact O-N 3.1Å; L209-E212 PolarHBondContact O-N 2.95Å; L209-N213 WeakPolarHBondContact O-CB 3.5Å; L209-N213 PolarHBondContact O-N 3.34Å |
| 210 | E | 91.9 | Very high | 92 | Very high | 135 Ų | 135 | 83.7 Ų | 83.7 | 63% | 0.631 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 173 | -73.5 | 170 | -173.2 | 0 | 0 | 111.2 | A206 A207 N213 L214 | A206-E210 WeakPolarHBondContact O-CG 3.28Å; A206-E210 PolarHBondContact O-N 3.47Å; A207-E210 PolarHBondContact O-N 2.72Å; E210-N213 PolarHBondContact O-N 3.48Å; E210-L214 WeakPolarHBondContact O-CB 3.48Å; E210-L214 PolarHBondContact O-N 2.96Å |
| 211 | Q | 91 | Very high | 92.2 | Very high | 101 Ų | 101 | 82.1 Ų | 82.1 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.2 | -176.6 | -178 | 8.1 | 0 | 0 | 112.2 | A207 Y208 L214 K215 | A207-Q211 PolarHBondContact O-N 2.8Å; Y208-Q211 PolarHBondContact O-N 3.1Å; Q211-L214 PolarHBondContact O-N 2.89Å; Q211-K215 PolarHBondContact O-N 3.29Å; Q211-K215 VanDerWaalsContact O-N 3.09Å |
| 212 | E | 91.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 81.5 Ų | 81.5 | 17% | 0.173 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 178.5 | -75.1 | -63.5 | 123.1 | 0 | 0 | 111.7 | Y208 L209 L214 K215 L216 | Y208-E212 HydrophobicContact CE1-CG 4.07Å; Y208-E212 HydrophobicContact CE2-CG 3.88Å; Y208-E212 PolarHBondContact O-N 3.3Å; L209-E212 PolarHBondContact O-N 2.95Å; E212-L214 PolarHBondContact O-N 3.45Å; E212-K215 PolarHBondContact O-N 2.85Å; E212-K215 IonicContact OE1-NZ 3.08Å; E212-K215 PolarHBondContact OE1-NZ 3.44Å; E212-K215 VanDerWaalsContact OE1-NZ 3.08Å; E212-K215 IonicContact OE2-NZ 2.93Å; E212-K215 PolarHBondContact OE2-NZ 3.39Å; E212-L216 WeakPolarHBondContact O-CB 3.45Å; E212-L216 VanDerWaalsContact O-CG 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.35Å; E212-L216 PolarHBondContact O-N 3.37Å |
| 213 | N | 95 | Very high | 92.7 | Very high | 104 Ų | 104 | 81.8 Ų | 81.8 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 175 | -175.4 | -79.4 | 0 | 0 | 0 | 111.6 | L209 E210 L216 T217 | L209-N213 WeakPolarHBondContact O-CB 3.5Å; L209-N213 PolarHBondContact O-N 3.34Å; E210-N213 PolarHBondContact O-N 3.48Å; N213-L216 PolarHBondContact O-N 2.87Å; N213-T217 VanDerWaalsContact O-CB 3.31Å; N213-T217 WeakPolarHBondContact O-CB 3.4Å; N213-T217 PolarHBondContact O-N 2.98Å; N213-T217 PolarHBondContact O-OG1 2.87Å; N213-T217 PolarHBondContact OD1-OG1 3.06Å |
| 214 | L | 92.8 | Very high | 93 | Very high | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 176.1 | -171.9 | 79.8 | 0 | 0 | 0 | 111.2 | E210 Q211 E212 T217 A218 | E210-L214 WeakPolarHBondContact O-CB 3.48Å; E210-L214 PolarHBondContact O-N 2.96Å; Q211-L214 PolarHBondContact O-N 2.89Å; E212-L214 PolarHBondContact O-N 3.45Å; L214-T217 PolarHBondContact O-N 3.21Å; L214-A218 PolarHBondContact O-N 3.01Å |
| 215 | K | 93.7 | Very high | 93.4 | Very high | 59 Ų | 59 | 88.5 Ų | 88.5 | 26% | 0.257 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.6 | 171.1 | -178.6 | 157 | -154.2 | 0 | 112.1 | V126 Q211 E212 A218 Q219 | V126-K215 HydrophobicContact CG1-CD 3.81Å; V126-K215 VanDerWaalsContact CG1-CE 3.47Å; V126-K215 VanDerWaalsContact CG1-NZ 3.29Å; Q211-K215 PolarHBondContact O-N 3.29Å; Q211-K215 VanDerWaalsContact O-N 3.09Å; E212-K215 PolarHBondContact O-N 2.85Å; E212-K215 IonicContact OE1-NZ 3.08Å; E212-K215 PolarHBondContact OE1-NZ 3.44Å; E212-K215 VanDerWaalsContact OE1-NZ 3.08Å; E212-K215 IonicContact OE2-NZ 2.93Å; E212-K215 PolarHBondContact OE2-NZ 3.39Å; K215-A218 PolarHBondContact O-N 3.41Å; K215-Q219 WeakPolarHBondContact O-CG 2.98Å; K215-Q219 PolarHBondContact O-N 2.95Å; K215-Q219 VanDerWaalsContact O-N 3.07Å |
| 216 | L | 95 | Very high | 93.7 | Very high | 91 Ų | 91 | 84.4 Ų | 84.4 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 176.6 | -70.7 | 172 | 0 | 0 | 0 | 111.5 | E212 N213 A218 Q219 V220 | E212-L216 WeakPolarHBondContact O-CB 3.45Å; E212-L216 VanDerWaalsContact O-CG 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.35Å; E212-L216 PolarHBondContact O-N 3.37Å; N213-L216 PolarHBondContact O-N 2.87Å; L216-A218 VanDerWaalsContact C-N 3.3Å; L216-A218 PolarHBondContact O-N 3.49Å; L216-Q219 PolarHBondContact O-N 3.47Å; L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 2.82Å |
| 217 | T | 95.8 | Very high | 93.8 | Very high | 79 Ų | 79 | 85.1 Ų | 85.1 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | N213 L214 V220 A221 | N213-T217 VanDerWaalsContact O-CB 3.31Å; N213-T217 WeakPolarHBondContact O-CB 3.4Å; N213-T217 PolarHBondContact O-N 2.98Å; N213-T217 PolarHBondContact O-OG1 2.87Å; N213-T217 PolarHBondContact OD1-OG1 3.06Å; L214-T217 PolarHBondContact O-N 3.21Å; T217-V220 PolarHBondContact O-N 3.49Å; T217-A221 WeakPolarHBondContact O-CB 3.4Å; T217-A221 PolarHBondContact O-N 3Å |
| 218 | A | 95.2 | Very high | 94.2 | Very high | 26 Ų | 26 | 85.5 Ų | 85.5 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y70 L214 K215 L216 V220 A221 V222 | Y70-A218 HydrophobicContact CE1-CB 3.92Å; L214-A218 PolarHBondContact O-N 3.01Å; K215-A218 PolarHBondContact O-N 3.41Å; L216-A218 VanDerWaalsContact C-N 3.3Å; L216-A218 PolarHBondContact O-N 3.49Å; A218-V220 PolarHBondContact O-N 3.28Å; A218-A221 WeakPolarHBondContact O-CB 3.41Å; A218-A221 PolarHBondContact O-N 3.34Å; A218-V222 WeakPolarHBondContact O-CG2 3.32Å; A218-V222 PolarHBondContact O-N 2.67Å; A218-V222 VanDerWaalsContact O-N 3.08Å |
| 219 | Q | 95.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 88 Ų | 88 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.3 | -69.8 | 174.7 | 20.6 | 0 | 0 | 112 | K215 L216 A221 V222 L223 | K215-Q219 WeakPolarHBondContact O-CG 2.98Å; K215-Q219 PolarHBondContact O-N 2.95Å; K215-Q219 VanDerWaalsContact O-N 3.07Å; L216-Q219 PolarHBondContact O-N 3.47Å; Q219-A221 VanDerWaalsContact C-N 3.32Å; Q219-A221 PolarHBondContact O-N 3.27Å; Q219-V222 PolarHBondContact O-N 3.5Å; Q219-L223 WeakPolarHBondContact O-CG 3.4Å; Q219-L223 PolarHBondContact O-N 3.29Å |
| 220 | V | 96.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 87.7 Ų | 87.7 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L216 T217 A218 L223 K224 | L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 2.82Å; T217-V220 PolarHBondContact O-N 3.49Å; A218-V220 PolarHBondContact O-N 3.28Å; V220-L223 PolarHBondContact O-N 3.49Å; V220-K224 HydrophobicContact CG1-CD 3.94Å; V220-K224 HydrophobicContact CG1-CG 4.27Å; V220-K224 WeakPolarHBondContact O-CB 3.43Å; V220-K224 VanDerWaalsContact O-CG 3.28Å; V220-K224 WeakPolarHBondContact O-CG 3.12Å; V220-K224 PolarHBondContact O-N 3.02Å |
| 221 | A | 95.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 86.6 Ų | 86.6 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T217 A218 Q219 K224 N225 | T217-A221 WeakPolarHBondContact O-CB 3.4Å; T217-A221 PolarHBondContact O-N 3Å; A218-A221 WeakPolarHBondContact O-CB 3.41Å; A218-A221 PolarHBondContact O-N 3.34Å; Q219-A221 VanDerWaalsContact C-N 3.32Å; Q219-A221 PolarHBondContact O-N 3.27Å; A221-K224 PolarHBondContact O-N 3.41Å; A221-N225 WeakPolarHBondContact O-CB 3.35Å; A221-N225 PolarHBondContact O-N 2.82Å |
| 222 | V | 95.5 | Very high | 94.8 | Very high | 81 Ų | 81 | 84.9 Ų | 84.9 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | A218 Q219 K224 N225 E226 | A218-V222 WeakPolarHBondContact O-CG2 3.32Å; A218-V222 PolarHBondContact O-N 2.67Å; A218-V222 VanDerWaalsContact O-N 3.08Å; Q219-V222 PolarHBondContact O-N 3.5Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 2.83Å; V222-N225 WeakPolarHBondContact O-CB 3.36Å; V222-N225 PolarHBondContact O-N 3.26Å; V222-N225 VanDerWaalsContact O-N 3.09Å; V222-E226 PolarHBondContact O-N 3.48Å |
| 223 | L | 94.6 | Very high | 94.8 | Very high | 109 Ų | 109 | 88.2 Ų | 88.2 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | -179.5 | -69.2 | 173.6 | 0 | 0 | 0 | 112.5 | Q219 V220 N225 E226 S227 | Q219-L223 WeakPolarHBondContact O-CG 3.4Å; Q219-L223 PolarHBondContact O-N 3.29Å; V220-L223 PolarHBondContact O-N 3.49Å; L223-N225 VanDerWaalsContact C-N 3.34Å; L223-E226 PolarHBondContact O-N 3.23Å; L223-S227 VanDerWaalsContact O-CB 3.32Å; L223-S227 WeakPolarHBondContact O-CB 3.43Å; L223-S227 PolarHBondContact O-N 2.9Å |
| 224 | K | 97.1 | Very high | 94.7 | Very high | 149 Ų | 149 | 88.1 Ų | 88.1 | 65% | 0.648 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 174 | -77.9 | -179 | 175.6 | -177.2 | 0 | 111.7 | V220 A221 V222 A228 | V220-K224 HydrophobicContact CG1-CD 3.94Å; V220-K224 HydrophobicContact CG1-CG 4.27Å; V220-K224 WeakPolarHBondContact O-CB 3.43Å; V220-K224 VanDerWaalsContact O-CG 3.28Å; V220-K224 WeakPolarHBondContact O-CG 3.12Å; V220-K224 PolarHBondContact O-N 3.02Å; A221-K224 PolarHBondContact O-N 3.41Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 2.83Å; K224-A228 WeakPolarHBondContact O-CB 3.42Å; K224-A228 PolarHBondContact O-N 3.42Å |
| 225 | N | 95.2 | Very high | 94.6 | Very high | 113 Ų | 113 | 87.8 Ų | 87.8 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 176.4 | -174.6 | -89.6 | 0 | 0 | 0 | 111.7 | A221 V222 L223 A228 R229 | A221-N225 WeakPolarHBondContact O-CB 3.35Å; A221-N225 PolarHBondContact O-N 2.82Å; V222-N225 WeakPolarHBondContact O-CB 3.36Å; V222-N225 PolarHBondContact O-N 3.26Å; V222-N225 VanDerWaalsContact O-N 3.09Å; L223-N225 VanDerWaalsContact C-N 3.34Å; N225-A228 PolarHBondContact O-N 2.88Å; N225-R229 WeakPolarHBondContact O-CB 3.42Å; N225-R229 PolarHBondContact O-N 3.41Å |
| 226 | E | 96 | Very high | 94.2 | Very high | 91 Ų | 91 | 89.2 Ų | 89.2 | 43% | 0.425 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.9 | -70.9 | 179.6 | 178.4 | 0 | 0 | 112 | V222 L223 A228 R229 L230 | V222-E226 PolarHBondContact O-N 3.48Å; L223-E226 PolarHBondContact O-N 3.23Å; E226-A228 PolarHBondContact O-N 3.08Å; E226-R229 WeakPolarHBondContact O-CB 3.31Å; E226-R229 PolarHBondContact O-N 3.24Å; E226-L230 WeakPolarHBondContact O-CG 3.27Å; E226-L230 PolarHBondContact O-N 3.39Å |
| 227 | S | 94.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 94 Ų | 94 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L223 R229 L230 H231 | L223-S227 VanDerWaalsContact O-CB 3.32Å; L223-S227 WeakPolarHBondContact O-CB 3.43Å; L223-S227 PolarHBondContact O-N 2.9Å; S227-R229 PolarHBondContact O-N 3.48Å; S227-L230 PolarHBondContact O-N 3.04Å; S227-H231 WeakPolarHBondContact O-CB 3.47Å; S227-H231 PolarHBondContact O-N 3.47Å |
| 228 | A | 95.9 | Very high | 92.9 | Very high | 57 Ų | 57 | 96.7 Ų | 96.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K224 N225 E226 H231 C232 | K224-A228 WeakPolarHBondContact O-CB 3.42Å; K224-A228 PolarHBondContact O-N 3.42Å; N225-A228 PolarHBondContact O-N 2.88Å; E226-A228 PolarHBondContact O-N 3.08Å; A228-H231 PolarHBondContact O-N 2.68Å; A228-C232 WeakPolarHBondContact O-CB 3.4Å; A228-C232 PolarHBondContact O-N 3.09Å |
| 229 | R | 95 | Very high | 91.7 | Very high | 146 Ų | 146 | 102 Ų | 102 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | 175.8 | -173.7 | -177.5 | 74.6 | 103.4 | -2.2 | 111.3 | N225 E226 S227 C232 M233 | N225-R229 WeakPolarHBondContact O-CB 3.42Å; N225-R229 PolarHBondContact O-N 3.41Å; E226-R229 WeakPolarHBondContact O-CB 3.31Å; E226-R229 PolarHBondContact O-N 3.24Å; S227-R229 PolarHBondContact O-N 3.48Å; R229-C232 PolarHBondContact O-N 2.94Å; R229-M233 WeakPolarHBondContact O-CG 3.32Å; R229-M233 PolarHBondContact O-N 3.48Å |
| 230 | L | 94.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 103.2 Ų | 103.2 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 178 | -68.9 | 173.8 | 0 | 0 | 0 | 111.7 | E226 S227 C232 M233 L234 | E226-L230 WeakPolarHBondContact O-CG 3.27Å; E226-L230 PolarHBondContact O-N 3.39Å; S227-L230 PolarHBondContact O-N 3.04Å; L230-C232 VanDerWaalsContact C-N 3.32Å; L230-C232 PolarHBondContact O-N 2.94Å; L230-M233 PolarHBondContact O-N 3.5Å; L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.35Å |
| 231 | H | 94.1 | Very high | 88.6 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 174.1 | -80.4 | -165.8 | 0 | 0 | 0 | 111.9 | S227 A228 M233 L234 I235 | S227-H231 WeakPolarHBondContact O-CB 3.47Å; S227-H231 PolarHBondContact O-N 3.47Å; A228-H231 PolarHBondContact O-N 2.68Å; H231-M233 PolarHBondContact O-N 3.21Å; H231-L234 PolarHBondContact O-N 3.32Å; H231-I235 VanDerWaalsContact O-CG1 3.3Å; H231-I235 WeakPolarHBondContact O-CG1 3.45Å; H231-I235 PolarHBondContact O-N 2.95Å |
| 232 | C | 91.7 | Very high | 86.8 | Confident | 65 Ų | 65 | 115.1 Ų | 115.1 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61 | -43.8 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 112 | A228 R229 L230 L234 I235 N236 | A228-C232 WeakPolarHBondContact O-CB 3.4Å; A228-C232 PolarHBondContact O-N 3.09Å; R229-C232 PolarHBondContact O-N 2.94Å; L230-C232 VanDerWaalsContact C-N 3.32Å; L230-C232 PolarHBondContact O-N 2.94Å; C232-L234 VanDerWaalsContact C-N 3.35Å; C232-L234 PolarHBondContact O-N 2.95Å; C232-I235 PolarHBondContact O-N 3.29Å; C232-N236 WeakPolarHBondContact O-CB 3.36Å; C232-N236 PolarHBondContact O-N 3.05Å; C232-N236 PolarHBondContact O-ND2 3.4Å |
| 233 | M | 91.9 | Very high | 86.4 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -39.2 | 176.8 | -70.1 | 178.4 | 67.1 | 0 | 0 | 113 | R229 L230 H231 R237 | R229-M233 WeakPolarHBondContact O-CG 3.32Å; R229-M233 PolarHBondContact O-N 3.48Å; L230-M233 PolarHBondContact O-N 3.5Å; H231-M233 PolarHBondContact O-N 3.21Å; M233-R237 WeakPolarHBondContact O-CB 3.49Å; M233-R237 PolarHBondContact O-N 3.43Å |
| 234 | L | 92.2 | Very high | 85.9 | Confident | 102 Ų | 102 | 117.2 Ų | 117.2 | 53% | 0.534 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68 | -42.2 | 177.7 | -70.3 | 174.8 | 0 | 0 | 0 | 112 | L230 H231 C232 R237 N238 | L230-L234 WeakPolarHBondContact O-CG 3.4Å; L230-L234 PolarHBondContact O-N 3.35Å; H231-L234 PolarHBondContact O-N 3.32Å; C232-L234 VanDerWaalsContact C-N 3.35Å; C232-L234 PolarHBondContact O-N 2.95Å; L234-R237 PolarHBondContact O-N 3.42Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.11Å |
| 235 | I | 90.8 | Very high | 85.3 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.1 | -47.1 | 176.6 | -68.9 | 167.1 | 0 | 0 | 0 | 110.1 | H231 C232 R237 N238 Q239 | H231-I235 VanDerWaalsContact O-CG1 3.3Å; H231-I235 WeakPolarHBondContact O-CG1 3.45Å; H231-I235 PolarHBondContact O-N 2.95Å; C232-I235 PolarHBondContact O-N 3.29Å; I235-R237 VanDerWaalsContact C-N 3.32Å; I235-R237 PolarHBondContact O-N 3.37Å; I235-N238 PolarHBondContact O-N 3Å; I235-Q239 WeakPolarHBondContact O-CG 3.47Å; I235-Q239 PolarHBondContact O-N 3.22Å |
| 236 | N | 84.7 | Confident | 84.7 | Confident | 89 Ų | 89 | 115.6 Ų | 115.6 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -36.6 | 179.6 | -66.2 | -16 | 0 | 0 | 0 | 112.4 | C232 N238 Q239 | C232-N236 WeakPolarHBondContact O-CB 3.36Å; C232-N236 PolarHBondContact O-N 3.05Å; C232-N236 PolarHBondContact O-ND2 3.4Å; N236-N238 VanDerWaalsContact C-N 3.33Å; N236-N238 PolarHBondContact O-N 3.22Å; N236-Q239 PolarHBondContact O-N 3.42Å |
| 237 | R | 85.1 | Confident | 84 | Confident | 192 Ų | 192 | 117.1 Ų | 117.1 | 73% | 0.725 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.4 | -38 | 175.7 | 178.3 | 175.4 | 173.1 | 145.5 | -0.2 | 112.5 | M233 L234 I235 Q239 | M233-R237 WeakPolarHBondContact O-CB 3.49Å; M233-R237 PolarHBondContact O-N 3.43Å; L234-R237 PolarHBondContact O-N 3.42Å; I235-R237 VanDerWaalsContact C-N 3.32Å; I235-R237 PolarHBondContact O-N 3.37Å; R237-Q239 VanDerWaalsContact C-N 3.28Å; R237-Q239 PolarHBondContact O-N 3.37Å |
| 238 | N | 79.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 121.3 Ų | 121.3 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.4 | -9 | -178.5 | -66.8 | -21.3 | 0 | 0 | 0 | 113.5 | L234 I235 N236 | L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.11Å; I235-N238 PolarHBondContact O-N 3Å; N236-N238 VanDerWaalsContact C-N 3.33Å; N236-N238 PolarHBondContact O-N 3.22Å |
| 239 | Q | 70.3 | Confident | 82.4 | Confident | 137 Ų | 137 | 125.9 Ų | 125.9 | 64% | 0.64 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -1.5 | 179.7 | -71.1 | 179.8 | 18.2 | 0 | 0 | 113.8 | I235 N236 R237 P241 | I235-Q239 WeakPolarHBondContact O-CG 3.47Å; I235-Q239 PolarHBondContact O-N 3.22Å; N236-Q239 PolarHBondContact O-N 3.42Å; R237-Q239 VanDerWaalsContact C-N 3.28Å; R237-Q239 PolarHBondContact O-N 3.37Å; Q239-P241 VanDerWaalsContact O-CD 3.26Å; Q239-P241 WeakPolarHBondContact O-CD 3.37Å |
| 240 | I | 62.8 | Low | 81.5 | Confident | 125 Ų | 125 | 124.3 Ų | 124.3 | 64% | 0.641 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -82.8 | 111.3 | 175.8 | -57.7 | 165.7 | 0 | 0 | 0 | 107.8 | M242 | I240-M242 PolarHBondContact O-N 2.81Š|
| 241 | P | 63 | Low | 80.3 | Confident | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 64% | 0.642 | S | S | * | * | trans | -64.4 | 130.3 | 170.3 | -10.9 | 27.5 | 0 | 0 | 0 | 108.4 | Q239 | Q239-P241 VanDerWaalsContact O-CD 3.26Å; Q239-P241 WeakPolarHBondContact O-CD 3.37Å | ||
| 242 | M | 58.1 | Low | 79.1 | Confident | 253 Ų | 253 | 128.5 Ų | 128.5 | 100% | 1.246 | 65% | 0.653 | S | S | * | * | trans | -60.3 | 0 | 169.1 | -74.8 | -73.9 | -63.9 | 0 | 0 | 111.5 | I240 | I240-M242 PolarHBondContact O-N 2.81Š|
Retrieved 242 of 242 residues in 167.4 ms
(Link to these results)